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From: "A.L. McCormack" <alm7203@u.washington.edu>


Subject: Anybody out there?
Date: 12 Jun 1995 19:44:31 GMT
Organization: UW

Is anybody out there?

I am getting ready to do H-D exchange of a protein followed by


micro-LC-ESI. Anyone have any general hints or suggestions?

Thanks.

Ashley L. McCormack, PhD


UW#

******************************************************************************
******************************************************************************

Date: Mon, 12 Jun 1995 19:25:16 -0400


From: kmurray@emory.edu (Kermit K. Murray)
Subject: Thanks David Bostwick!

I think that one of the first threads on this new group should be a thank
you to David Bostwick who got sci.techniques.mass-spec going. Thanks Dave!

K. Murray

---------------------------------------------------------------------
Kermit K. Murray Of. 404-727-2254
Emory University Lab 404-727-6534
Department of Chemistry Fax 404-727-6586
Atlanta, GA 30322 http://tswww.cc.emory.edu/~kmurray/
kmurray@emory.edu
---------------------------------------------------------------------

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From: mcbrp@leonis.nus.sg (Philp Robin John)


Subject: Peptide/Protein ionisation?
Date: 13 Jun 1995 03:40:01 GMT
Organization: National University of Singapore

Greetings to all,
I do not have a background in mass-spec but do get a few samples of
peptides and small proteins analysed by LC/MS to complement analysis by
conventional Edman chemistry in the determination of amino acid
sequenece.I usually carry out proteolytic digestion of proteins and
separate subsequent peptides by microbore LC before sequencing the
peptides.

When I have taken some of the collected peptide for LC/MS or direct
flow/MS analysis I only get about a 50% success rate in forming an ion.
One suggestion has been that I use trifluoroacetic acid(TFA) at 0.08% in
my LC solvents and this may be suppressing the ionisation and that it is
better to use formic acid.

Does anybody know of any comparisons of ion pair reagents used in


reversed-phase LC and the effect on ionisation? I have read many papers
in the area of peptide and protein analysis by LC/MS and most report the
use of TFA in their solvents.

Any ideas on this would be greatly appreciated.

Robin J. Philp
Institute of Molecular and Cell Biology
Singapore.

******************************************************************************
From: jbeale@reed.edu (Jay Beale)
Subject: Is there a digest yet?
Date: 13 Jun 1995 15:49:22 GMT
Organization: Reed College, Portland, Oregon

Has the sci.techniques.mass-spec mailing list digest begun yet?


--
-Jay Beale
jbeale@reed.edu
jbeale@epitope.com (not private, limited access)

******************************************************************************
From: jbeale@reed.edu (Jay Beale)
Subject: ?: HP5971 data quality control
Date: 13 Jun 1995 22:04:06 GMT
Organization: Reed College, Portland, Oregon

This is a question relating to quality control for data aquired using a


Hewlett-Packard 5971 mass spec. Some background: we are trying to
develop some SIM methods for validating results from ELISA optimization
experiments. Our method for the development of the chromatographic
methods is to analyze a set of standards, then make some change(s) in
data acquisition or sample prep, run the set of standards under the new
conditions, then compare the results from the two sets of standards. The
weakness in this method is that it assumes that the mass spec is
responding the same during each run. Unfortunately for us, some of our
samples cause the source to get dirty in a week or less, depending on
the usage and therefore we can't assume that we get the same response
from week to week. We can use the tuning parameters and tune results to
track some of the performance characteristics of the machine, such as
mass resolution, but getting a handle on signal-to-noise ratios has been
more difficult.
I have been contemplating running an external control, of our analytes
or other compounds producing the same ions, and tracking the machine's
response from week to week. I am wondering if the signal-to-noise ratio
can be determined from a single run in this way, i.e. is noise =
baseline and signal = absolute peak height for each ion?. It is obvious
that integration of the peaks in SIM mode does not give s-n information,
since the noise is subtracted when the data system draws the baseline
under the peak. Does anyone know whether it is possible to force the
data system (HP MSChemstation for Windows) to integrate the absolute
peak area, i.e. draw vertical lines from the peak start and stop down to
zero abundance and sum the area of the peak starting from "absolute"
zero?

Thanks for any input

Jay Beale
jbeale@reed.edu
jbeale@epitope.com
--
-Jay Beale
jbeale@reed.edu
jbeale@epitope.com (not private, limited access)

******************************************************************************
From: Heinrich Luftmann <luftman@uni-muenster.de>
Subject: TOF HV-switch
Date: 14 Jun 1995 11:15:26 GMT
Organization: Organisch Chemisches Institut d. Universitdt

--
Heinrich L.
Muenster -Germany

I am looking for an electronic circuit whitch is capabel to switch 2 KV


within some ns on a DC-level of about 20 KV. I want to use it in a TOF-MS
for delayed extraction.

Heinrich

******************************************************************************
From: jbeale@reed.edu (Jay Beale)
Subject: HP 5971 for quantitation; quality control question
Date: 13 Jun 1995 16:20:31 GMT
Organization: Reed College, Portland, Oregon

I've got some questions about setting up some sort of quality control
program for our Hewlett-Packard 5971 mass spec. We've been using it to
develop methods for quantitation of drugs of abuse and are freqently
performing analyses down near the limit of quantitation. Our method
development process is based on preparing a set of standards, analyzing
them, then making changes in sample prep or data acquisition parameters
and then running another set of standards under the new conditions. We
then compare the results of the two sets of standards to decide whether
the changes produced better results. This assumes that the mass spec was
in the same condition during the two runs, in particular as far as signal
to noise ratio. Lately we've had to run some samples which dirty the
source over the timespan of one week or less, so we can no longer assume
that the machine is performing the same from one run of standards to the
next.
I've been trying to come up with a routine which we can perform which will
give us some kind of quantitative insight into the machine's condition.
We had been obtaining qualitative data by looking at the lens ramps,
particularly the repeller ramp, but this is too subjective an indication
of the source condition for our needs. I've been contemplating making up
an external standard, possibly of PFTBA in some solvent, and running that.
I'd like to be able to extract signal-to-noise information from the external
standard, and have been wondering if baseline=noise and peak height (absolute,
not height above the baseline) is = to signal. Does this make sense?
For our purposes, signal-to-noise is really the only thing we need to keep
an eye on that is not already kept track of through our tuning process.

Thanks,
Jay Beale
jbeale@reed.edu
jbeale@epitope.com
--
-Jay Beale
jbeale@reed.edu
jbeale@epitope.com (not private, limited access)

******************************************************************************
From: jbeale@reed.edu (Jay Beale)
Subject: mailing list digest?
Date: 13 Jun 1995 22:05:43 GMT
Organization: Reed College, Portland, Oregon

Is there a mailing list digest for this newsgroup?

Jay Beale
jbeale@reed.edu
jbeale@epitope.com
--
-Jay Beale
jbeale@reed.edu
jbeale@epitope.com (not private, limited access)

******************************************************************************
From: "John Bartmess" <BARTMESS@novell.chem.utk.edu>
Organization: Univ. of Tenn. Dept. of Chemistry
Date: Wed, 14 Jun 1995 17:06:59 EST
Subject: A mailing list for STM-S
Priority: normal

This is information for readers of sci.techniques.mass-spec


(STM-S) to pass along to those who cannot read Netnews, for
whatever reason, but do have access to e-mail. There is a mailing
list being set up, that will remail the contents of STM-S to
anyone who wishes to subscribe. This mailing list is maintained at
the Chemistry Dept., University of Tennessee, Knoxville by John
Bartmess <bartmess@novell.chem.utk.edu>.

This list is "public," which means that anyone may subscribe. It


is also a one-way system, in that anything that subscribers want
posted to STM-S should be sent to the moderator of that group,
at <mass.spec@gatech.edu>.

Other than a subscription request, anything sent to this mailing


list at <maiser@novell.chem.utk.edu>, will go into the bit bucket.

Likewise, any requests to subscribe sent directly to me,


<bartmess@novell.chem.utk.edu>, will not be acted on. I welcome
personal e-mail *about* mass spec topics. {Ion Thermochemistry To
Go!}

The contents of the newsgroup will be mailed to subscribers as an


ascii file once to twice a week, depending on the posting level of
the newsgroup. Subscribers thus will not get each post on the
group separately, but many of them concatenated into one file.

To subscribe to this listserver, send a message to


<maiser@novell.chem.utk.edu> with
1. *no subject*, and
2. the *only* text being:

SUB STMSLIST

To unsubscribe, similarly send a message with the only text being:


UNSUB STMSLIST

Comments regarding STM-S should be sent to the Moderator of that


group, Dave Bostwick <mass.spec-request@chemistry.gatech.edu> if you
wish to keep them private, or to the Newsgroup itself
<mass.spec@gatech.edu>, if you wish to make them public.

John
--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=-=--=--=--=--=--=--=-
| John Bartmess | Organic Chem! || my opinions, being antithetical |
| Department of Chemistry || to "big time" football, cannot |
| University of Tennessee || be those of the Univ. of Tennessee|
| Knoxville TN 37996-1600 || "Anions are more fun!" |
| (615) 974-6578 Fax: 974-3454 || |
--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=-=--=--=--=--=--=--=--=-

******************************************************************************
From: topaz56@cyberg8t.com (BlueShift)
Subject: MALDI
Date: Wed, 14 Jun 1995 22:21:55
Organization: Cyberg8t

Anyone have some good MALDI stories?

******************************************************************************
******************************************************************************

From: pmayer@email.unc.edu (Paul Mayer)


Subject: this years ASMS meeting
Date: 15 Jun 1995 20:05:32 GMT
Organization: The University of North Carolina at Chapel Hill

Hello. I was interested in hearing people's comments on this year's ASMS


meeting. I was unable to attend this year and was curious to know how
things went. Any specific comments on fundamental vs analytic/biochem
content are particularly welcome.

Thanks Paul Mayer

******************************************************************************
From: mcope@ix.netcom.com (Michael Cope)
Subject: Portable Gas Chromatograph Mass Spectrometer
Date: 14 Jun 1995 15:49:41 GMT
Organization: Netcom
NNTP-Posting-Host: ix-dfw10-28.ix.netcom.com

Can anyone give me advice via email?

I am involved in the selection process for purchasing a GCMS which will


be used for Environmental and Materials sample analysis. It needs to
be portable and have high resolution. Currently we are looking at a
Viking Instruments model which is portable (if you are a gorilla), but
I want to insure that we are considering our alternatives. This is for
the Dallas Environmental Health Center.

Does anyone have equipment advice?

What other newsgroups should I ask?


What internet resources should I tap into to research this topic?

******************************************************************************
From: pmayer@email.unc.edu (Paul Mayer)
Subject: this years ASMS meeting
Date: 15 Jun 1995 20:05:32 GMT
Organization: The University of North Carolina at Chapel Hill

Hello. I was interested in hearing people's comments on this year's ASMS


meeting. I was unable to attend this year and was curious to know how
things went. Any specific comments on fundamental vs analytic/biochem
content are particularly welcome.

Thanks Paul Mayer

******************************************************************************
From: "Kermit K. Murray" <kmurray@emory.edu>
Subject: WWW Site for Mass Spectrometry
Date: 15 Jun 1995 23:02:37 GMT
Organization: Emory University Chemistry

I have a WWW site for mass spectrometry at

http://tswww.cc.emory.edu/~kmurray/mslist.html

It is searchable and has links to other MS web sites and resources. If


you have an MS site, send me the URL and I'll put it in the list.

Kermit K. Murray
kmurray@emory.edu
http://tswww.cc.emory.edu/~kmurray/

******************************************************************************
From: depauw@gw.unipc.ulg.ac.be (De Pauw Edwin)
Subject: Electrospray for the monitoring of photochemical reactions
Date: Mon, 19 Jun 1995 18:50:51 +0200
Organization: Liege University

ON LINE STUDY OF PHOTOCHEMICAL REACTIONS BY ELECTROSPRAY MASS SPECTROMETRY

Electrospray mass spectrometry is a very interesting tool for the study


of photochemical reactions in solution. The evolution of the nature and
the concentration of reactants, long lifetime intermediates and final
compounds can be unambiguously monitored. Two types of reactors directly
linked to the electrospray source of a quadrupole mass spectrometer have
been constructed and evaluated: a non stirred flow type reactor and a
static, stirred reactor. The photosubstitution of chlorine in
chlorpromazine has been choosen as a test reaction. The reaction has been
monitored in water/acetonitrile and in methanol solutions. The quenching
effect of oxygen has been measured by comparing kinetics in oxygen
saturated and outgassed solutions. From experiments in the static reactor,
rate constants have been obtained. From the rate constants, the behaviour
of the flow reactor has been modelled. Parameters such as the flow, the
lenght of the reactor can be easily controlled to obtain stationnary
states for specific compounds of different lifetimes.The flow reactor has
then been used to follow the addition reaction of methoxypsoralene with
thymine and oligonucleotides.
The direct monitoring of photochemical reactions by Electrospray mass
spectrometry appears to be an excellent tool for the quantification of
drugs photoactivity and to study their reaction mechanisms, particularly
their addition on bioploymers. We currently use it also for the estimation
of reaction yields in the destruction of toxic compounds in solution
(chlorinated phenols). It can also be used as a post column reactor for
specific labelling in HPLC detection by mass spectrometry.

******************************************************************************
From: "kasi V. Somayajula" <kasi@speedy.cs.pitt.edu>
Subject: Long due
Date: 16 Jun 1995 19:25:32 GMT
Organization: University of Pittsburgh

Welcome to the mass spec news group. I thank all the folks at
Georgia Tech for the efforts in bringing this news group. Let us
do some PEEKING.

Kasi

--
David E. Bostwick
Georgia Institute of Technology, Atlanta, GA, 30332
david.bostwick@chemistry.gatech.edu

******************************************************************************
******************************************************************************

From: gmt1810@trex.oscs.montana.edu (Mark Tarka)


Subject: Re: Electrospray for the monitoring of photochemical reactions
Date: Mon, 19 Jun 1995 22:45:35
Organization: Montana State University

In article <3s4ark$1fm@acmex.gatech.edu>, depauw@gw.unipc.ulg.ac.be (De Pauw Edwin)


writes:
>ON LINE STUDY OF PHOTOCHEMICAL REACTIONS BY ELECTROSPRAY MASS SPECTROMETRY

[Snip...]
>static, stirred reactor. The photosubstitution of chlorine in
>chlorpromazine has been choosen as a test reaction. The reaction has been
[Snip...]
>then been used to follow the addition reaction of methoxypsoralene with
>thymine and oligonucleotides.

> The direct monitoring of photochemical reactions by Electrospray mass


>spectrometry appears to be an excellent tool for the quantification of
>drugs photoactivity and to study their reaction mechanisms, particularly
>their addition on bioploymers. We currently use it also for the estimation

Err, I'm guessing here, but I was under the impression that
pharmaceuticals, injested, never saw the light of day. What is the
driving force behind this research (who funded it)?

>of reaction yields in the destruction of toxic compounds in solution

Now that's interesting.

>(chlorinated phenols). It can also be used as a post column reactor for


>specific labelling in HPLC detection by mass spectrometry.

Specific labelling...what? Feed an HPLC into an ESMS, sure.

Mark (Oops...there goes my future.....:)

Mark gmt1810@msu.oscs.montana.edu

******************************************************************************
From: gmt1810@trex.oscs.montana.edu (Mark Tarka)
Subject: Re: no subject (file transmission)
Date: Mon, 19 Jun 1995 22:54:50
Organization: Montana State University

In article <3s3rat$h8i@acmex.gatech.edu>, db32@prism.gatech.edu (David E. Bostwick)


writes:
[Snip...]
>article to improve its readability. When posting, please be sure your
>subject header is correct, and that your lines fit on a standard 80-column
>terminal.

Gee, I hope I don't generate a lot of static about this, but wouldn't
it be a good idea to limit one's line length to 70 charaters or less,
so quotations would be readable. Folks could set that limit for their
editors (that is, the software that allows them to write messages),
using some sort of "set" command (e.g. in VMS, "set right margin 70").

Mark

Mark gmt1810@msu.oscs.montana.edu
******************************************************************************
From: jbeale@reed.edu (Jay Beale)
Subject: Digest functioning?
Date: 20 Jun 1995 21:05:20 GMT
Organization: Reed College, Portland, Oregon

Hi all, glad to see this thing is finally up and running.


Does anyone know whether the mailing list digest for this
newsgroup is functioning? Some colleagues have e-mail only
and would like to follow the discussions...

-Jay Beale
jbeale@reed.edu
jbeale@epitope.com
--
-Jay Beale
jbeale@reed.edu
jbeale@epitope.com (not private, limited access)

******************************************************************************
From: "Terry L. Kaduce" <tkaduce@blue.weeg.uiowa.edu>
Subject: On Line Databases
Date: Tue, 20 Jun 1995 16:49:33 -0500
Organization: University of Iowa, Iowa City, IA, USA

Is there an on line database which I can use to compare my aquired


spectra with authentic standards? I working with fatty acid methyl
esters and arachidonic acid metabolites.

Thank you

Terry L. Kaduce
University of Iowa
Dept of Biochemistry
4-555 BSB
Iowa City, IA 52242
319/335-7914

******************************************************************************
From: "Rob O'Brien" <ro@iecems.lan.nrc.ca>
Subject: Negative Chemical Ionization - Discussion/Reference text
Date: 21 Jun 1995 01:16:18 GMT
Organization: National Research Council, Canada

I have recently posted this message in sci.chem.analytical. One reader


pointed
out that this would also be an appropriate place to post.

++++++++++++++++++++++++++++++++++++

This information text is being set up as a test project to evaluate the


feasibility of developing an online "living" reference source. Ideally,
information
contained within this document will be continuously challenged, reworked, and
rethought to produce a valuable up-to-date reference manual. Although, this
project
seems, at least to me, to be worthwhile as a general project, in order for me to be
able to spend time developing this I am focusing this text on my present research
topic Negative Chemical Ionization / Mass Spectroscopy.
======================================================
Preamble :
The following is a proposed table of contents for the NCI/MS
discussion/reference text. As a first step this table of contents is being posted
and readers will be asked to comment on it's format, produce short monograph's, or
suggest available electronic information sources on any or all of the subtopics
listed. Information can be forwarded to me or posted to the sci.chem.analytical
newsgroup. I would suggest that if submissions are posted to the newsgroup
that the subject line contain NCI-D/RT to indicate to other readers that is related
to this topic. Furthermore, an indication of which section is being discussed such
as 2A.1 for Electron Affinity would be of assistance.
Submissions and comments will be posted along with my own contributions near
the end of July, 1995.

Rob O'Brien
PHD Candidate, Carleton University
========================

Negative Chemical Ionization / Mass Spectroscopy

Table of Contents

1 Introduction and scope

2. Fundamentals
2A Thermodynamics
2A.1 Electron affinity
2B Kinetics
2C Reaction Mechanisms

3. Instrumentation
3A Ion Source requirements
3A.1 Measurement issues
3A.1A Pressure
3A.1B Temperature
3A.1C Electron density
3A.1D Ventilation rate
3B Instrument comparisons
3C Calibration methods
3D Sample introduction
3E Reagent systems
3E.1 Methane
3E.2 Ammonia
3E.3 Mixed gas systems

4. Analytical Applications
4A Detection limit improvement
4B Molecular weight determination
4C Structure determination
4D Isomer discrimination
5. Reviewed References
5A Journal Articles
5B Books
5C Electronic Information

Appendix I - Frequently encountered problems and solutions

Appendix II - Spectra data base

******************************************************************************
From: ihogben@tartarus.uwa.edu.au (Ian Hewlett Hogben)
Subject: Lamer Question: AMS and Archaeology
Date: 21 Jun 1995 03:39:15 GMT
Organization: The University of Western Australia

I apologise for the lamer question in what seems to be a largely academic


environment, but I am an archaeology student, and all texts I read for my
qustion go _way_ over my head.
I have been vexed by the problem of dating archaeological samples that
predate 40 000 years; the old method of radiocarbon dating would not be
reliable with samples older, as there was too little 14c to date
reiably. With the advent of AMS dating, I would have thought that this
date could be pushed back to, say, 60 000 years bp or earlier.
If it can, is this only theoretical? If so, why?
Thank you fer yer patience.
Aias.
=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-
|"A poem: a story in meter or rhyme." |
|'Ahh. `There once was a man from Nantucket...`' |
|"You've been talking to Garibaldi again, haven't you?" |
| -- Delenn and Sinclair, "The Gathering" Babylon5 |
=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-
| Aias. =-aka-= ihogben@tartarus.uwa.edu.au |
=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-

******************************************************************************
From: depauw@gw.unipc.ulg.ac.be (De Pauw Edwin)
Subject: www home page for mass spectrometry at liege university
Date: Wed, 21 Jun 1995 09:19:36 +0200
Organization: Liege University

I have a WWW site for mass spectrometry at

http://www.pne.ulg.ac.be/mslab/mslab.html

We start a collection of hints and tricks to help new (and others) users of mass
spectrometry to better use and understand this fascinating method. send me yours
and I'll put them in the records.

De Pauw Edwin
depauw@gw.unipc.ulg.ac.be
--
De Pauw Edwin
Mass Spectrometry Laboratory, B6
Chemistry Institute, Liege University
B4000-Liege Belgium
depauw@gw.unipc.ulg.ac.be

******************************************************************************
From: Heinrich Luftmann <luftman@uni-muenster.de>
Subject: High Voltage Switch
Date: 21 Jun 1995 08:23:35 GMT
Organization: Organisch Chemisches Institut d. Universitdt

I am looking for an electronic device whitch is capabel to switch 2kV DC


on a level of 20kV above ground. This must be done within some ns but
the current load is very small. I need such a device for my TOF mass
spectrometer to improve the resolution by delayed extraction of the laser
produced ions.
An electronic circuit or a commerical source would be helpful.
luftman@uni-muenster.de (Heinrich Luftmann)

******************************************************************************
From: kore@cityscape.co.uk (Steve Mullock)
Subject: Re: TOF HV-switch
Date: Wed, 21 Jun 1995 08:05:42 GMT
Organization: CityScape Internet Sevices

Heinrich Luftmann <luftman@uni-muenster.de> wrote:

>...looking for... electronic circuit whitch is capabel to switch 2 KV


>within some ns on a DC-level of about 20 KV. I want to use it in a TOF-MS
>for delayed extraction.

A company called Behlke offer a range of high voltage switch modules


which consist of stacks of CMOS switches. These can switch several kV
in about 5ns (If you're very careful with the rest of the layout) and
can be flaoted. The standard units float to 10kV but there are some
that go up to 30kV, best to talk details with them:

Behlke Electronic GmbH


tel: 069 733215
fax: 069 733179

By the way, we as a company have designed and built a variety of TOF


mass spectrometers and have a number of spectrometer modules that we
are happy to offer to those designing their own. For example, we have
developed a relatively inexpensive ion counting/timing electronics
unit that requires only an ordinary modestly endowed PC and a detector
to create time of flight spectra at high data rates (dead time 2ns,
sustained histogramming rate 5MHz). We are also happy to offer design
consultancy services on TOF MS or other UHV related problems. If you,
or any one else out there, would like further details or to receive
copies of our newsletter please get in touch.

Steve

Dr S.J. Mullock, Kore Technology Ltd.


291, Cambridge Science Park
Milton Road
Cambridge CB4 4WF
Tel: 44 (0) 1223 420840
Fax: 44 (0) 1223 426 041

******************************************************************************
From: "Kermit K. Murray" <kmurray@emory.edu>
Subject: Re: TOF HV-switch
Date: 21 Jun 1995 14:24:10 GMT
Organization: Emory University Chemistry

Heinrich Luftmann <luftman@uni-muenster.de> wrote:

>I am looking for an electronic circuit whitch is capabel to switch 2 KV


>within some ns on a DC-level of about 20 KV. I want to use it in a TOF-MS
>for delayed extraction.

There's a company in Ft. Collins, Colorado that sells high voltage switches
and pulsed power supplies:

Directed Energy, Inc.


2301 Research Blvd. Suite 101
Ft. Collind, CO 80526
Ph. 303-493-1901
Fax. 303-493-1903

I have one of their pulsers that will switch +/- 3kV with < 45 ns rise and
fall to > 10 kHz rep rate. It's not floatable, but you could put it in a
plexiglass box on an isolation transformer and trigger it with an optical
isolator. I am thinking of doing this myself, so if anyone knows where I can
get an isolation transformer that can hold off 20 to 30 kV, please let me
know.
Kermit

Kermit K. Murray
kmurray@emory.edu
http://tswww.cc.emory.edu/~kmurray/

******************************************************************************
From: "Kermit K. Murray" <kmurray@emory.edu>
Subject: Re: mailing list digest?
Date: 21 Jun 1995 14:51:07 GMT
Organization: Emory University Chemistry

jbeale@reed.edu (Jay Beale) wrote:


>
>Is there a mailing list digest for this newsgroup?
>
>Jay Beale
>jbeale@reed.edu
>jbeale@epitope.com (not private, limited access)
>
>[I'm not sure if John is going to keep copies of the mail he sends out
>from his listserver, but we will save old postings in a file here. It
>won't be an archive as such, and the old postings won't be around forever,
>but if you need info from a recent previous post, we (or John, if he has it)
>should be able to find it for you. - db]

I have been archiving the listserver posts for the the discussion group and
STMS in a searchable database available on WWW. The URL is reachable from the
MS page I have at http://tswww.cc.emory.edu/~kmurray/mslist.html (the one I
plugged in an earlier post). The search engine is a nice add-on to MacHTTP
and it is running on one of my lab Macintosh computers. I'll keep on
archiving server posts as much as time an disk space permits.

Kermit

Kermit K. Murray
kmurray@emory.edu
http://tswww.cc.emory.edu/~kmurray/

******************************************************************************
From: "John Bartmess" <BARTMESS@novell.chem.utk.edu>
Organization: Univ. of Tenn. Dept. of Chemistry
Date: Wed, 21 Jun 1995 11:11:54 EST
Subject: Re: Negative Chemical Ionization - Discussion/Reference text
Priority: normal

Rob O'Brien <ro@iecems.lan.nrc.ca> wrote, concerning topics for a


text or discussion on NCI:

>2. Fundamentals
> 2A Thermodynamics
> 2A.1 Electron affinity

Just to make you aware, there is a comprehensive and evaluated data


base of all electron affinities (and gas phase acidities and heats of
formation of negative ions and cluster thermochemistry...) in the
literature, put out as a data base by the US National Institute of
Standards and Technology, as Standard Reference Data Base 19B (19A,
bundled with it, contains all positive ion thermochemistry). This is
an ongoing project, with approximately biannual updates. Contact Joan
Sauerwein at NIST <SRDATA@enh.nist.gov> for ordering information. It
is PC based, but can be made to run on a Mac.
--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=-=--=--=--=--=--=--=-
| John Bartmess | Organic Chem! || my opinions, being antithetical |
| Department of Chemistry || to "big time" football, cannot |
| University of Tennessee || be those of the Univ. of Tennessee|
| Knoxville TN 37996-1600 || "Anions are more fun!" |
| (615) 974-6578 Fax: 974-3454 || |
--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=-=--=--=--=--=--=--=--=-

******************************************************************************
From: dpvw@iastate.edu (Dave P VanderWiel)
Subject: Anyone using SSITKA techniques?
Date: 21 Jun 1995 19:33:43 GMT
Organization: Iowa State University, Ames, Iowa USA
Originator: dpvw@eng3.iastate.edu

If there's anyone out there using steady-state isotopic transient analysis


(SSITKA) methods for studying catalysis and if they don't mind me bugging
them occasionally - let me know! I'm building a SSITKA apparatus for studying
Fischer-Tropsch synthesis, and I could really use some help.

Thanks!

Dave VanderWiel
Dept. Chemical Engineering
Iowa State University

******************************************************************************
From: schiller@prl.philips.nl (schiller c)
Subject: Can mass spect. resolve different bond types?
Organization: Philips Research Laboratories Eindhoven, Netherlands
Date: Thu, 22 Jun 1995 08:47:08 GMT

Does mass spectroscopy have the resolving power to measure mass


differences between compounds with the same chemical formula but with
different structure?

This requires a resolution of the order of 10^-10; such resolution would


allow to measure bond energies directly, by measuring the chemical mass
defect.

More simply, measuring the masses of H2, O2 (or better, H and 0) and
H20, one could determine their binding energy.

Is such a resolution attainable with state of the art systems?

Thanks

Christoph Schiller

Electronic mail address : schiller@prl.philips.nl

Postal address : Christoph Schiller, Philips Research Laboratories,


Building WY 41, Prof. Holstlaan 4, 5656AA Eindhoven, The Netherlands
tel +31-40-743360 or +31-40-743235, fax +31-40-743478
--

******************************************************************************
From: jesnow@geobar.mpch-mainz.mpg.de (Jonathan E. Snow)
Subject: Hello, mass spectrometric world.
Date: Thu, 22 Jun 1995 11:08:27 GMT
Organization: Max-Planck Institut fuer Chemie

I'm very happy the CFV went through and I'm grateful to whoever had
the initiative to put it through.

As an isotope geochemist, mass spectometry is the major tool I use in


my work on the radiogenic isotopes of Pb, Sr, Nd and Os. Mostly, the
technology of solid source mass spectrometers has been stable for
about the past 40 years, since the late AO Nier invented the magnetic
sector analyzer. Recently, there have been some new developments
which may change all that, and I hope to discuss that a little in this
space.

I'm now going to sit down and email as many people as I can think of
about the existence of this group.

Cheers,

jon.

----------------------------------------------------
Jonathan E. Snow
Max-Planck Institut fuer Chemie, Abt. Geochemie
Postfach 3060, D-55020 Mainz, Germany
jesnow@geobar.mpch-mainz.mpg.de
TEL:(01149) 6131 305 202 (or 281 to lv. msg.)
FAX:(01149) 6131 371 051
----------------------------------------------------

******************************************************************************
From: kore@cityscape.co.uk (Steve Mullock)
Subject: Re: Portable Gas Chromatograph Mass Spectrometer
Date: Thu, 22 Jun 1995 10:40:02 GMT
Organization: CityScape Internet Sevices

mcope@ix.netcom.com (Michael Cope) wrote:

>I am involved in the selection process for purchasing a GCMS which will
>be used for Environmental and Materials sample analysis. It needs to
>be portable and have high resolution. Currently we are looking at a
>Viking Instruments model which is portable (if you are a gorilla), but
>I want to insure that we are considering our alternatives. This is for
>the Dallas Environmental Health Center.

Dear Michael

I saw on the mass spec newsgroup that you were in the process of
selecting a portable GCMS. You may not be aware that we are developing
portable time-of-flight mass spectrometers here at Kore. We will have
prototypes ready for field trials around late August this year. These
will not have GC interfaces fitted however as they fit into suitcases
suitable for in cabin flight storage you do not need gorilla-like
strength to carry them.If you would like more information or even
perhaps to participate in these trials can you give us your telephone
number and postal address so that we can contact you.

Barrie Griffiths
tel +44 1223 420840
Kore Technology Ltd, Cambridge Science Park, Cambridge CB4 4WF,UK.

--
Dr S.J. Mullock
Kore Technology Ltd.
291, Cambridge Science Park
Milton Road
Cambridge CB4 4WF
UK
Tel: 44 (0) 1223 420840
Fax: 44 (0) 1223 426041

******************************************************************************
From: "Margaret P. Ricci" <isotopes@indiana.edu>
Subject: WWW page for isotope ratio monitoring-GCMS
Date: 22 Jun 1995 14:53:29 GMT
Organization: Indiana University, Bloomington

I'm sure glad someone started up this newsgroup - it has saved me a


lot of trouble. Thanks. There is a home page for isotope ratio
monitoring-gas chromatography mass spectrometry. This technique is
branching out in a thousand directions at the moment. The home page
includes a description of the technique as applied specifically to
CO2 as well as an EXTENSIVE bibliography which will give the surfer
a good idea of what the technique is being used for and where it is
going. There is also a lot of specific information for users of the
technique - software updates, documentation and so on.

Here's the URL:

http://silver.ucs.indiana.edu/~isotopes/home.html

Drop by for a visit.

Margaret P. Ricci
isotopes@indiana.edu
******************************************************************************
From: pggreen@cco.caltech.edu (Peter G. Green)
Subject: ICP-MS Analyses Service?
Followup-To: sci.techniques.mass-spec
Date: Thu, 22 Jun 95 15:26:57 GMT
Organization: Caltech (Environmental Engineering Science)

Howdy,

I'm looking for recommendations of commercial services that will do


ICP-MS analyses. US and/or Canada preferred. Needing pbb and ppt
performance.

Email and/or post.

Thanks in advance,
-Peter Green

^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
Peter G. Green, Ph. D. Senior Scientist
Keck 201 <= on foot (818) 395-3787
Caltech 138-78 <= mail/UPS fax: -3170
Pasadena, CA 91125 USA or -2940
pggreen@cco.caltech.edu Environmental Eng. Sci.
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^

******************************************************************************
Date: Tue, 20 Jun 95 16:40:56 0400
From: "Kermit K. Murray" <kmurray@emory.edu>
Organization: Emory University Chemistry
Subject: Re: Can the chemical mass defect be measured by weighing ?

I'm forwarding this to sci.techniques.mass-spec. Cross-post replies to


sci.chem and sci.physics.

Joel Polowin <polowin@hyper.com> wrote:


>vanesch@dice2.desy.de (Patrick P. E. Esch) wrote:
>
>> Howdy ! Sorry, but the "energy released in a chemical reaction"
>> has a mass defect just as well as the nuclear variety.
>> Meaning: YES, H2O is a little bit lighter than 1/2(2 H2 + 02).
>> And the difference in weight would be dm = dE / c2 with dE the
>> amount of energy released by burning H2.
>> Only, as the masses of the atoms are of the order of 1GeV
>> and the energy of the order of a few eV, this would be a
>> 10-9 effect, and I don't think it is possible to weight something
>> with an accuracy of 10 digits.
>
>I have been told that some mass-spectroscopy group is able to measure
>a mass difference between, say, a structure with a double bond and
>the same atoms arranged in a cyclic structure, because of the
>difference in bond energies. I remain profoundly skeptical, for
>reasons similar to your calculation above.
>
>Then again, Mossbauer spectroscopy works by doppler-shifting gamma
>radiation (3E8 m/s) by amounts on the order of a few cm per second
>(~3E-2 m/s). I won't simply dismiss these claims out of hand.
>
>Joel
>polowin@hyper.com
>http://www.hyper.com
>

Kermit K. Murray
kmurray@emory.edu
http://tswww.cc.emory.edu/~kmurray/

******************************************************************************
Date: Tue, 20 Jun 95 16:40:56 0400
From: "Kermit K. Murray" <kmurray@emory.edu>
Organization: Emory University Chemistry
Subject: Re: Can the chemical mass defect be measured by weighing ?

I'm forwarding this to sci.techniques.mass-spec. Cross-post replies to


sci.chem and sci.physics.

Joel Polowin <polowin@hyper.com> wrote:


>vanesch@dice2.desy.de (Patrick P. E. Esch) wrote:
>
>> Howdy ! Sorry, but the "energy released in a chemical reaction"
>> has a mass defect just as well as the nuclear variety.
>> Meaning: YES, H2O is a little bit lighter than 1/2(2 H2 + 02).
>> And the difference in weight would be dm = dE / c2 with dE the
>> amount of energy released by burning H2.
>> Only, as the masses of the atoms are of the order of 1GeV
>> and the energy of the order of a few eV, this would be a
>> 10-9 effect, and I don't think it is possible to weight something
>> with an accuracy of 10 digits.
>
>I have been told that some mass-spectroscopy group is able to measure
>a mass difference between, say, a structure with a double bond and
>the same atoms arranged in a cyclic structure, because of the
>difference in bond energies. I remain profoundly skeptical, for
>reasons similar to your calculation above.
>
>Then again, Mossbauer spectroscopy works by doppler-shifting gamma
>radiation (3E8 m/s) by amounts on the order of a few cm per second
>(~3E-2 m/s). I won't simply dismiss these claims out of hand.
>
>Joel
>polowin@hyper.com
>http://www.hyper.com
>

Kermit K. Murray
kmurray@emory.edu
http://tswww.cc.emory.edu/~kmurray/

******************************************************************************
Date: Tue, 20 Jun 1995 17:42:35 +0200
From: depauw@gw.unipc.ulg.ac.be (Edwin De Pauw)
Subject: Re: Electrospray for the monitoring of photochemical reactions

In article (Dans l'article) <3s6f6e$1nu@acmex.gatech.edu>,


gmt1810@trex.oscs.montana.edu (Mark Tarka) wrote (=E9crivait) :

> In article <3s4ark$1fm@acmex.gatech.edu>, depauw@gw.unipc.ulg.ac.be (De Pa=


uw
>Edwin) writes:
> >ON LINE STUDY OF PHOTOCHEMICAL REACTIONS BY ELECTROSPRAY MASS SPECTROMETR=
Y
>
> [Snip...]
> >static, stirred reactor. The photosubstitution of chlorine in
> >chlorpromazine has been choosen as a test reaction. The reaction has been
> [Snip...]
> >then been used to follow the addition reaction of methoxypsoralene with
> >thymine and oligonucleotides.
>
> > The direct monitoring of photochemical reactions by Electrospray mass
> >spectrometry appears to be an excellent tool for the quantification of
> >drugs photoactivity and to study their reaction mechanisms, particularly
> >their addition on bioploymers. We currently use it also for the estimatio=
n
>
> Err, I'm guessing here, but I was under the impression that
> pharmaceuticals, injested, never saw the light of day. What is the
> driving force behind this research (who funded it)?
>
> >of reaction yields in the destruction of toxic compounds in solution
>
> Now that's interesting.
>
> >(chlorinated phenols). It can also be used as a post column reactor for
> >specific labelling in HPLC detection by mass spectrometry.
>
> Specific labelling...what? Feed an HPLC into an ESMS, sure.
>
>
> Mark (Oops...there goes my future.....:)
>
> Mark gmt1810@msu.oscs.montana.edu

Chlorpromazine has a secondary effect in opacifying the cornea where I


suppose light is going to. Other similar compounds are used as
phototherapeutic drugs (skin treatment). Ingestion is surely not the only
way to administrate drugs.

Post column derivatization is often used to increase detection sensitivity


and selectivity. The postcolumn photoaddition can be used to selectively
label the photoreactive compound before its entrance into the ion source.
Coupled with a MS/MS scan, it allows the specific detection of the target
compound or its quantification by MRM (multiple reaction monitoring)

De Pauw Edwin
Laboratoire de Spectrom=E9trie de Masse
Universit=E9 de Liege B4000-Liege Belgium
Tel 00.32.41.663435 FAX 00.32.41.663413
email depauw@gw.unipc.ulg.ac.be
www:http://www.pne.ulg.ac.be/mslab/mslab.html

******************************************************************************
Date: Tue, 20 Jun 95 16:40:56 0400
From: "Kermit K. Murray" <kmurray@emory.edu>
Organization: Emory University Chemistry
Subject: Re: Can the chemical mass defect be measured by weighing ?

I'm forwarding this to sci.techniques.mass-spec. Cross-post replies to


sci.chem and sci.physics.

Joel Polowin <polowin@hyper.com> wrote:


>vanesch@dice2.desy.de (Patrick P. E. Esch) wrote:
>
>> Howdy ! Sorry, but the "energy released in a chemical reaction"
>> has a mass defect just as well as the nuclear variety.
>> Meaning: YES, H2O is a little bit lighter than 1/2(2 H2 + 02).
>> And the difference in weight would be dm = dE / c2 with dE the
>> amount of energy released by burning H2.
>> Only, as the masses of the atoms are of the order of 1GeV
>> and the energy of the order of a few eV, this would be a
>> 10-9 effect, and I don't think it is possible to weight something
>> with an accuracy of 10 digits.
>
>I have been told that some mass-spectroscopy group is able to measure
>a mass difference between, say, a structure with a double bond and
>the same atoms arranged in a cyclic structure, because of the
>difference in bond energies. I remain profoundly skeptical, for
>reasons similar to your calculation above.
>
>Then again, Mossbauer spectroscopy works by doppler-shifting gamma
>radiation (3E8 m/s) by amounts on the order of a few cm per second
>(~3E-2 m/s). I won't simply dismiss these claims out of hand.
>
>Joel
>polowin@hyper.com
>http://www.hyper.com
>

Kermit K. Murray
kmurray@emory.edu
http://tswww.cc.emory.edu/~kmurray/
******************************************************************************
Date: Thu, 22 Jun 1995 23:31:15 +0000 (GMT)
From: ddxdd@IMAP1.ASU.EDU
Subject: Re: TOF HV-switch
Organization: daves not here

Heinrich Luftmann (luftman@uni-muenster.de) wrote:

: --
: Heinrich L.
: Muenster -Germany

: I am looking for an electronic circuit whitch is capabel to switch 2 KV


: within some ns on a DC-level of about 20 KV. I want to use it in a TOF-MS
: for delayed extraction.

: Heinrich

try contacting Behlke Electonic GmbH, Postisch 190249, D-60069,


Frankfurt, phone 069733218. they make what you are looking for, but
it does come at a hefty price. we have found that their switches also
seem to be fragile with respect to damage caused by discharges.

-d^2

******************************************************************************
From: rjnemery@uniwa.uwa.edu.au (Neil Emery)
Subject: MS for ureides?
Date: 23 Jun 1995 07:47:49 GMT
Organization: The University of Western Australia

We are botanists, using a HP 5970 MSD in series with a HP 5890 GC.


So far we have analyzed most amino acids, and we are now interested
in analyzing the ureides (allantoin, allantoic acid, etc). Has anyone
out there ever analyzed these compounds, and thus would be able to
advise us on expected spectra, of any sort of derivatized ureides?

We've noticed that some medical labs have done so, but in the methods
of published works, the details of the mass spec work are not mentioned.

Grateful for any response.


Sincerely
Neil Emery

******************************************************************************
From: pzadoroz@wimsey.com (Peter Zadorozny)
Subject: Re: ICP-MS Analyses Service?
Date: Fri, 23 Jun 1995 07:55:43 -0800
Organization: GVRD
In article <3sc6ip$t0r@acmex.gatech.edu>, pggreen@cco.caltech.edu (Peter
G. Green) wrote:

> Howdy,
>
> I'm looking for recommendations of commercial services that will do
> ICP-MS analyses. US and/or Canada preferred. Needing pbb and ppt
> performance.

Try Elemental Research Inc


309-267 West Esplanade North Vancouver B.C. Canada
Phone (604) 986-0445 Fax (604) 986-0071

I know they have been around for year doing ICP-MS , never used them but
have been through their lab, very nice set up.

I think they have a good reputation.

Peter

******************************************************************************
From: Kevin.R.Boyce@gsfc.nasa.gov (Kevin R. Boyce)
Subject: Re: Can mass spect. resolve different bond types?
Date: Fri, 23 Jun 1995 13:19:47 -0400
Organization: NASA Goddard Space Flight Center -- Greenbelt, Maryland USA

In article <3sbpml$d5t@acmex.gatech.edu>,
schiller@prl.philips.nl (schiller c) wrote:

>Does mass spectroscopy have the resolving power to measure mass


>differences between compounds with the same chemical formula but with
>different structure?
>
>This requires a resolution of the order of 10^-10; such resolution would
>allow to measure bond energies directly, by measuring the chemical mass
>defect.
>
>Is such a resolution attainable with state of the art systems?

Well, 10^-10 is achievable with Single-Ion Cyclotron Resonance. See, for


example, the latest paper from the MIT ICR gang:

DiFilippo et al, _Accurate Atomic Masses for Fundamental Metrology_, PRL,


vol 73, pp. 1481-1484 (1994)

But you need to do better than that to measure bond energies with any
accuracy. Rest assured that the ICR folks are working toward just that
goal. It's not exactly off-the-shelf equipment, though... :-)
--
Kevin Kevin.R.Boyce@gsfc.nasa.gov
"Well I'm not really familiar with that study." --Paul Brodeur

******************************************************************************
From: jbeale@reed.edu (Jay Beale)
Subject: Re: mailing list digest?
Date: 23 Jun 1995 17:35:43 GMT
Organization: Reed College, Portland, Oregon

In article <3s9c0a$3mt@acmex.gatech.edu>,
Kermit K. Murray <kmurray@emory.edu> wrote:
>
>I have been archiving the listserver posts for the the discussion group and
>STMS in a searchable database available on WWW. The URL is reachable from the
>MS page I have at http://tswww.cc.emory.edu/~kmurray/mslist.html (the one I
>plugged in an earlier post). The search engine is a nice add-on to MacHTTP
>and it is running on one of my lab Macintosh computers. I'll keep on
>archiving server posts as much as time an disk space permits.

Thanks-
Been there once and it looks good!
-Jay Beale
jbeale@reed.edu
--
-Jay Beale
jbeale@reed.edu
jbeale@epitope.com (not private, limited access)

******************************************************************************
From: dhachey@bcm.tmc.edu
Subject: Re: Hello, mass spectrometric world.
Date: 23 Jun 1995 20:17:11 GMT
Organization: Baylor College of Medicine

> jesnow@geobar.mpch-mainz.mpg.de (Jonathan E. Snow) writes:


> I'm very happy the CFV went through and I'm grateful to whoever had
> the initiative to put it through.
>
> As an isotope geochemist, mass spectometry is the major tool I use in
> my work on the radiogenic isotopes of Pb, Sr, Nd and Os. Mostly, the
> technology of solid source mass spectrometers has been stable for
> about the past 40 years, since the late AO Nier invented the magnetic
> sector analyzer. Recently, there have been some new developments
> which may change all that, and I hope to discuss that a little in this
> space.

[Snip, snip]

>>>>

Jon;

I think many of us in the isotope business mourn the passing of Al Nier. I


agree with your statement
that the basic design isotope ratio magnetic sector has remained unchanged for a
while. I think most of us
would also agree that improvements in collector geometry (i.e., multicollectors),
electromics, and data systems
have improved our lot over the past 20 yr or so. Those of us in the biomedical
arena probably don't have
the same perspective as geochemists, however.
Please discuss your ideas on improvements in isotope ratio measurements. That's
what this forum is for.

Regards, Dave Hachey

******************************************************************************
From: "Thomas A. Lehman" <tal001@acpub.duke.edu>
Subject: Re: Can the chemical mass defect be measured by weighing ?
Date: Fri, 23 Jun 1995 18:52:44 -0400
Organization: Duke University, Durham, NC, USA
In-Reply-To: <3scica$kje@acmex.gatech.edu>

On 22 Jun 1995, Kermit K. Murray wrote:

> Date: 22 JUN 1995 16:04:26 -0400


> From: Kermit K. Murray <kmurray@emory.edu>
> Newgroups: sci.techniques.mass-spec, sci.chem, sci.physics
> Subject: Re: Can the chemical mass defect be measured by weighing ?
>
> I'm forwarding this to sci.techniques.mass-spec. Cross-post replies to
> sci.chem and sci.physics.
>
> Joel Polowin <polowin@hyper.com> wrote:
> :vanesch@dice2.desy.de (Patrick P. E. Esch) wrote:
> :
> :: Howdy ! Sorry, but the "energy released in a chemical reaction"
> :: has a mass defect just as well as the nuclear variety.
> :: Meaning: YES, H2O is a little bit lighter than 1/2(2 H2 + 02).
> :: And the difference in weight would be dm = dE / c2 with dE the
> :: amount of energy released by burning H2.
> :: Only, as the masses of the atoms are of the order of 1GeV
> :: and the energy of the order of a few eV, this would be a
> :: 10-9 effect, and I don't think it is possible to weight something
> :: with an accuracy of 10 digits.
> :
> :I have been told that some mass-spectroscopy group is able to measure
> :a mass difference between, say, a structure with a double bond and
> :the same atoms arranged in a cyclic structure, because of the
> :difference in bond energies. I remain profoundly skeptical, for
> :reasons similar to your calculation above.
> :
> :Then again, Mossbauer spectroscopy works by doppler-shifting gamma
> :radiation (3E8 m/s) by amounts on the order of a few cm per second
> :(~3E-2 m/s). I won't simply dismiss these claims out of hand.
> :
> :Joel
> :polowin@hyper.com
> :http://www.hyper.com
> :
>
> Kermit K. Murray
> kmurray@emory.edu
> http://tswww.cc.emory.edu/~kmurray/
>
IT HAS BEEN AT LEAST TWO YEARS since I last heard Alan Marshall speak or
read his work in current journals. The measurement in question is "the
holy grail" in his lab, and at last report he was within a power of ten
of success, if my memory is correct. This is a quick reply -- I have not
tried to get my hands on a lit reference. But he may have put this in
print in an article on Fourier transform mass spectrometry in Analytical
Chemistry within the past three years.

Thomas Lehman
Duke University Med Center Mass Spectrometry Lab

******************************************************************************
From: mcbrp@leonis.nus.sg (Philp Robin John)
Subject: Peptide/Protein ionisation?
Date: 24 Jun 1995 03:08:12 GMT
Organization: National University of Singapore
Summary:
Keywords:

Greetings,
Good to see this digest up and running, great job.

As a non MS user but one that has samples analysed by this technique
(electrospray/API/LC/MS) I would like to seek info.

My work involves the isolation of peptides and proteins for sequence


analysis using chemical degredation techniques. Most proteins are
digested in-gel and peptides separated using micro-reversed phase HPLC. I
almost always use Trifluoroacetic acid as an ion pair reagent in the
eluting solvents (water for A and acetonitrile for B) as this gives an
excellent separation. However, I don't get much success when I submit a
small amount of each fraction for MS analysis. If I have already carried
out a separation the samples are usually applied by flow injection in 60%
ACN. One reason offered is that TFA suppreses ionization of the peptide
and formic acid would be better. I can switch to this but have read many
references for this work being carried out perfectly well in TFA.

Does anybody have any thoughts or comments on this effect that would be
happy to post? It would be very useful to obtain mass data on the
peptides before sequencing so as to help in full analysis.

Apologies if this has appeared before but I posted a similar message


before this link was fully up and running and I think it may have got lost!

Many thanks.

Robin J. Philp
Institute for Molecular and Cell Biology
Singapore.

******************************************************************************
From: gmt1810@trex.oscs.montana.edu (Mark Tarka)
Subject: Re: Anybody out there?
Date: Sat, 24 Jun 1995 22:40:18
Organization: Montana State University
In article <3s3v2o$pnt@acmex.gatech.edu>, "A.L. McCormack"
<alm7203@u.washington.edu> writes:
[Snip...]
>I am getting ready to do H-D exchange of a protein followed by
>micro-LC-ESI. Anyone have any general hints or suggestions?
[Snip...]

Hove you talked with the NMR people (H-D exchange is a routine deal)?

Mark gmt1810@msu.oscs.montana.edu

******************************************************************************
From: depauw@gw.unipc.ulg.ac.be (De Pauw Edwin)
Subject: peptides sequencing
Date: Mon, 26 Jun 1995 15:09:04 +0200
Organization: Liege University

Oligopeptides sequencing can be performed using liquid SIMS or


electrospray ionization. If the interpretation of spectra of known
compounds is easy, structure determination of unknowns is however
not so direct. Fragmentation does not often give all the structural
information needed. Two methods can then be used: the brutal force
or MS/MS. The brutal force means fitting the spectra on the basis of
the amino acids combinations. If their nature can be deduced from the
low mass iminium fragments, the task is simplified. The other way is
the use of MS/MS. Daughter ion spectra are usually employed. We used
in addition the fact that b-a ions are often present to selectively
pick the b-a transition by constant neutral loss of CO. This scan
labels the fragments as b ones. In electrospray, multiply charged ions
are the source of most fragments. We recently observed the loss of CO
and water from doubly charged ions on a triple quadrupole instrument, resulting,
as expected, from the apparent loss of half the mass monitored (double charge). In
sector instruments, the same sample gaves not
the same results. We think that calibration of linked scans do not work
for losses from multiply charged ions. Before to start ourselves
the scans calculation, we would like to know if someone already made
the job.
Thanks

--
De Pauw Edwin
Mass Spectrometry Laboratory, B6
Chemistry Institute, Liege University
B4000-Liege Belgium
depauw@gw.unipc.ulg.ac.be

******************************************************************************
From: jts@sage.cc.purdue.edu (Jon Schwedler)
Subject: Re: Peptide/Protein ionisation?
Date: 26 Jun 1995 11:42:55 -0500

mcbrp@leonis.nus.sg (Philp Robin John) writes:

>Greetings,
>Good to see this digest up and running, great job.

>As a non MS user but one that has samples analysed by this technique
>(electrospray/API/LC/MS) I would like to seek info.

>My work involves the isolation of peptides and proteins for sequence
>analysis using chemical degredation techniques. Most proteins are
>digested in-gel and peptides separated using micro-reversed phase HPLC. I
>almost always use Trifluoroacetic acid as an ion pair reagent in the
>eluting solvents (water for A and acetonitrile for B) as this gives an
>excellent separation. However, I don't get much success when I submit a
>small amount of each fraction for MS analysis. If I have already carried
>out a separation the samples are usually applied by flow injection in 60%
>ACN. One reason offered is that TFA suppreses ionization of the peptide
>and formic acid would be better. I can switch to this but have read many
>references for this work being carried out perfectly well in TFA.

>Does anybody have any thoughts or comments on this effect that would be
>happy to post? It would be very useful to obtain mass data on the
>peptides before sequencing so as to help in full analysis.

>Apologies if this has appeared before but I posted a similar message


>before this link was fully up and running and I think it may have got lost!

>Many thanks.

>Robin J. Philp
>Institute for Molecular and Cell Biology
>Singapore.

Before my research group scampered away to another university, they


typically dried their peptides down, then re-constituted with water
(0.1%TFA). Hope it helps!

JT

******************************************************************************
From: jts@sage.cc.purdue.edu (Jon Schwedler)
Subject: Re: Peptide/Protein ionisation?
Date: 26 Jun 1995 11:42:55 -0500

mcbrp@leonis.nus.sg (Philp Robin John) writes:

>Greetings,
>Good to see this digest up and running, great job.

>As a non MS user but one that has samples analysed by this technique
>(electrospray/API/LC/MS) I would like to seek info.

>My work involves the isolation of peptides and proteins for sequence
>analysis using chemical degredation techniques. Most proteins are
>digested in-gel and peptides separated using micro-reversed phase HPLC. I
>almost always use Trifluoroacetic acid as an ion pair reagent in the
>eluting solvents (water for A and acetonitrile for B) as this gives an
>excellent separation. However, I don't get much success when I submit a
>small amount of each fraction for MS analysis. If I have already carried
>out a separation the samples are usually applied by flow injection in 60%
>ACN. One reason offered is that TFA suppreses ionization of the peptide
>and formic acid would be better. I can switch to this but have read many
>references for this work being carried out perfectly well in TFA.

>Does anybody have any thoughts or comments on this effect that would be
>happy to post? It would be very useful to obtain mass data on the
>peptides before sequencing so as to help in full analysis.

>Apologies if this has appeared before but I posted a similar message


>before this link was fully up and running and I think it may have got lost!

>Many thanks.

>Robin J. Philp
>Institute for Molecular and Cell Biology
>Singapore.

Before my research group scampered away to another university, they


typically dried their peptides down, then re-constituted with water
(0.1%TFA). Hope it helps!

JT

******************************************************************************
From: "kasi V. Somayajula" <kasi@speedy.cs.pitt.edu>
Subject: Re: ICP-MS Analyses Service?
Date: 26 Jun 1995 20:37:14 GMT
Organization: University of Pittsburgh

pggreen@cco.caltech.edu (Peter G. Green) wrote:


>Howdy,
>
>I'm looking for recommendations of commercial services that will do
>ICP-MS analyses. US and/or Canada preferred. Needing pbb and ppt
>performance.
>
>

I know one company that can help you

ANTECH Ltd in Pittsburgh


ONE TRIANGLE DRIVE
EXPORT, PA 15632

1-800-78-EARTH

Good Luck

Kasi

******************************************************************************
From: raj@alumni.caltech.edu (Roger Moore)
Subject: Re: Peptide/Protein ionisation?
Date: 26 Jun 1995 22:01:39 GMT
Organization: California Institute of Technology, Pasadena

mcbrp@leonis.nus.sg (Philp Robin John) writes:

>As a non MS user but one that has samples analysed by this technique
>(electrospray/API/LC/MS) I would like to seek info.

>My work involves the isolation of peptides and proteins for sequence
>analysis using chemical degredation techniques. Most proteins are
>digested in-gel and peptides separated using micro-reversed phase HPLC. I
>almost always use Trifluoroacetic acid as an ion pair reagent in the
>eluting solvents (water for A and acetonitrile for B) as this gives an
>excellent separation. However, I don't get much success when I submit a
>small amount of each fraction for MS analysis. If I have already carried
>out a separation the samples are usually applied by flow injection in 60%
>ACN. One reason offered is that TFA suppreses ionization of the peptide
>and formic acid would be better. I can switch to this but have read many
>references for this work being carried out perfectly well in TFA.

The MS lab where I work does just fine using TFA sltns. In fact, they do
quite well with a capillary column HPLC feeding directly into the ESI for
our triple quads, and that uses TFA as an ion pair reagent. I wouldn't
think that the TFA would be a problem.

--
Raj
Master of Meaningless Trivia

******************************************************************************
From: wendyab@mail.utexas.edu
Subject: HELP!! Arachidonic Acid and Deuterium
Date: 27 Jun 1995 01:11:48 GMT
Organization: The University of Texas at Austin

I need to find a GCMS method for determining synthesis of arachidonic acid


that uses incorporation of deuterium labeling. I've found a few things on
synthesizing deuterated arachidonic acid, but nothing on which ions to
monitor, etc. If I can't find a method, I have to do something else for
my thesis project. HELP!!! Thank you in advance for any help you may have.

******************************************************************************
From: mroz@Lanl.GOV (Eugene Mroz)
Subject: Slurry Analysis by ICP/MS or ICP/AES
Date: Tue, 27 Jun 1995 08:14:09 -0700
Organization: Los Alamos National Laboratory

Does anyone have experience with analzying aqueous slurries of NIST SRM
1648 (Urban Particulate) by ICP/MS or ICP/AES methods? I'd like to hear
about your experiences and results. I've been trying-but with little
success. Thanks!

--
Gene Mroz + Voice: 505-667-7758
Chemical Science and Technology Division + Fax: 505-665-4955
Mail Stop: J514 + E-Mail: mroz@lanl.gov
Los Alamos National Laboratory
Los Alamos, NM 87545

"There is something fascinating about science. One gets such wholesale returns of
conjecture out of such a trifling investment of fact"--Mark Twain from Life on the
Mississippi

******************************************************************************
From: dip@hubcap.clemson.edu
Subject: Selected Ion Monitoring v. Extracted Ion
Date: 27 Jun 1995 14:49:38 GMT
Organization: bizzzarro rancho

I am using a HP 5890/5971MSD to look at pyrrolic nitrogen heterocycles in


crude oil.

My problem is this: when using SIM to monitor alkylated three and four ring
compounds, I find that as the amount of alkylation increases(ie from C1 to C2,
etc.) that I'm getting each new peak in addition to those already being monitored.
This mixture is extremely complex, with many isomers of each and up to
C11-carbazoles and C8-benzocarbazoles present above my current detection
limits. These compounds do not all elute in order of alkylation/mass
(seems obvious you say), so I can't "turn one ion off" while "turning another ion
on". Basically, I need to monitor for all of the various alkylated ions of
carbazole(181,195,209,223,etc.) over a 12 minute window and then all of the
alkylated isomers of benzocarbazole over a diffent, later 15 minute window of
elution. But this doesn't allow me to determine if the peaks are one compound
or two different alkylated species(eg C3 and C4).

My question: What is the difference between Extracted ion monitoring from the
TIC and SIM in terms of data quality? Is Extracted Ion as "good" as SIM? If I use
Extracted Ion on my standards, shouldn't that behave the same as SIM of the
standards?

sorry this is rather jumbled and not all that clear(late night last night, but
aren't
they all?) I'd be more than willing to reference any help given in my thesis. also
any good references would be appreciated. admittedly, I'm still in the process
of searching the literature on this subject, so try not to flame me for missing
something obvious. I'm really looking mostly for personal experiences here.

Gracias,
dip
"Help! Help! I'm being repressed! / Come and see the violence inherent in the
system!!"

******************************************************************************
From: KKM <kmurray@emory.edu>
Subject: Re: this years ASMS meeting
Date: 27 Jun 1995 21:42:11 GMT
Organization: Emory University Chemistry

This was posted in sci.chem a few weeks ago. Somewhat off-topic, but
it was part of an ASMS plenary talk.

[begin paste]
Subject: (fwd) Top Ten reasons Network Producers don't give science
more air time!

At the latest ASMS meeting in Atlanta GA Miles O'Brien presented to


us:

FROM THE HOME OFFICE IN LOS ALAMOS, NEW MEXICO, THE TOP
TEN REASONS NETWORK NEWS PRODUCERS DON'T GIVE SCIENCE MORE AIR
TIME.

NUMBER TEN: "ALREADY DID THE O.J. DNA FINGERPRINT STORY."

NUMBER NINE: "'BUCKY BALLS' EXPUNGED FROM SCRIPTS BY NERVOUS


NETWORK CENSORS."

NUMBER EIGHT: "WAITING FOR COLD FUSION."

NUMBER SEVEN: "WOULDN'T KNOW THE SUPER CONDUCTING SUPERCOLLIDER


FROM A HOLE IN THE GROUND."

NUMBER SIX: "STILL THINK SCIENCE'S GREATEST ACHIEVEMENT WAS TANG."

NUMBER FIVE: "FEEL GUILTY BECAUSE OZONE HOLE LINKED TO EXCESSIVE


HAIR SPRAY USE BY NEWS ANCHORS."

NUMBER FOUR: "POCKET PROTECTORS CAUSE TOO MUCH GLARE UNDER


HARSH TV LIGHTS."

NUMBER THREE: "BRAINWASHED BY BIOSPHERIANS."

NUMBER TWO: "UNABLE TO LOCATE FILE FOOTAGE OF THE 'BIG BANG.'"

AND THE NUMBER ONE REASON NETWORK NEWS PRODUCERS DON'T GIVE
SCIENCE MORE AIR TIME: "JOURNALISTS ARE FROM MARS...SCIENTISTS FROM
VENUS."

Miles O'Brien

ASMS meeting 1995

Anders Lund
--
><> Anders Lund <><
alund@unl.edu
<><

[end paste]
Kermit K. Murray
mailto:kmurray@emory.edu
http://tswww.cc.emory.edu/~kmurray/

******************************************************************************
From: douglas@chem.ubc.ca (don douglas)
Subject: ASMS 1996
Date: 27 Jun 1995 20:21:31 GMT
Organization: University of British Columbia

When is the ASMS 1996 meeting?

--
Don Douglas
Chemistry
University of British Columbia
2036 Main Mall
Vancouver,B.C.
V6T 1Z1

******************************************************************************
From: jbeale@reed.edu (Jay Beale)
Subject: Re: Selected Ion Monitoring v. Extracted Ion
Date: 27 Jun 1995 23:31:10 GMT
Organization: Reed College, Portland, Oregon

The essence of the difference is that in scan mode you are looking at all
the ions in the scan range, whether they yield valuble information or not,
while in SIM mode you only look at predetermined ions. I'm sure you know
that already, but what it boils down to is the machine performs more measure-
ments per ion per minute in SIM mode than it does in scan mode. As far as
data quality, I've heard that quantitation suffers if one has less than 11
(I've also heard 13) data points across the width of the peak being measured.
The HP manual has a section on how to figure out the number of data points
your method will collect, so that's a good place to start.

Your standard curve data must be collected using the same method as used
for the unknowns.

Let me know if you need more info...


-Jay Beale
jbeale@reed.edu

In article <3spicp$98b@acmex.gatech.edu>, <dip@hubcap.clemson.edu> wrote:


>I am using a HP 5890/5971MSD to look at pyrrolic nitrogen heterocycles in
>crude oil.

>My question: What is the difference between Extracted ion monitoring from the
>TIC and SIM in terms of data quality? Is Extracted Ion as "good" as SIM? If I use
>Extracted Ion on my standards, shouldn't that behave the same as SIM of the
>standards?
>Gracias,
>dip
>"Help! Help! I'm being repressed! / Come and see the violence inherent in the
>system!!"
>
>
>

--
-Jay Beale
jbeale@reed.edu
jbeale@epitope.com (not private, limited access)

******************************************************************************
From: dfettero@pipeline.com (Dean Fetterolf)
Subject: Re: Selected Ion Monitoring v. Extracted Ion
Date: 27 Jun 1995 21:31:18 -0400
Organization: The Pipeline

As you have noticed Extracted ion profiles are useful for "profile"
comparison and compound class feature extraction. SIM however will improve
your S/N ratio but at the loss of full spectral data.

******************************************************************************
******************************************************************************

From: gmt1810@trex.oscs.montana.edu (Mark Tarka)


Subject: Re: Electrospray for the monitoring of photochemical reactions
Date: Tue, 27 Jun 1995 19:42:53
Organization: Montana State University

In article <3sci81$j8f@acmex.gatech.edu>, depauw@gw.unipc.ulg.ac.be (Edwin De Pauw)


writes:
[Snip...]
>Post column derivatization is often used to increase detection sensitivity
>and selectivity. The postcolumn photoaddition can be used to selectively
>label the photoreactive compound before its entrance into the ion source.
>Coupled with a MS/MS scan, it allows the specific detection of the target
>compound or its quantification by MRM (multiple reaction monitoring)

Wouldn't that specific photo-tag make UV detection the desirable


choice?

Could you elaborate a bit about MS/MS and its connection to MRM, and
about the MRM process itself; a citation or two to a major journal
would suffice. I'd like to get a feel for what you mean by
quantitation (e.g. reproducibility and accuracy) using the
electrospray method. Right now I have the impression that short term
analyses are doable, while long term, repetitive work is not.

TIA
Mark gmt1810@msu.oscs.montana.edu

******************************************************************************
From: URWFOSTER@MSUVX1.MEMPHIS.EDU
Date: Tue, 27 Jun 1995 22:02:06 -0500 (CDT)
Subject: Balzers Help Needed for Quad Mass Sp.

From: urwfoster@cc.memphis.edu
Subject: Balzers Help Needed for Quad Mass Sp.
Date: 27 Jun 95 22:00:51 -0500
Followup-To: sci. techiques.
Keywords: Balzers
Organization: The University of Memphis
News-Moderator: Approval required for posting to sci.techniques.mass-spec

I have a Balzers QMG 112 powersupply, rga, preamp. and have lost the manual,
can anyone lend some assistance to me? All respondents would be greatly
appreciated.

******************************************************************************
From: macht@chclu.chemie.uni-konstanz.de (Marcus Macht)
Subject: Re: Anybody out there?
Date: 28 Jun 1995 07:52:47 GMT
Organization: Univ.Konstanz,Germany

A.L. McCormack wrotes:


>[Snip...]
>>I am getting ready to do H-D exchange of a protein followed by
>>micro-LC-ESI. Anyone have any general hints or suggestions?
>[Snip...]

I think you should try H-D exchange without LC-ESI first, because you
shurely will have a remarkable back-exchange in the LC. We use for our
exchange experiments solutions of proteins in deuterated solvents (D2O,
D4-acetic acid, ND4OD etc.) with flow injection on a vestec instrument.

Before making your LC-ESI experiments, you should investigate , how much
protons exchange fast or very fast 'cause I would expect that these will
back-exchange in your chromatography prior to MS.

Marcus Macht
Faculty of chemistry
University of Constance
Germany

******************************************************************************
From: cepas@randb.pprd.abbott.com
Subject: Vestec electrospray
Date: 28 Jun 95 07:16:10 CST
Organization: Abbott Laboratories

I'm happy to see this group up and running finally! Thanks Dave.
I'm having trouble running LC/MS with a Vestec ESI interface. Using the
interface in infusion mode with a syringe pump, things seem pretty good --
picomole sensitivity for small peptides (under 2000 da), usually just the
single and doubly charged ions. However when I switch to LC/MS using an
Acurate flow splitter, the sensitivity goes out the window, losing maybe a
factor of 1000.

Can anyone offer any tips? On the Vestec ESI interface, or the Acurate
splitter?

Details:
Extrel triple quad
Waters 600MS series HPLC
Acurate splitter @ the 1:50 or 1:150 splits
column flow of 250 uL/min 25:75 ACN:25mM NH4OAc
post-column flow of 400 uL/min of 5% HOAc in MeOH
flow into ESI @ 1:50 split = 13 uL/min
flow into ESI @ 1:150 split = 4.3 uL/min
HPLC backpressure about 1500psi with 2mm column

I plan on measuring the actual split today. Any other ideas?

--
*****************************************************************************
Steve Cepa ++Just a thought++
Abbott Labs *** These are my opinions only. So blame me. ***
(midway between Chicago and Milwaukee)
cepa.steven@igate.abbott.com

The most significant exclaimation in scientific disovery is not "Eureka", but


"That's funny..." (Isaac Asimov)
*****************************************************************************

******************************************************************************
From: URWFOSTER@MSUVX1.MEMPHIS.EDU
Date: Tue, 27 Jun 1995 22:02:06 -0500 (CDT)
Subject: Balzers Help Needed for Quad Mass Sp.

From: urwfoster@cc.memphis.edu
Subject: Balzers Help Needed for Quad Mass Sp.
Date: 27 Jun 95 22:00:51 -0500
Followup-To: sci. techiques.
Keywords: Balzers
Organization: The University of Memphis
News-Moderator: Approval required for posting to sci.techniques.mass-spec

I have a Balzers QMG 112 powersupply, rga, preamp. and have lost the manual,
can anyone lend some assistance to me? All respondents would be greatly
appreciated.

******************************************************************************
From: Erich Loew <eel@org.chemie.uni-muenchen.de>
Subject: pc-utilities for interpretation of mass spectra available?
Date: 27 Jun 1995 12:50:23 GMT
Organization: Leibniz-Rechenzentrum, Muenchen (Germany)
NNTP-Posting-Host: 141.84.241.24

I am looking for a simple program which should help me to assign


peaks in a mass spectra.

For example:

I find a peak at 262 m/e and want to know which combination of


elements could give a mass of 262.

If I know that only carbon, hydrogen and oxygen are present in my


molecule, the program should be able to propose the formula:

C15 H18 O4 (of course together with other possible combinations).

The program should run under dos or windows.

Please mail me if you know on which ftp-server there's something


like that:

email: eel@org.chemie.uni-muenchen.de

******************************************************************************
From: pggreen@cco.caltech.edu (Peter G. Green)
Subject: Re: ASMS 1996
Date: Wed, 28 Jun 95 22:15:25 GMT
Organization: Caltech (Environmental Engineering Science)

>When is the ASMS 1996 meeting?


>
>[The 1996 ASMS conference will be in Portland, Oregon, from May 12-17. - db]

How might one get more information about attending?

Post or email. Thanks in advance.

-Peter Green

******************************************************************************
From: Fred Schwarzer <fred1330@mailszrz.zrz.tu-berlin.de>
Subject: Re: pc-utilities for interpretation of mass spectra available?
Date: 29 Jun 1995 07:37:17 GMT
Organization: Institute of Food Chemistry / Technical University of Berlin

There is a publication that may help you. The programs can be obtained from the
authors.
I4m also interested in that programs. So i would be pleased if you can send me a
note when you
get these programs.

Title [ Simple Tools for computer-aided interpretation of mass spectra ]


Authors[ Silvia Heuerding, Jean Thomas Clerc ]
Source [ Chemometrics and Intelligent Laboratory Systems, 20 (1993) 57-69
]

Abstract[

Simple Programs to obtain from low-resolution mass spectra self-consistent sets of


plausible
estimates for the molecular mass and the elemental composition of the more
important peaks are
described. The algorithms used are given in detail.]

--
Fred Schwarzer
Institute of Food Chemistry / TU Berlin
see also
http://kojak.lb.tu-berlin.de/lc/fred.htm

******************************************************************************
From: wenthold@dante.colorado.edu
Subject: Re: ASMS 1996
Date: 29 Jun 1995 15:44:44 GMT
Organization: University of Colorado at Boulder
In-Reply-To: pggreen@cco.caltech.edu's message of 29 Jun 1995 08:27:55 -0400

>When is the ASMS 1996 meeting?


>
>[The 1996 ASMS conference will be in Portland, Oregon, from May
12-17. - db]

How does everyone feel about the fact that the Portland meeting
will be at the convention center and not a hotel? What effect
will this have on the meeting? What about conference fees?
Will they go up? Will this turn people off and end up making the
meeting smaller? What will happen to the format? Can we handle
extra oral sessions going on at the same time? I'm sure the poster
sessions can handle getting bigger...

paul

PS What's gong to happen to the hospitality suites?


--
***********************************************************************
* * *
* Dr. Paul G. Wenthold * "Not many girls in contemporary *
* JILA * society would give their underwear *
* University of Colorado * to help a geek like me." *
* Boulder, CO 80309 * Farmer Ted *
* (303)492-7768 * *
* * *
***********************************************************************
* I don't speak for JILA. In fact, I doubt they even agree with me! *
***********************************************************************
******************************************************************************
From: db32@prism.gatech.edu (David E. Bostwick)
Subject: Re: ASMS 1996
Date: 29 Jun 1995 16:07:38 -0400
Organization: Georgia Institute of Technology

In article <3suqis$pv4@acmex.gatech.edu>, <wenthold@dante.colorado.edu> wrote:


:
:
: >When is the ASMS 1996 meeting?
: >
: >[The 1996 ASMS conference will be in Portland, Oregon, from May
: 12-17. - db]
:
:
:How does everyone feel about the fact that the Portland meeting
:will be at the convention center and not a hotel? What effect
:will this have on the meeting? What about conference fees?
:Will they go up? Will this turn people off and end up making the
:meeting smaller? What will happen to the format? Can we handle
:extra oral sessions going on at the same time? I'm sure the poster
:sessions can handle getting bigger...
:
:paul
:
:PS What's gong to happen to the hospitality suites?

I was told that the best option was to use a convention center. The meeting
has grown so large that only a few hotels are large enough to hold it, and
splitting up into separate hotels was a worse choice.

As for fees and hospitality suites, any changes will obviously depend on what
the cost of the convention center is.

I know there are people who read this who are on the Board, or who have
regular contact with them, as well as company reps. Any word from y'all?

--
David E. Bostwick
Georgia Institute of Technology, Atlanta, GA, 30332
david.bostwick@chemistry.gatech.edu

******************************************************************************
From: nomad01@aol.com (Nomad01)
Subject: Re: Selected Ion Monitoring v. Extracted Ion
Date: 29 Jun 1995 18:22:46 -0400
Organization: America Online, Inc. (1-800-827-6364)

Your Question:
My question: What is the difference between Extracted ion monitoring from
the
TIC and SIM in terms of data quality? Is Extracted Ion as "good" as SIM?
If I use
Extracted Ion on my standards, shouldn't that behave the same as SIM of
the
standards?

1st Part:
The quality of the TIC versus SIM monitoring is mostly dependant upon the
relative sensitivity of the MSD to the analyte(s). In general, I prefer to
use SIM for routine analytical use because of sensitivity issues but if
you have adequate sensitivity to perform your analysis in TIC mode you
have more reliable data upon which to establish compound identity.

2nd part
The quality of the ion, be it extracted or SIM, is mostly related to how
well the inital paramenters have been established. Dwell time is very
important to prevent biasing of the spectra. (This is most apparent when
your isotopic ratios are incorrect.) If you do go with SIM mode it is VERY
important to perform a Dynamic Mass Calibration for the SIM ions of
interest.

3rd Part
I would not reccomend that approach because of relative sensitivity
differences between the two modes. An exception might be if you are using
an internal standard for correction of injection variation.

I have been using and developing analytical methods for pesticides using
the 5971 for about five years now. It's a tough instrument.

I would appreciate hearing more as I am not sure that I understood all of


the details of your application. Feel free to EMAIL me.

Hope this helps,

Mike
Hope this helps,

******************************************************************************
From: deline@netcom.com (James Deline)
Subject: Re: pc-utilities for interpretation of mass spectra available?
Organization: NETCOM On-line Communication Services (408 261-4700 guest)
Date: Thu, 29 Jun 1995 22:31:54 GMT

Erich Loew (eel@org.chemie.uni-muenchen.de) wrote:


: [This was posted in sci.chem. I've directed him here, but a cross-post to
: sci.chem would probably also be helpful. - db]

: I am looking for a simple program which should help me to assign


: peaks in a mass spectra.

: For example:

: I find a peak at 262 m/e and want to know which combination of


: elements could give a mass of 262.

: If I know that only carbon, hydrogen and oxygen are present in my


: molecule, the program should be able to propose the formula:

: C15 H18 O4 (of course together with other possible combinations).


: The program should run under dos or windows.

I've written a program that does exactly that, but it is currently only
available on the Macintosh. However, someone is porting it over to
Windows and we hope it will be done with the next month or two. Both
versions will be freeware.

The mac version can be ftp'd from: ftp.netcom.com/pub/de/deline/

The name of the program file is MFCalc

jd

******************************************************************************
Date: Thu, 29 Jun 1995 15:05:17 -0700 (PDT)
From: Lorne Isabelle <isabelle@ese.ogi.edu>
Subject: ASMS Portland

I tried to post this but it didn't fly.

It turns out the daughter of the Chemistry Dept secretary here at OGI
is the representative for the Portland Convention Center. From what I
can figure out, they are going to use 3 to 4 hotels near the convention
center. The hospitality suites will be at the convention center, or at
least that option is available. I think that by the time the convention
rolls around, the Portland light rail will be free in the downtown area
so getting from hotels to the convention center will be no problem.
Some are within walking distance. I think this will all workout O.K.

Lorne Isabelle
Oregon Graduate Institute

******************************************************************************
From: G.Spierings@fys.ruu.nl (Geert Spierings)
Subject: H/Cu pair potentials wanted.
Organization: Physics and Astronomy, University of Utrecht, The Netherlands
Date: Fri, 30 Jun 1995 12:31:19 GMT

Date: 30 Jun 95 12:23:01 GMT


Subject: H/Cu pair potentials wanted.

We are looking for a reliable pair potential to be able to calculate


trajectories for hydrogen atoms, being scattered off a Cu single
crystal surface.
The energies of the H atoms will be from 1 keV to 5 keV, and the
H atoms are grazingly incident onto the surface, so in this energy
regime most of the H-atoms will stay above the surface. We have done
some 'screened coulomb' and 'moliere' potential calculations, but we don't
know exactly how valid these are. The exact trajectory
is very important to us.

So what we want is pair potentials for the H / Cu collision system, valid


under the experimental conditions mentioned above.

Thanks for your time,

Geert.

-----------------------------------------------------------------------
Geert Spierings Debye Institute
Princetonplein 5
spiering@fys.ruu.nl 3584 CC Utrecht, NL
-----------------------------------------------------------------------

--
-----------------------------------------------------------------------
Geert Spierings Debye Institute
Princetonplein 5
spiering@fys.ruu.nl 3584 CC Utrecht, NL
-----------------------------------------------------------------------

******************************************************************************
From: dpvw@iastate.edu (Dave P VanderWiel)
Subject: Re: ASMS 1996
Date: 30 Jun 1995 14:40:18 GMT
Organization: Iowa State University, Ames, Iowa USA
Originator: dpvw@eng3.iastate.edu

In article <3suqis$pv4@acmex.gatech.edu>, wenthold@dante.colorado.edu writes:


|>
|>
|> How does everyone feel about the fact that the Portland meeting

<lines deleted>

|> extra oral sessions going on at the same time? I'm sure the poster
|> sessions can handle getting bigger...
|>
|> paul
|>
|> PS What's gong to happen to the hospitality suites?

Yeah - what about the hospitality suites!?!?!?!?!?

Dave

******************************************************************************
From: Ashley McCormack <alm7203@u.washington.edu>
Subject: Re: Peptide/Protein ionisation?
Date: Fri, 30 Jun 1995 08:38:24 -0700
Organization: University of Washington
Nntp-Posting-User: alm7203
In-Reply-To: <3smcjb$4hb@acmex.gatech.edu>

Finally a newsgroup!!!!
Anyway I have several questions to clarify: if you separate peptides by
HPLC then you use direct injection in 60% MeCN to introduce sample into
MS? Do you lyophylize (sp?) your sample to dryness?? Is the instrument
tuned properly for TFA/MeCN?

We usually run fractions on a micro-LC/ESI/MS system that uses acetic


acid as solvent A. And we do not have a problem with TFA as it is
usually washed off the column before acquisition.

-Ashley

**********************************
Ashley L. McCormack
Research Scientist III
Dept. of Molecular Biotechnology
FJ-20, University of Washington
Seattle, WA 98195
206-685-7335
alm7203@u.washington.edu
http://thompson.mbt.washington.edu
**********************************

On 26 Jun 1995, Philp Robin John wrote:

> Greetings,
> Good to see this digest up and running, great job.
>
> As a non MS user but one that has samples analysed by this technique
> (electrospray/API/LC/MS) I would like to seek info.
>
> My work involves the isolation of peptides and proteins for sequence
> analysis using chemical degredation techniques. Most proteins are
> digested in-gel and peptides separated using micro-reversed phase HPLC. I
> almost always use Trifluoroacetic acid as an ion pair reagent in the
> eluting solvents (water for A and acetonitrile for B) as this gives an
> excellent separation. However, I don't get much success when I submit a
> small amount of each fraction for MS analysis. If I have already carried
> out a separation the samples are usually applied by flow injection in 60%
> ACN. One reason offered is that TFA suppreses ionization of the peptide
> and formic acid would be better. I can switch to this but have read many
> references for this work being carried out perfectly well in TFA.
>
> Does anybody have any thoughts or comments on this effect that would be
> happy to post? It would be very useful to obtain mass data on the
> peptides before sequencing so as to help in full analysis.
>
> Apologies if this has appeared before but I posted a similar message
> before this link was fully up and running and I think it may have got lost!
>
> Many thanks.
>
> Robin J. Philp
> Institute for Molecular and Cell Biology
> Singapore.
>
>
>
>

******************************************************************************
From: David Wheeler <wheeler@elementl.demon.co.uk>
Subject: Job Wanted. ICP-MS, LA-ICP-MS, GDMS
Date: Fri, 30 Jun 1995 15:10:24 GMT

Job Wanted
----------

I am looking for a challenging position in scientific instrument development.

A micro CV follows.

Name: David Wheeler


Current Position: Project Scientist ICP-MS, LA-ICP-MS, GDMS
Address: e-mail to wheeler@elementl.demon.co.uk
Telephone U.K. 01606 861022, International +44 1606 861022
Nationality: British
Age: 32

Qualifications: BSc Hons in Physics at Imperial College, London. Graduated 1984

Employment history in reverse chronolgical order.

1986 to 1995 (Current) F.I. Elemental (Formerly VG Elemental)

* ICP-MS project scientist

Part of a project team developming ICP-MS instrumentation.

Sole desinger of an Ultra Violet laser ablation accessory for LA-ICP-MS.

* GDMS product manager

Product management of a high resolution GDMS instrument, the VG9000.

* GDMS project scientist and applications scientist.

GDMS development, both RF and DC for high resolution (VG9000) and quadrupole
(GloQuad) GDMS
instruments.

Applications development and customer demonstrations for the VG9000 and


GloQuad.

* GDMS installation engineer.

World wide installation and customer support for the VG9000

* Involvment in sales, marketing and customer care for ICP-MS and GDMS
instruments.
1984 to 1986 G.E.C. Avionics - Applied Physics Division.

* Operation of a gas analysis mass spec for H D T analysis.

* Software development for the interpretation of mass spec data.

Experience:

In addition to my qualifications in physics I have gained considerable experience


in
a wide range of disciplines. These inclde:

* Project managment. I have succesfully completed projects on time and in


budget.
* Mechanical engineering. I have experience in basic mechanical engineering and
I am capable of generating my own mechanical drawings in AutoCad.
* Lasers and optics. I have experience in NdYag, excimer and nitrogen lasers. I
am
also capable of designing basic optical systems.
* Vacuum systems. I have extensive experience of vacuum systems design.
* Sales and marketing. I have experience of direct instrument sales and
marketing
through visiting customers' sites to close orders, attending conferences to
generate
initial interest, writing instrument brochures and manuals and running
demonstrations.
* Software. I have some experience in programming and extensive experience of
third
party software including Lotus and Microsoft office sotware, AutoCad and
AutoSketch,
Ion Optics simulation, OS2 and Windows '95.
* Customer care. I have extensive experience of solving customers' problems
either during
a site visit or through telephone support.
* Systems engineering. As I have an understanding of many of the aspects of our
business
and experience in most of the disciplines involved I am in an excelent position
to
smoothly integrate each aspect of an instrument's development cycle.
* Foreign Travel. I an familiar with the customs and business practice of many
nationalities through first hand international travel.

******************************************************************************
From: Ashley McCormack <alm7203@u.washington.edu>
Subject: Re: ASMS 1996
Date: Fri, 30 Jun 1995 09:06:49 -0700
Organization: University of Washington
Nntp-Posting-User: alm7203
In-Reply-To: <3suqis$pv4@acmex.gatech.edu>

I overheard a conversation about the hospitality suites being in the


late afternoon/early evening at the convention hall. And how will
people get safely back to their hotels after visiting all the suites?

The meeting will be different. Might as well try it once.

Ashley

**********************************
Ashley L. McCormack, PhD
Research Scientist III
Dept. of Molecular Biotechnology
FJ-20, University of Washington
Seattle, WA 98195
206-685-7335
alm7203@u.washington.edu
http://thompson.mbt.washington.edu
**********************************

On 29 Jun 1995 wenthold@dante.colorado.edu wrote:

>
>
> >When is the ASMS 1996 meeting?
> >
> >[The 1996 ASMS conference will be in Portland, Oregon, from May
> 12-17. - db]
>
>
> How does everyone feel about the fact that the Portland meeting
> will be at the convention center and not a hotel? What effect
> will this have on the meeting? What about conference fees?
> Will they go up? Will this turn people off and end up making the
> meeting smaller? What will happen to the format? Can we handle
> extra oral sessions going on at the same time? I'm sure the poster
> sessions can handle getting bigger...
>
> paul
>
> PS What's gong to happen to the hospitality suites?
> --
> ***********************************************************************
> * * *
> * Dr. Paul G. Wenthold * "Not many girls in contemporary *
> * JILA * society would give their underwear *
> * University of Colorado * to help a geek like me." *
> * Boulder, CO 80309 * Farmer Ted *
> * (303)492-7768 * *
> * * *
> ***********************************************************************
> * I don't speak for JILA. In fact, I doubt they even agree with me! *
> ***********************************************************************
>
>
>
>
******************************************************************************
From: dejohnde@aol.com (DeJohnDE)
Subject: Re: Peptide/Protein ionisation?
Date: 1 Jul 1995 14:12:07 -0400
Organization: America Online, Inc. (1-800-827-6364)

It is known that high levels of TFA suppresses the electrospray signal.


LC/MS with 0.1% TFA is commonly used. Higher levels will start to cause
problems. With isolated material, it is helpful to freeze-dry the
material several times reconstituting with water between each
freeze-drying. This removes excess TFA which may be left behind with
inefficient freeze-driers.
Dana DeJohn
Parke-Davis
2800 Plymouth Rd.
Ann Arbor, MI 48105

******************************************************************************
From: jwindak@umich.edu (Jim Windak)
Subject: Isotope pattern software
Followup-To: sci.techniques.mass-spec
Date: 5 Jul 1995 15:13:10 GMT
Organization: University of Michigan, Chemistry

Does anyone know of any software for Dos or Windows which will generate a
theoretical isotope pattern from an entered formula? I have seen such
programs for the Macintosh, but I would like to have a Dos or Windows
version for one of our PC's which is interfaced to a GC/MS. Any
suggestions would be appreciated.

Jim Windak
University of Michigan
Chemistry Dept.
jwindak@umich.edu

******************************************************************************
From: jwindak@umich.edu (Jim Windak)
Subject: Isotope pattern software
Date: 5 Jul 1995 15:13:10 GMT
Organization: University of Michigan, Chemistry

Does anyone know of any software for Dos or Windows which will generate a
theoretical isotope pattern from an entered formula? I have seen such
programs for the Macintosh, but I would like to have a Dos or Windows
version for one of our PC's which is interfaced to a GC/MS. Any
suggestions would be appreciated.

Jim Windak
University of Michigan
Chemistry Dept.
jwindak@umich.edu

******************************************************************************
Date: Wed, 05 Jul 1995 18:38:29 +0000 (GMT)
From: ddxdd@IMAP1.ASU.EDU
Subject: Re: Isotope pattern software
Organization: daves not here

Jim Windak (jwindak@umich.edu) wrote:


: Does anyone know of any software for Dos or Windows which will generate a
: theoretical isotope pattern from an entered formula? I have seen such
: programs for the Macintosh, but I would like to have a Dos or Windows
: version for one of our PC's which is interfaced to a GC/MS. Any
: suggestions would be appreciated.

PROCOMP is a program for protein analysis that includes an isotope


ratio calculator (diophantine routine). the isotope pattern routine can
handle all of the elements we have thrown at it (haven't tried the trans-
uranics, though), with the caveat that you specify the number 1 for a
single occurance of an element. the program can be obtained (free at last
word) from:

p.c. andrews, PhD


room 2560a msrb-2
box 0674
univ. of michigan medical school
ann arbor, mi 48109

the program is a dos program, but phil may be working on a windows version.

oh, he requests that you write him for the program, NOT call him.
hope this helps.

-d^2

******************************************************************************
From: Norbert Nieth <noobi@odin.oci.uni-heidelberg.de>
Subject: Re: Isotope pattern software
Date: 6 Jul 1995 13:28:21 GMT
Organization: Organisch-Chemisches Institut
boundary="-------------------------------28615894515740"

This is a multi-part message in MIME format.

---------------------------------28615894515740

jwindak@umich.edu (Jim Windak) wrote:


>Does anyone know of any software for Dos or Windows which will generate a
>theoretical isotope pattern from an entered formula? I have seen such
>programs for the Macintosh, but I would like to have a Dos or Windows
>version for one of our PC's which is interfaced to a GC/MS. Any
>suggestions would be appreciated.
>
>Jim Windak
>University of Michigan
>Chemistry Dept.
>jwindak@umich.edu
>
>
I am really interested in those pattern calculations, it ist not a trivial problem.
I wrote
a QBASIC program for DOS, which executes the job.I will attach a sample output of a
caalculation.
There is no graphical output but you can prit the data and save as ASCII-file.
There is a
conversion of decimal point to decimal comma and TAB-character creation
included.This isbecause of
the german version of my graphic software which only accepts decimal commama.
Up to now there are 14 elements (the more important in our lab) in the table, but
you can add
or delete by your choice.
The program is free, but you use on your own risc. There is no warranty because of
algoryithm as
well as inaccurate calculation depending on multiple multiplieing and adding small
numbers.
If anyone is interested, e-mail me and I will return the QBASIC Source code. Hope
it will be
easy to use, but I assist, if there are any questions Try and have time and fun.

Norbert Nieth

---- Sample output of ISOTOP.BAS ------------

---------------------------------28615894515740

Reconstructed Isotope Pattern of C27 H30 N1 O1 P1 Cl2 Pd1


Chemical Mass at 592,9733
Centroid Mass at 592,9732
Highest Clusterpeak at 593,0467
First Clustermass at 587,0491
Last Clustermass at 659,3230
Number of Clusterpeaks 24
Theoretical number of Clusterpeaks 93744
deltaM ,01
m/z rel. Int [%]
587,05 1,5474
588,05 ,4813
589,05 19,0734
590,05 49,6307
591,05 78,8430
592,05 50,7576
593,05 100,0000
594,05 33,6894
595,05 71,2870
595,06 ,0001
596,05 21,0301
597,05 25,7813
597,05 ,0008
598,05 7,3477
598,06 ,0020
599,05 3,9042
599,06 ,0001
600,05 ,9818
600,06 ,0002
601,05 ,1447
601,06 0,0000
602,05 ,0149
603,06 ,0012
604,06 ,0001

---------------------------------28615894515740--

******************************************************************************
From: db32@prism.gatech.edu (David E. Bostwick)
Subject: no subject (file transmission)
Date: Thu, 6 Jul 1995 09:51:27 -0400 (EDT)

>From m13666@chaos.kulnet.kuleuven.ac.be Thu Jul 6 09:47:35 EDT 1995


Article: 41808 of sci.chem
From: m13666@chaos.kulnet.kuleuven.ac.be (ilse vandecandelaere)
Subject: NEED HELP ON HPLC-MS
Date: 4 Jul 1995 12:10:38 GMT
Organization: Katholieke Universiteit Leuven
NNTP-Posting-Host: ipv13162.cc.kuleuven.ac.be

I'm wondering wether I could identify thermal decomposition products of


2,4-pentanedione (HAA) by HPLC-MS. By HPLC only I'm able to detect
HAA and acetic acid and two additional peaks. Is it possible to
identify those additional peaks by HPLC-MS ? Probably they result from
products with low molecular mass.
Anyone any suggestions ??????

Thanks in advance,

Ilse

******************************************************************************
From: Rachel Ogorzalek Looo <loo@brcf.med.umich.edu>
Subject: re:re:isotope pattern software and protein software
Date: 6 Jul 1995 17:18:10 GMT
Organization: University of Michigan

The DOS version of Procomp is still available free


for the asking from Philip Andrews. e-mail address:
andrews@brcf.med.umich.edu. Phil says it will handle
the transuranics, although he didn't include ones
for which the longest isotope half life was shorter than
a second. Maybe he can be persuaded . . .The program
also does protein mass maps, secondary structure
calculations, and a wide range of primary structure
calculations. It will also work on a MAC employing
the "Soft PC" program.

--------------
Rachel Ogorzalek Loo
Protein and Carbohydrate Structure Facility
University of Michigan
2560 MSRB II
1150 W. Meddical Center Dr.
Ann Arbor, MI 48109-0674

******************************************************************************
From: "Rob O'Brien" <ro@iecems.lan.nrc.ca>
Subject: Re: Isotope pattern software
Date: 6 Jul 1995 18:08:46 GMT
Organization: National Research Council, Canada

There is a web site available where you can calculate a


isotope pattern from a formula it is at ;

<http://www-mac.shef.ac.uk/chemistry/web-elements/isotope.script>

This will only give you the mass/intensity values and not
a spectra.
A more difficult problem is finding a program to calculate a
pattern for an isotopically enriched species such as (37Cl)Cl5C12H4
where the 37Cl label is not 100%. If anyone has or knows of a
program that can do that please let me know.

regards,

R.O'B

******************************************************************************
From: kkm <kmurray@emory.edu>
Subject: Re: Isotope pattern software
Date: 6 Jul 1995 20:24:01 GMT
Organization: Emory University

"Rob O'Brien" <ro@iecems.lan.nrc.ca> wrote:


[snip]
> A more difficult problem is finding a program to calculate a
>pattern for an isotopically enriched species such as (37Cl)Cl5C12H4
>where the 37Cl label is not 100%. If anyone has or knows of a
>program that can do that please let me know.

There's a Macintosh shareware program Isotope Pattern Calculator v1.6.5


by Les Arnold (JANNINE@waikato.ac.nz) that allows isotope abundance
editing and saves calculated abundance patterns as ASCII files. I haven't
used it much, but it looks pretty good. It's on INFO-MAC at
sumex-aim.stanford.edu by anonymous FTP or at the MIT hyperarchive URL
below.

Abstract:
http://hyperarchive.lcs.mit.edu/HyperArchive/Abstracts/sci/isotope-patter
n-calculator-165.hqx.abs
Download:
http://hyperarchive.lcs.mit.edu/HyperArchive/Archive/sci/isotope-pattern-
calculator-165.hqx

If that doesn't work, I have it on my software page at


http://tswww.cc.emory.edu/~kmurray/mssw.html
If anyone has a link to any other mass spec shareware, I can put it in
there.

Kermit K. Murray
mailto:kmurray@emory.edu
http://tswww.cc.emory.edu/~kmurray/

******************************************************************************
From: senko@magnet.fsu.edu (Mike Senko)
Subject: Re: Isotope pattern software
Date: 7 Jul 1995 00:36:22 GMT
Organization: NHMFL

I wrote an isotope simulator in VB using Yergey's algorithm


(IJMSIP, 52, 1983, 337-49) a couple of years back. It does all the
elements (isotope ratios can be modified) and has graphical output to the
screen and printer. Since it's written in VB, it's not real fast (ie. a
10 kDa protein takes 15 seconds to calculate the distribution and 20 to
display on a 486/33), but I'm working on a new version in Delphi that
should be 20x faster. If you want a copy of the old version, send me a
note. I make no claims to the accuracy of the algorithm (you get what
you pay for :), but Yergey was nice enough to give me his VAX Fortran
code to translate, so it should be safe. All I know is that it matches
experimental distributions from ESI-FTMS instruments real well.
Note: I've not used the WWW distribution calculator myself,
but I've heard it's results are a little off.

Mike Senko
senko@magnet.fsu.edu

******************************************************************************
From: a1619195@smail1.rrz.Uni-Koeln.DE (Werner Spahl)
Subject: Re: NEED HELP ON HPLC-MS
Date: 7 Jul 1995 12:10:55 GMT
Organization: Regional Computing Center, University of Cologne

ilse vandecandelaere (m13666@chaos.kulnet.kuleuven.ac.be) wrote:


:
: I'm wondering wether I could identify thermal decomposition products of
: 2,4-pentanedione (HAA) by HPLC-MS. By HPLC only I'm able to detect
: HAA and acetic acid and two additional peaks. Is it possible to
: identify those additional peaks by HPLC-MS ? Probably they result from
: products with low molecular mass.

I would suggest to try it with HPLC/PB (Particle Beam)/MS. The Particle


Beam will produce normal EI mass spectra of compounds from ~200-2000 amu.

--
Werner Spahl (a1619195@smail.rrz.uni-koeln.de)
"The meaning of my life is to make me crazy"

******************************************************************************
From: Rob Levine <rlevine@noriko.demon.co.uk>
Subject: Wanted: Comprehensive Mass List for Quadrupole Gas Analyser
Date: Fri, 07 Jul 1995 07:56:52 GMT
Organization: Raychem Ltd

Dear All,
I routinely use quadrupole gas analysers and am after a comprehensive
list of which species each mass is likely to represent. I already have
various (incomplete) lists but was wondering if anyone new of a
'definitive' list.
Thanks for any help,
Rob
--
Robert J. Levine.
Corporate Technology Europe, Raychem Ltd, Faraday Road,
Dorcan, Swindon, Wiltshire SN3 5HH, UK.
-------------------------------------------------------
E-mail: rlevine@thinfilm.demon.co.uk OR
rlevine@raukcte.ccmail.compuserve.com

******************************************************************************
From: strecker@chemie.fu-berlin.de (Andreas Strecker)
Subject: Re: peptides sequencing
Date: Fri, 07 Jul 95 20:09:04 GMT
Organization: FU Berlin

In article <3smd65$8bn@acmex.gatech.edu>,
depauw@gw.unipc.ulg.ac.be (De Pauw Edwin) wrote:
>Oligopeptides sequencing can be performed using liquid SIMS or
>electrospray ionization. If the interpretation of spectra of known
>compounds is easy, structure determination of unknowns is however
>not so direct. Fragmentation does not often give all the structural
>information needed. Two methods can then be used: the brutal force
>or MS/MS. The brutal force means fitting the spectra on the basis of
>the amino acids combinations. If their nature can be deduced from the
>low mass iminium fragments, the task is simplified. The other way is
>the use of MS/MS. Daughter ion spectra are usually employed. We used
>in addition the fact that b-a ions are often present to selectively
>pick the b-a transition by constant neutral loss of CO. This scan
>labels the fragments as b ones. In electrospray, multiply charged ions
>are the source of most fragments. We recently observed the loss of CO
>and water from doubly charged ions on a triple quadrupole instrument,
>resulting, as expected, from the apparent loss of half the mass monitored
>(double charge). In sector instruments, the same sample gaves not
>the same results. We think that calibration of linked scans do not work
>for losses from multiply charged ions. Before to start ourselves
>the scans calculation, we would like to know if someone already made
>the job.
>Thanks
>
There is also now the posiibility to sequence with MALDI-MS and
post-source-decay (PSD) technique. The first machines are already on the
market. The technique uses the "natural" fragmentation that occurs subsequent
to acceleration of the ions after MALDI. The fragments get a secondary
acceleration and are detectable as a fragmentation series of the original
molecule. This makes peptide sequencing possible. Major advantages: Little
sample amount required; low purity of sample required (peptide mixtures or
even complete digest probes are sequencable); ions differing in less than 50
masses may be separated prior to sequencing within the MS by way of an
electronic switch. Major disadvantage: Only few machines installed yet (but
numbers are rapidly growing!)

Andreas

******************************************************************************
From: brevardlab@aol.com (BrevardLab)
Subject: Re: ICP-MS Analyses Service?
Date: 7 Jul 1995 17:02:51 -0400
Organization: America Online, Inc. (1-800-827-6364)

My lab also performs ICP-MS analysis. We have been using ICP-MS for about
4 years now doing primarily water and wastewater analysis but have had
projects using isotope dilution, hydrothermal vent fluids and all sorts of
solid materials ranging from steel to cement. We have recently started
tissue analysis. Our mailing address is

BTR Labs
250 Grassland Road SE
Palm Bay FL 32909

407 632 1111 x22011

******************************************************************************
From: sismspec@aol.com (Sismspec)
Subject: Increasing Sensitivity of the HP MSD
Date: 8 Jul 1995 12:19:39 -0400
Organization: America Online, Inc. (1-800-827-6364)

Scientific Instrument Services has just published a 24 page, two part


publication on improving the performance of the HP 5971 instruments. This
paper was presented as a poster at the last AMMS meeting in Atlanta. This
publication is free to anyone. E-mail us your name and address
(sismspec@aol.com) or call us at 908-788-5550 and request the publication
"Improving Sensitivity in the HP 5971 MSD and Other Mass Spectrometers"

Part 1 of this article addresses the improvements that can be made in the
MSD to improve its sensitivity (increasing signal-to-noise level). This
can be accomplished by reducing the background originating in the MSD
itself. The new high sensitivity multipliers available from several
manufacturers were evaluated and provided a four to five fold increase in
sensitivity over the original multipliers supplied with the MSD when it
was first manufactured. Further improvements can be achieved by improving
the vacuum level by using larger vacuum pumps and new higher grade rough
pump and diffusion pump oils. A direct capillary transfer line was also
used to permit the direct introduction of the column effluent into the GC
source.

Part 2 of this article describes the changes that can be made to the GC to
improve performance. GC bleed is the major reasons for loss in MS
sensitivity because any bleed from the column or injection port
contributes to the background noise level in the MSD. GC septa from
various manufacturers were studied and it was determined that the Supelco
Thermogreen septa produce the lowest bleed for use in GC/MS applications.
A new injection port liner and Vespel injection port liner seal were
developed. A method is described for the high temperature flow
conditioning of the GC injection port. In addition the new low bleed -MS
bonded phase columns available from several manufacturers help reduct the
noise level in the MSD.

The combined improvements in the MSD and GC improved the overall MSD
signal-to-noise level bewteen 5 to 10 fold.

I am sure that there are more techniques and design changes that can be
made to improve the performance in MSD's and other mass spectrometers. I
seems that no matter what the level of sensitivity the mass spec spec was
designed for, you can always use a little more sensitivity to detect that
problem compound. I would like to hear from anyone who has any new
tested or untested ideas or any other suggestion for improving the
performance of the mass spectrometer.

John J. Manura
Scientific Instrument Services
Supplier of Parts and Services for Mass Spectrometers and Other Scientific
Instruments.
Phone: (908) 788-5550
FAX: (908) 806-6631
e-Mail: sismspec@aol.com

******************************************************************************
From: vilboisf@iprolink.ch (Francis Vilbois)
Subject: Re: peptides sequencing
Date: Sat, 08 Jul 1995 23:55:07 +0100
Organization: Internet ProLink

In article <3tm6ch$dhs@acmex.gatech.edu>, strecker@chemie.fu-berlin.de


(Andreas Strecker) wrote:

> There is also now the posiibility to sequence with MALDI-MS and
> post-source-decay (PSD) technique. The first machines are already on the
> market. The technique uses the "natural" fragmentation that occurs subsequent
> to acceleration of the ions after MALDI. The fragments get a secondary
> acceleration and are detectable as a fragmentation series of the original
> molecule. This makes peptide sequencing possible. Major advantages: Little
> sample amount required; low purity of sample required (peptide mixtures or
> even complete digest probes are sequencable); ions differing in less than 50
> masses may be separated prior to sequencing within the MS by way of an
> electronic switch. Major disadvantage: Only few machines installed yet (but
> numbers are rapidly growing!)
>
> Andreas
I have never seen any good data from these MALDI-MS PSD techniques. The
mass spectrometers on the market are absolutely useless.

Francis

--
Francis Vilbois

e-mail: vilboisf@iprolink.ch

******************************************************************************
From: topaz56@cyberg8t.com (BlueShift)
Subject: MALDI-TOF
Date: Sun, 9 Jul 1995 10:12:10
Organization: Cyberg8t

Any MALDI gurus out there?

BlueShift

******************************************************************************
From: db32@prism.gatech.edu (David E. Bostwick)
Subject: Reception problems
Date: 10 Jul 1995 10:16:03 -0400
Organization: Georgia Institute of Technology

I have heard from a couple of people that all of the postings aren't
making it to every site. There should be more than 90 postings by now. If
you have not received all of the messages, let me know via e-mail, not a
posting here. Send the mail to me at db32@prism.gatech.edu (a reply to
this message should do that), to Sarah Shealy at ss17@prism.gatech.edu, or
to the group contact address at mass.spec-request@chemistry.gatech.edu.

--
David E. Bostwick
Georgia Institute of Technology, Atlanta, GA, 30332
david.bostwick@chemistry.gatech.edu

******************************************************************************
From: Ashley McCormack <alm7203@u.washington.edu>
Subject: Re: peptides sequencing
Date: Mon, 10 Jul 1995 17:12:51 -0700
Organization: University of Washington
Nntp-Posting-User: alm7203
In-Reply-To: <3tm6ch$dhs@acmex.gatech.edu>

On 8 Jul 1995, Andreas Strecker wrote:

> In article <3smd65$8bn@acmex.gatech.edu>,


> depauw@gw.unipc.ulg.ac.be (De Pauw Edwin) wrote:
> :Oligopeptides sequencing can be performed using liquid SIMS or
> :electrospray ionization. If the interpretation of spectra of known
> :compounds is easy, structure determination of unknowns is however
> :not so direct. Fragmentation does not often give all the structural
> :(Rest of post deleted)
>
> There is also now the posiibility to sequence with MALDI-MS and
> post-source-decay (PSD) technique. The first machines are already on the
> market. The technique uses the "natural" fragmentation that occurs subsequent
> to acceleration of the ions after MALDI. The fragments get a secondary
> acceleration and are detectable as a fragmentation series of the original
> molecule. This makes peptide sequencing possible. Major advantages: Little
> sample amount required; low purity of sample required (peptide mixtures or
> even complete digest probes are sequencable); ions differing in less than 50
> masses may be separated prior to sequencing within the MS by way of an
> electronic switch. Major disadvantage: Only few machines installed yet (but
> numbers are rapidly growing!)
>
> Andreas
>
>
While it is time consuming and sometimes difficult to sequence by MS/MS
it is not impossible to sequence unknowns. Just look at the elegant
work of Don Hunt's group in the last few years, sequencing MHC peptides
using triple quadrupoles.

While MALDI TOF instruments capable of PSD are a welcome addition to the
techniques available, metastable fragmentation has been available to
biological mass specrometrists for some years. It may produce
different ion series that low- or high-energy CID but the ion series
produced by those methods usually provide the information necessary to
sequence peptides. And some peptides just won't fall apart the right
way, no matter what you do to them.

While I am a fanatical micro-LC/ESI/MS/MS triple quad user, IMHO


whatever method works to get the answer is the one to use.

Ashley L. McCormack
UW

Just my two cents, not my employers.

******************************************************************************
From: Ecuvac <pmarston@vacgen.fisons.co.uk>
Subject: On-line catalogues ?
Date: Tue, 11 Jul 1995 01:45:13 -0400
Organization: Vac Gen

Any body know of any on-line catalogues I can browse ?

Thanks

Phil
******************************************************************************
Date: Tue, 11 Jul 1995 07:37:00 -0500 (CDT)
From: "Steven P. Cepa 708-937-7539" <CEPA.STEVEN@igate.pprd.abbott.com>
Subject: Chicago area meeting

PLEASE POST

SORRY FOR THE LATE NOTICE.


we'll need your help in getting good attendence

MCM-MSDG Members Night


Wednesday, July 19
Grand Palace Restaurant, Gurnee, IL

Dale Scholler
University of Chicago
"Diet and Metabolism using Radioactive Tracers with MS"

Robert Ludicky
Morton International
"Analysis of Polyesters and Other Polymers by LD-FTMS"

Bryan Winger
Extrel FTMS
"Interfacing ESI with FTMS"

Social hour @ 5:00


Dinner @ 6:00 choose chicken or vegetarian
Talks @ 7:00

Cost $25
Call 708-245-3403 by July 17 to register.

[Editorial comment: Dale Scholler is a recognized international expert on diet


and food metabolism. His talk alone should be worth attending.]

******************************************************************************
Subject: Alternative Analytical Methods for ng/L
Date: Mon, 10 Jul 1995 11:15:42 -0600
From: "David A. Bender, ECO contract person, Rapid City, SD
"<dabender@wrdmail.er.usgs.gov>
Organization: US Geological Survey

The United States Geological Survey's National Water-Quality Assessment


(NAWQA) Program's Volatile Organic Compounds (VOC) National Synthesis
(VOC-NS) in conjunction with the USGS National Water-Quality Laboratory
(NWQL) would like to request any information on ng/L (ppt) analytical
methods for analysis of VOCs in ground water and surface water matrices.

NAWQA's present VOC schedule has a reporting level of 0.2 ug/L. This
reporting level is adequate for making observations about VOCs detected
in ground water or surface water to federal regulatory standards or
criteria. This reporting level, however, is not adequate for many other
aspects of scientific investigations including for example
characterization
of the frequency of occurrence of contaminants, and understanding their
transformation, transport, and fate. A reporting level of 1 - 10 ng/L is
needed if quantitative assessments of VOCs in surface water are to be
achieved.

Currently the NWQL is using full scan purge and trap gas
chromatography/mass
spectrometry (P+T GC/MS), but by switching to selective ion
monitoring a reporting level of 10 - 20 ng/L can be achieved. This latter
method, however, does not allow for non-target VOCs to be identified and
also only a select number of targets can be quantified.

Because of these limitations the VOC-National Synthesis is compiling


information on ng/L (ppt) analytical methods for VOC analysis in ground
water
and surface water matrices. The capabilities we seek include:

1. The ability to achieve 1 - 10 ng/L quantitatively;

2. The ability to detect non-target VOCs; and

3. A proven methodology in large-scale assessments (national, regional,


or state monitoring programs).

Any information would be greatly appreciated.

A summary of received information will be posted.

--------------------------------------------------------------------------
---

David A. Bender e-mail


(605) 394-1780 x240 dabender@rc01dsdhrn.cr.usgs.gov

--------------------------------------------------------------------------
---

******************************************************************************
Date: Wed, 12 Jul 1995 15:55:57 +0000 (GMT)
From: fan@pangea.usask.ca (Jhianzong Fan)
Subject: Stability of ICPMS
Organization: University of Saskatchewan

Recently, I ran several batches of rock samples (sintered by sodium


peroxide). The unstable signal of all standards on Zr, Hf kind of puzzled
me. I selected three readings for each analyte. Zr (200 ppb, with ~120000
cps) in standard solution have RSTD ~10 to 15%, comparing to ~2 to 5% for
other elements such as rare earth elements. Zr responses in sample solutions
also have RSTD ~2 to 5%, which are normal. This phenomennon was not
observed before. One obvious diference between sample solution and
standard solution is that sample solution has higher TDS.
The three readings of the standard solution is increasing, with maximum
on the third reading, and it looks to me the correct one.
Anyone on network has any idea to explain this phenomenon?

******************************************************************************
From: proulxp@ere.umontreal.ca (Proulx Pascal)
Subject: Identifying doubly charge ions in ESI/MS/MS
Organization: Universite de Montreal
Date: Thu, 13 Jul 1995 00:45:45 GMT

Hi,
I am looking for suggestion for the identification of doubly
charge ions in ESI/MS/MS of peptides.

If the sampling of the m/z is fine, I can easily detect them


by the isotope at M+0,5Da. But what if the spectrum has been
acquired at low res?

Any suggestions?

Pascal Proulx
PhD student
Universite de Montreal
proulxp@ere.umontreal.ca

******************************************************************************
From: greg@sciex.com (Greg King)
Subject: Re: Stability of ICPMS
Date: Thu, 13 Jul 1995 12:04:50 -0400
Organization: SCIEX

In article <3u0vmb$h6e@acmex.gatech.edu>, fan@pangea.usask.ca (Jhianzong


Fan) wrote:

> Recently, I ran several batches of rock samples (sintered by sodium


> peroxide). The unstable signal of all standards on Zr, Hf kind of puzzled
> me. I selected three readings for each analyte. Zr (200 ppb, with ~120000
> cps) in standard solution have RSTD ~10 to 15%, comparing to ~2 to 5% for
> other elements such as rare earth elements. Zr responses in sample solutions
> also have RSTD ~2 to 5%, which are normal. This phenomennon was not
> observed before. One obvious diference between sample solution and
> standard solution is that sample solution has higher TDS.
> The three readings of the standard solution is increasing, with maximum
> on the third reading, and it looks to me the correct one.
> Anyone on network has any idea to explain this phenomenon?

I'm not even going to speculate on sources of signal fluctuation.


Have you tried using an internal standard?

Greg

--
Greg King
SCIEX
71 Four Valley Drive
Concord, Ontario, Canada
(905) 660-9005
greg@sciex.com

******************************************************************************
From: "Dr. S. K. Singhal" <ksinghal@mni.uwo.ca>
Subject: Question: Tandem MS of amino acids?
Date: 14 Jul 1995 18:47:50 GMT
Organization: The University of Western Ontario

I am working on solving the structure of an unknown molecule using


daughter ion analysis by ms/ms. I am using a Sciex API-III triple
quadruple instrument with an ionspray interface, usually with an LC.

I have one fragmentation pattern that I think may be consistent with


glutamic acid. Does anyone know where I might find information on
fragmentation of amino acids using tandem ms techniques?

Please post your reply in this newsgroup or by E-mail to:

ksinghal@mni.uwo.ca

Thanks!

******************************************************************************
From: dhchace@acpub.duke.edu (Donald H. Chace)
Subject: Re: Question: Tandem MS of amino acids?
Date: 15 Jul 1995 02:10:58 GMT
Organization: Duke University Medical Center

In article <3u6iai$ipt@acmex.gatech.edu>, "Dr. S. K. Singhal" <ksinghal@mni.uwo.ca>


says:
>
>I am working on solving the structure of an unknown molecule using
>daughter ion analysis by ms/ms. I am using a Sciex API-III triple
>quadruple instrument with an ionspray interface, usually with an LC.
>
>I have one fragmentation pattern that I think may be consistent with
>glutamic acid. Does anyone know where I might find information on
>fragmentation of amino acids using tandem ms techniques?
>
>Please post your reply in this newsgroup or by E-mail to:
>
> ksinghal@mni.uwo.c
>
>Thanks!
>
>

I have been working on the tandem mass spectrometry of amino acids


for the past 3-4 years as part of our newborn screening R&D. A fragment
that is observed arises as a result of a neutral loss of formic acid.
Generally, much of our framentation data on amino acids are form butyl esters
derivatives of amino acids in which a fragment is produced from the loss of butyl
formate.
These are neutral losses.

******************************************************************************
From: dhchace@acpub.duke.edu (Donald H. Chace)
Subject: Re: Question: Tandem MS of amino acids?
Date: 15 Jul 1995 02:16:25 GMT
Organization: Duke University Medical Center

In article <3u6iai$ipt@acmex.gatech.edu>, "Dr. S. K. Singhal" <ksinghal@mni.uwo.ca>


says:
>
>I am working on solving the structure of an unknown molecule using
>daughter ion analysis by ms/ms. I am using a Sciex API-III triple
>quadruple instrument with an ionspray interface, usually with an LC.
>
>I have one fragmentation pattern that I think may be consistent with
>glutamic acid. Does anyone know where I might find information on
>fragmentation of amino acids using tandem ms techniques?
>
>Please post your reply in this newsgroup or by E-mail to:
>
> ksinghal@mni.uwo.ca
>
>Thanks!
>
>
>You should expect a neutral loss of COOH. I have fragmentation data from numerous
amino acids
(primarily butyl esters) that may be helpful to you.

******************************************************************************
From: Nahum Gat <oksi@cerfnet.com>
Subject: TechExpo WWW site for hi-tech users
Date: 15 Jul 1995 19:13:29 GMT
Organization: Opto-Knowledge Systems, Inc.

Dear Colleague

Please view the WWW site at:


http://www.techexpo.com/

It is geared for hi-tech users and contains info on technical


conferences, societies, magazines, and a directory of hi-tech companies,
their products and services.

TechExpo will post such info from qualified technical organizations.

Regards,

Nahum Gat, Ph.D.


oksi@cerfnet.com
******************************************************************************
From: rdw@waikato.ac.nz
Subject: Quantitative work with ESMS
Date: 17 Jul 95 17:27:55 +1200
Organization: University of Waikato, Hamilton, New Zealand

Hi,
I'm one of a group of undergraduates looking at the quantitative abilities
of our Universitys newly acquired Electrospray Mass Spectrometry device.
We are tasked to look at anabolic steriods in this assignment, and to
design and test a basic protocol to achieve the main goal. (ie to see
whether this beast can do quantitative analysis, and tell us the concentr-
ations of the standard steriod solutions we send thru it.)

We would greatly appreaciate any wisdom you could pass on; things like
experimental hints, good articles on the subject, fore warning of any pit falls
etc this sort of thing would be really helpful to us.

Thanks very much

R D Winefield

******************************************************************************
Date: Mon, 17 Jul 1995 11:01:35 +0500 (GMT+0500)
From: Prof A G Menon <agmenon@hamsadvani.serc.iisc.ernet.in>
Subject: Interpretation of Mass Spectra.

We have read with great interest the discussion related to obtaining


elemental composition information of fragments from
low resolution mass spectra.

At the Indian Institute of Science, Bangalore (India) we have been


developing programs to do just this over the last few years
(a report of our early effort may be seen in RCM, Vol.6, pp.585-591, 1992).
The program is written in C and runs on DOS (IBM PC). The current
version of the program is fairly general and can take care of
arbitrary number of elements with arbitrary isotopes.
The user can include any element (including hypothetical ones) by
simply typing one line in a table giving a name to the element
and specifying its nominal mass and all isotopes with isotopic ratios.
Currently the table contains 36 elements that we have typed in but any
more can be added. Any knowledge of presence/absence of elements in the
compound can be input to the program and it shortens the search and the
suggestions thrown up by the program. The program needs the spectrum as
a table of m/e vs. intensity numbers (or raw intensity data). Since it
relies on isotopic signatures, ALL peaks must be input. Currently
the program can take care of elements with upto 17 isotopes. Its
theoretically calculated isotopic signature can span 63 mass numbers
on either side of the nominal peak. Since the program mainly relies on
isotopic signatures, the method of ionization by which the spectra are
obtained is of no consequence.
We have been fairly successful with text-book spectra
(McLafferty's 3rd edition) and spectra of a few organometallic compounds.
we are looking for some "real" spectra to test our programs. Anyone who
would like to help us (or has a problem interpreting their spectra
and is willing to try our program) could send the spectra to us (m/e to
intensity table) and we could report the output of our System.
We would be grateful for some help, by way of spectra, for two
classes of compounds -
(1) organo-metallic compounds and (2) large molecules such as
peptides. If we could have the complete spectra (including, of course
the isotopic peaks) of published (or otherwise "solved" and hence
unclassified) compounds, we could test out our program.
Unfortunately, at present the program is not in a form where anybody can
copy it and use it. It is part of a system under development that tries
to suggest structures and we use the elemental composition of peaks
in trying to evaluate suggested structures. However, we hope to have
a stand alone program ready in a couple of months. We would, of course,
be happy to run the program on any data sent to us and report results.
(People who want to help us can send spectra by e-mail to
agmenon@vigyan.iisc.ernet.in).

________________________________________________________________________
< A. G. Menon | P. S. Sastry >
< Instrumentation and Services Unit | Department of >
< Indian Institute of Science | Electrical Engineering >
< Bangalore 560 012 | IISc, Bangalore >
< INDIA | >
< e-mail: | e-mail: >
< agmenon@vigyan.iisc.ernet.in | sastry@ee.iisc.ernet.in >
< agmenon@isu.iisc.ernet.in | >
< agmenon@mass.isu.iisc.ernet.in | >
------------------------------------------------------------------------

******************************************************************************
Date: Mon, 17 Jul 1995 11:01:35 +0500 (GMT+0500)
From: Prof A G Menon <agmenon@hamsadvani.serc.iisc.ernet.in>
Subject: Interpretation of Mass Spectra.

We have read with great interest the discussion related to obtaining


elemental composition information of fragments from
low resolution mass spectra.

At the Indian Institute of Science, Bangalore (India) we have been


developing programs to do just this over the last few years
(a report of our early effort may be seen in RCM, Vol.6, pp.585-591, 1992).
The program is written in C and runs on DOS (IBM PC). The current
version of the program is fairly general and can take care of
arbitrary number of elements with arbitrary isotopes.
The user can include any element (including hypothetical ones) by
simply typing one line in a table giving a name to the element
and specifying its nominal mass and all isotopes with isotopic ratios.
Currently the table contains 36 elements that we have typed in but any
more can be added. Any knowledge of presence/absence of elements in the
compound can be input to the program and it shortens the search and the
suggestions thrown up by the program. The program needs the spectrum as
a table of m/e vs. intensity numbers (or raw intensity data). Since it
relies on isotopic signatures, ALL peaks must be input. Currently
the program can take care of elements with upto 17 isotopes. Its
theoretically calculated isotopic signature can span 63 mass numbers
on either side of the nominal peak. Since the program mainly relies on
isotopic signatures, the method of ionization by which the spectra are
obtained is of no consequence.
We have been fairly successful with text-book spectra
(McLafferty's 3rd edition) and spectra of a few organometallic compounds.
we are looking for some "real" spectra to test our programs. Anyone who
would like to help us (or has a problem interpreting their spectra
and is willing to try our program) could send the spectra to us (m/e to
intensity table) and we could report the output of our System.
We would be grateful for some help, by way of spectra, for two
classes of compounds -
(1) organo-metallic compounds and (2) large molecules such as
peptides. If we could have the complete spectra (including, of course
the isotopic peaks) of published (or otherwise "solved" and hence
unclassified) compounds, we could test out our program.
Unfortunately, at present the program is not in a form where anybody can
copy it and use it. It is part of a system under development that tries
to suggest structures and we use the elemental composition of peaks
in trying to evaluate suggested structures. However, we hope to have
a stand alone program ready in a couple of months. We would, of course,
be happy to run the program on any data sent to us and report results.
(People who want to help us can send spectra by e-mail to
agmenon@vigyan.iisc.ernet.in).

________________________________________________________________________
< A. G. Menon | P. S. Sastry >
< Instrumentation and Services Unit | Department of >
< Indian Institute of Science | Electrical Engineering >
< Bangalore 560 012 | IISc, Bangalore >
< INDIA | >
< e-mail: | e-mail: >
< agmenon@vigyan.iisc.ernet.in | sastry@ee.iisc.ernet.in >
< agmenon@isu.iisc.ernet.in | >
< agmenon@mass.isu.iisc.ernet.in | >
------------------------------------------------------------------------

******************************************************************************
From: rdw@waikato.ac.nz
Subject: Quantitative work with ESMS
Date: 17 Jul 95 17:27:55 +1200
Organization: University of Waikato, Hamilton, New Zealand

Hi,
I'm one of a group of undergraduates looking at the quantitative abilities
of our Universitys newly acquired Electrospray Mass Spectrometry device.
We are tasked to look at anabolic steriods in this assignment, and to
design and test a basic protocol to achieve the main goal. (ie to see
whether this beast can do quantitative analysis, and tell us the concentr-
ations of the standard steriod solutions we send thru it.)

We would greatly appreaciate any wisdom you could pass on; things like
experimental hints, good articles on the subject, fore warning of any pit falls
etc this sort of thing would be really helpful to us.

Thanks very much

R D Winefield
******************************************************************************
From: rdw@waikato.ac.nz
Subject: Quantitative work with ESMS
Date: 17 Jul 95 17:27:55 +1200
Organization: University of Waikato, Hamilton, New Zealand

Hi,
I'm one of a group of undergraduates looking at the quantitative abilities
of our Universitys newly acquired Electrospray Mass Spectrometry device.
We are tasked to look at anabolic steriods in this assignment, and to
design and test a basic protocol to achieve the main goal. (ie to see
whether this beast can do quantitative analysis, and tell us the concentr-
ations of the standard steriod solutions we send thru it.)

We would greatly appreaciate any wisdom you could pass on; things like
experimental hints, good articles on the subject, fore warning of any pit falls
etc this sort of thing would be really helpful to us.

Thanks very much

R D Winefield

******************************************************************************
From: rdw@waikato.ac.nz
Subject: Quantitative work with ESMS
Date: 17 Jul 95 17:27:55 +1200
Organization: University of Waikato, Hamilton, New Zealand

Hi,
I'm one of a group of undergraduates looking at the quantitative abilities
of our Universitys newly acquired Electrospray Mass Spectrometry device.
We are tasked to look at anabolic steriods in this assignment, and to
design and test a basic protocol to achieve the main goal. (ie to see
whether this beast can do quantitative analysis, and tell us the concentr-
ations of the standard steriod solutions we send thru it.)

We would greatly appreaciate any wisdom you could pass on; things like
experimental hints, good articles on the subject, fore warning of any pit falls
etc this sort of thing would be really helpful to us.

Thanks very much

R D Winefield

******************************************************************************
From: rdw@waikato.ac.nz
Subject: Quantitative work with ESMS
Date: 17 Jul 95 17:27:55 +1200
Organization: University of Waikato, Hamilton, New Zealand

Hi,
I'm one of a group of undergraduates looking at the quantitative abilities
of our Universitys newly acquired Electrospray Mass Spectrometry device.
We are tasked to look at anabolic steriods in this assignment, and to
design and test a basic protocol to achieve the main goal. (ie to see
whether this beast can do quantitative analysis, and tell us the concentr-
ations of the standard steriod solutions we send thru it.)

We would greatly appreaciate any wisdom you could pass on; things like
experimental hints, good articles on the subject, fore warning of any pit falls
etc this sort of thing would be really helpful to us.

Thanks very much

R D Winefield

******************************************************************************
From: ERI@mindlink.bc.ca (Bill Trembath)
Subject: Organic Analytical Chemist Required
Date: Mon, 17 Jul 1995 18:20:57 GMT
Organization: MIND LINK! - British Columbia, Canada

Organic Analytical Chemist Required

A rapidly growing advanced analytical services company based in Vancouver, B.C.,


Canada
requires an experienced, hands-on scientist to join the newly formed advanced
organic analysis
team. Services provided by a "state of the art" triple quadrapole mass spectrometer
complete
with atmospheric pressure chemical and electrospray ionization and gas
chromatographic
capabilities is in demand from existing and potential clients (primarily
pharmaceutical sector)
worldwide.

Candidates must have an M.Sc. or higher academic qualification and significant


analytical
instrumentation experience with HPLC and GC/MS. Duties will include new methods
development for pharmaceutical samples as well as routine sample preparation and
instrument
operations. The best candidate will have extensive experience in sample preparation
particularly
with liquid/liquid, solid phase separation and derivatization techniques. The
candidate must also
be well motivated, a self starter, work well in both research and production
environments and
will also act on their own initiative to the overall benefit of the company's
organic department.

Interested candidates should submit CVs with contact address and phone number
immediately
to fax: (604) 986-0071. Short-listed applicants will be contacted before August 1,
1995 for
interview.

******************************************************************************
From: anbar_a@caltech.edu (A. D. Anbar)
Subject: Re: Stability of ICPMS
Date: Mon, 17 Jul 1995 12:23:25 -0800
Organization: The Lunatic Asylum, California Institute of Technology

In article <3u3l1q$eh1@acmex.gatech.edu>, greg@sciex.com (Greg King) wrote:

> In article <3u0vmb$h6e@acmex.gatech.edu>, fan@pangea.usask.ca (Jhianzong


> Fan) wrote:
>
> : Recently, I ran several batches of rock samples (sintered by sodium
> : peroxide). The unstable signal of all standards on Zr, Hf kind of puzzled
> : me. I selected three readings for each analyte. Zr (200 ppb, with ~120000
> : cps) in standard solution have RSTD ~10 to 15%, comparing to ~2 to 5% for
> : other elements such as rare earth elements. Zr responses in sample
> : solutions
> : also have RSTD ~2 to 5%, which are normal. This phenomennon was not
> : observed before. One obvious diference between sample solution and
> : standard solution is that sample solution has higher TDS.
> : The three readings of the standard solution is increasing, with maximum
> : on the third reading, and it looks to me the correct one.
> : Anyone on network has any idea to explain this phenomenon?
>
> I'm not even going to speculate on sources of signal fluctuation.
> Have you tried using an internal standard?
>
> Greg
>
I second this recommendation.

However, if problems persist, look closely at the data. I saw some similar
results with Os, _using an internal standard_. The behavior was quite
bizzare, with one isotope behaving "normally", while the other grew in
intensity continuously during the run, and took a long time to wash out.

As best I can figure it, the standard and the normal I used must have been
different species, which did not equilibrate when mixed. The "misbehaving"
isotope must have been in a form which adhered to the Tygon sampling tube,
and therefore did not rinse efficiently into the plasma. Think of it as
Tygon chromatography... :)

This actually makes sense for Os, which is known to form very strong
complexes which equilibrate very slowly under benchtop conditions. I'd be
surprised if Zr shows any similarity, but you never know...

Ariel

--
_____________________________________________________________________
A. D. Anbar anbar_a@caltech.edu
Mail Stop 170-25 Tel: (818) 395-6982
Division of Geological and Planetary Sciences Fax: (818) 796-9823
California Institute of Technology
Pasadena, CA 91125
_____________________________________________________________________

******************************************************************************
From: cmcgandy@TRENTU.CA
Subject: Iodine analysis via ICP-MS
Organization: Trent University, Peterborough
Date: Tue, 18 Jul 1995 14:49:26 GMT

I am currently a student working on the development of an analytical


procedure to measure Iodine via ICP-MS. I am currently investigating the
source of a 1ppb background that is omni-present. Ideally, I would like this
background to be lower as it is making analysis of samples around 1ppb very
unreliable. If anyone has any ideas, or has worked on iodine analysis via
ICP-MS and could offer advice or point me in the direction of a few journals
it would be greatly appreciated.

Colin

******************************************************************************
From: pggreen@cco.caltech.edu (Peter G. Green)
Subject: Re: Iodine analysis via ICP-MS
Date: Tue, 18 Jul 95 16:23:30 GMT
Organization: Caltech (Environmental Engineering Science)

> I am currently a student working on the development of an analytical


>procedure to measure Iodine via ICP-MS. I am currently investigating the
>source of a 1ppb background that is omni-present. Ideally, I would like this
>background to be lower as it is making analysis of samples around 1ppb very
>unreliable. If anyone has any ideas, or has worked on iodine analysis via
>ICP-MS and could offer advice or point me in the direction of a few journals
>it would be greatly appreciated.
>
> Colin
>
Iodine sticks like crazy and is very hard to rinse out and get backgrounds
down much at all. In brief: replacing all components and rinsing with
nitric+peroxide were suggestions I tried. (Beware, the latter eats nickel
like cheetos.) We now just live with it; it subtracts ok. The only technique
I've heard off that rinses is a Direct Injection Nebulizer. Vendor I
happen to know of is CETAC (Omaha, NE). Don't think I have any literature
references, but CETAC has at least a pamphlet about their DIN. Mercury is
another famously sticky element, which has special tricks and/or for which
Direct Injection might be the best way for serious needs.

Unaffiliatedly,
-Peter Green

******************************************************************************
From: anbar_a@caltech.edu (A. D. Anbar)
Subject: Re: Iodine analysis via ICP-MS
Date: Tue, 18 Jul 1995 11:03:05 -0800
Organization: The Lunatic Asylum, California Institute of Technology

In article <3ugiki$ivm@acmex.gatech.edu>, cmcgandy@TRENTU.CA wrote:

> I am currently a student working on the development of an analytical


> procedure to measure Iodine via ICP-MS. I am currently investigating the
> source of a 1ppb background that is omni-present. Ideally, I would like this
> background to be lower as it is making analysis of samples around 1ppb very
> unreliable. If anyone has any ideas, or has worked on iodine analysis via
> ICP-MS and could offer advice or point me in the direction of a few journals
> it would be greatly appreciated.
>
> Colin

Can you give more details on this background? Is it present in all your
solutions (reagents, pure H2O, etc.)? Are you sure it is really Iodine
(you see only mass 127)?

What I can provide concretely is based on my experience with thermal


ionization mass spec., looking at negative ions. Halide ions are
omni-present in our expts., regardless of sample. Chloride is the most
abundant, but bromide is seen, too. I've never looked for Iodine, but
would not be surprised to find it.

Of course, since we use alot of HCl generally in the lab, and specifically
in my chem. procedures, Cl contamination is not a surprise. I suspect the
other halogens are present as impurities in the HCl. Since Cl, Br and I
all form volatile species, this contamination can be hard to control.

Ariel

--
_____________________________________________________________________
A. D. Anbar anbar_a@caltech.edu
Mail Stop 170-25 Tel: (818) 395-6982
Division of Geological and Planetary Sciences Fax: (818) 796-9823
California Institute of Technology
Pasadena, CA 91125
_____________________________________________________________________

******************************************************************************
From: kull@leland.stanford.edu (Alan Kull)
Subject: Hiden Analytical Mass Specs
Date: Tue, 18 Jul 1995 16:14:38 -0800
Organization: Stanford University

Does anyone out there have any experience with Hiden Analytical Ltd.'s mass
spectrometers, in particular the EQP system? We are evaluating equipment
for detection of radicals in a plasma CVD environment using a molecular
beam mass spectrometer. We have narrowed our choices down to the Hiden
equipment, but I would really like to hear from a few other users before we
start hemorrhaging cash.

Thanks,
Alan

--
Alan Kull
High Temperature Gasdynamics Laboratory
Stanford University
Stanford, CA 94305-3032
415-723-4182
kull@leland.stanford.edu
******************************************************************************
From: verberck@ruca.ua.ac.be (Filip Verberckmoes)
Subject: Ribermag 10-10b : who has one for sale ?
Date: 19 Jul 1995 14:43:21 GMT
Organization: RUCA , Universiteit Antwerpen

Hi,

We posses an old Ribermag 10-10B mass spectrometer from Nermag S.A.


Due to its age, it needs frequent repairs. We are interested in buying
the same spectrometer from someone who has the same machine and is
interested in selling it.

Can someone help us out ?

Dr. F. Verberckmoes
Department of Chemistry
University of Antwerp (RUCA)
Groenenborgerlaan 171
2020 Antwerp
Belgium
e-mail : verberck@ruca.ua.ac.be

******************************************************************************
From: mlgay@ix.netcom.com (Martha L. Gay)
Subject: FDA Symposium on Mass Spectrometry
Date: 19 Jul 1995 23:08:16 GMT
Organization: Netcom

FDA SYMPOSIUM

The FDA will host a two-day symposium entitled "FDA Mass Spectrometry
Symposium: New Challenges, New Techniques", September 12-13, 1995, in
the Voice of America Building, 330 Independence Ave SW, Washington, DC.
Twenty-tw
o lectures will be presented by speakers from academia, industry, and
government. Although there will be no registration fee, participants
are asked to contact either Jack Lay or Jim Sphon to ensure adequate
seating. A bl
ock of rooms has been reserved at the Holiday Inn Capitol(550 C St. SW)
at the government rate of $114. To obtain this rate, reservations must
be made with the Holiday Inn for the FDA symposium by August 9; phone
202-479-
4000.

For further information or a copy of the preliminary program, please


contact Jack Lay, FDA/NCTR, Jefferson, AR 72079, 501-543-7364 (FAX
501-543-7686; email JLAY@FDANT.SSW.DHHS.GOV) or Jim Sphon, FDA,
HFS-717, 200 C St. SW
, Washington, DC 20204, 202- 205-4644 (FAX 202-205-4428; email
J2S@FDACF.SSW.DHHS.GOV).
******************************************************************************
From: Kuangnan.Qian@corp.wrgrace.com
Date: Thu, 20 Jul 95 16:38:57 -0400
Subject: Sourec of Alkylated BT and DBT

I am trying to calibrate MS sensitivities for alkylated benzothiophenes


(BT) and dibenzothiophenes (DBT). Does anyone know where to get these
compounds? Thanks.

K. Qian, Ph.D
qian@wrc.wrgrace.com

******************************************************************************
From: knaack@wsu.edu (Charles Knaack)
Subject: Re: Stability of ICPMS
Date: Thu, 20 Jul 1995 23:03:16 GMT
Organization: W.S.U. Geology Dept.

In article <3u3l1q$eh1@acmex.gatech.edu>, greg@sciex.com (Greg King) wrote:


>
> : In article <3u0vmb$h6e@acmex.gatech.edu>, fan@pangea.usask.ca (Jhianzong
> : Fan) wrote:
> :
> : : Recently, I ran several batches of rock samples (sintered by sodium
> : : peroxide). The unstable signal of all standards on Zr, Hf kind of puzzled
> : : me. I selected three readings for each analyte. Zr (200 ppb, with ~120000
> : : cps) in standard solution have RSTD ~10 to 15%, comparing to ~2 to 5% for
> : : other elements such as rare earth elements. Zr responses in sample
> : : solutions
> : : also have RSTD ~2 to 5%, which are normal. This phenomennon was not
> : : observed before. One obvious diference between sample solution and
> : : standard solution is that sample solution has higher TDS.
> : : The three readings of the standard solution is increasing, with maximum
> : : on the third reading, and it looks to me the correct one.
> : : Anyone on network has any idea to explain this phenomenon?
> :
> : I'm not even going to speculate on sources of signal fluctuation.
> : Have you tried using an internal standard?
> :
> : Greg
> :

I see at least two possible sources of problems in addition to the need


to use an internal std: Matrix matching and Zr, Hf hydrolization. I've
been analyzing REEs and other trace elements in rocks by ICP/MS for more
than six years and have come to appreciate the differences that sample
matrices can have. I've spent quite a bit of time trying different
dissolution methods and was plauged by failure with all of the Na and K
peroxide and fluoride fusion schemes. The high TDS of the alkali sinter
techniques seemed to create more problems than they solved. Especially if
you are calibrating with synthetic, as opposed to rock, standards. Watch
your internal standard RSTD and intensity change back and forth in direct
correlation to changing matrix! The high TDS solutions can also lead to
salting and clogging of nebulisers and cones. I've seen intensities
fluctuate wildly as a nebuliser salted with a high TDS sample and then
recover as the the neb clears itself during the wash cycle. A Babington
style nebuliser is a must for high TDS solutions. Better yet, reduce your
TDS levels. I now use a Li-tetraborate fusion followed by HF/HClO4
dissolution. This takes of refractory phases like zircon, sphene, garnet,
etc..., while the HF volitilizes off the bulk of my matrix (Si, B). The
second possible problem I see is keeping Zr and Hf in solution. I've had
problems in the past with erratic Zr and Hf counts if the solutions
weren't stabilized with a trace of HF. Neither of these two elements seem
to like being in solution and will apparently hydrolize and drop out of
solution. I've seen Zr counts in a given solution drop two orders of
magnitude while the REEs and other trace elements remained unchanged.

Good luck,
Charles

--
Charles Knaack
Geoanalytical Laboratory
Washington State University
Pullman, WA 99164
Knaack@wsu.edu

******************************************************************************
From: rshouk@iastate.edu (Robert S Houk)
Subject: Re: Iodine analysis via ICP-MS
Date: 21 Jul 1995 14:33:08 GMT
Organization: Iowa State University, Ames, Iowa USA

In article <3ugiki$ivm@acmex.gatech.edu>, <cmcgandy@TRENTU.CA> wrote:


> I am currently a student working on the development of an analytical
>procedure to measure Iodine via ICP-MS. I am currently investigating the
>source of a 1ppb background that is omni-present. Ideally, I would like this
>background to be lower as it is making analysis of samples around 1ppb very
>unreliable. If anyone has any ideas, or has worked on iodine analysis via
>ICP-MS and could offer advice or point me in the direction of a few journals
>it would be greatly appreciated.
>
> Colin
>
>
Dear Colin,
Iodine is one of the worst elements for memory effects. It readily
sticks in the spray chamber and on the walls of the peristaltic pump
tubing, very hard to rinse out completely. If the iodine levels are
over a few ppb, i suggest the direct injection nebulizer (DIN). See
Anal. Chem 1991, Vol. 63, p. 219. There is no spray chamber, which
minimizes memory substantially. Can buy these from CETAC, call
800-369-CTAC. There are also some papers on meas. of I-129 (a bad
radioisotope) especially by Ros Cox in JAAS a year or two ago. memory
not nearly so bad for I-129 because it isn't around (hopefully).
Regards,
Sam Houk
--
Sam Houk
rshouk@iastate.edu

******************************************************************************
From: pggreen@cco.caltech.edu (Peter G. Green)
Subject: Help! Inexplicable background problem.
Date: Fri, 21 Jul 95 17:05:54 GMT
Organization: Caltech (Environmental Engineering Science)

I'm looking for ANY suggestions of what to do about a background


problem I'm having on a quadrupole mass spectrometer. We see a
signal at all times which appears at about mass 150 and worsens
smoothly as one sweeps to heavier masses.

Some specifics:

Astoundingly, it is present even when the ion source is off. Even when it
has been off overnight, or even for days. (At the moment it roughly
doubles in size when the source is on, but previously one could hardly see
an increase at all.)

It scales with the mass selected (thus the voltages on the rods) roughly
to the first or second power.

It ranges in intensity from 10s to 100s of counts-per-second. (And is


actually below discernability at masses below about 100 or 150amu.)

The counts, as seen 'live' at the (amplified) output (before discrimination


and counting) look exactly like normal ion signals. (At first I figured it
was electrical pick-up from the rods' Vac.)

We have put in a new detector, in fact one of a different type, with no


effect.

The vacuum is fine (same as for years), as is overall instrument


performance.

We have also changed an ionization gauge, and had no effect on the


background problem.

The size of this background varies by factors of two to several on


timescales of seconds, 10s of seconds, minutes, 10s of minutes, hours,
days, weeks and months. (Years we'll have to wait and see!) Now
this strikes us all as really strange.

Well, that's what I see. Luckily it has so far always stayed small enough
that it only interferes a little with some experiments, or badly with a few
specialized measurements. But, it is a definite annoyance, and complete
baffler to date.

Any and all suggestions (posted here or by email) are deeply appreciated!

-Peter Green

^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
Peter G. Green, Ph. D. Senior Scientist
Keck 201 <= on foot (818) 395-3787
Caltech 138-78 <= mail/UPS fax: -3170
Pasadena, CA 91125 USA or -2940
pggreen@cco.caltech.edu Environmental Eng. Sci.
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
Man, I gotta get me one of them new-fangled key-
boards with all the little smiley face buttons!

******************************************************************************
From: wenthold@dante.colorado.edu
Subject: Re: Help! Inexplicable background problem.
Date: 21 Jul 1995 21:34:43 GMT
Organization: University of Colorado at Boulder

In article <3uopv3$g6d@acmex.gatech.edu> pggreen@cco.caltech.edu (Peter G. Green)


writes:

I'm looking for ANY suggestions of what to do about a background


problem I'm having on a quadrupole mass spectrometer. We see a
signal at all times which appears at about mass 150 and worsens
smoothly as one sweeps to heavier masses.

Does it look like ions? Or is it solid noise?

The counts, as seen 'live' at the (amplified) output (before discrimination


and counting) look exactly like normal ion signals. (At first I figured it
was electrical pick-up from the rods' Vac.)

Yep, that's what I suspect. You're probably getting rf pickup


from the quad leads. It's probably pick-up through the detector
wiring. Try adjusting the position of your rf leads and see if that
has any effect.

paul

--
***********************************************************************
* * *
* Dr. Paul G. Wenthold * "It is easier to swallow knowledge *
* JILA * than to acquire it laboriously *
* University of Colorado * from books." *
* Boulder, CO 80309 * Prof. H.M. Wogglebug T.E. *
* (303)492-7768 * *
* * *
***********************************************************************
* I don't speak for JILA. In fact, I doubt they even agree with me! *
***********************************************************************
******************************************************************************
From: KGZC01A@prodigy.com (Fran Fargen)
Subject: Mentor wanted for new user of MS
Date: 22 Jul 1995 18:19:56 GMT
Organization: Prodigy Services Company 1-800-PRODIGY

I have worked in an analytical laboratory for nearly five years, and have
been working with GC's for about a year. My company may soon be getting
a GC-MS and I want to be in good position to be the one selected for
training.

I am looking for people to talk to who could suggest books,classes or


training that would give me suitable background and preparation for the
more formal GC training.

I am not a degreed chemist, but have very strong math and science
aptitude (ACT scores of 30,31 in math, science respectively). I have
worked with and am comfortable with split/splitless injection, purge and
trap, FID, PID, Hall detectors and hve used mainly capilary columns.

I don't yet know the model GC-MS that we are getting.

How about it. Anyone have any suggestions?

Any input will be appreciated!

Fran Fargen kgzc01a@prodigy.com

******************************************************************************
From: David Knapp <david@lace.Colorado.EDU>
Subject: Re: Help! Inexplicable background problem.
Date: 23 Jul 1995 20:05:18 GMT
Organization: University of Colorado at Boulder

pggreen@cco.caltech.edu (Peter G. Green) wrote:


>I'm looking for ANY suggestions of what to do about a background
>problem I'm having on a quadrupole mass spectrometer. We see a
>signal at all times which appears at about mass 150 and worsens
>smoothly as one sweeps to heavier masses.
>
>Some specifics:
>
>Astoundingly, it is present even when the ion source is off.

This is the clincher. If you have no ionization, then you might think there
is a source of some compound which produces its own ions! The only matarial
I know of that does this is a radioactive source.

BUT, you can get ions from collision alone, especially with large molecules.

>Even when it
>has been off overnight, or even for days. (At the moment it roughly
>doubles in size when the source is on, but previously one could hardly see
>an increase at all.)
>
>It scales with the mass selected (thus the voltages on the rods) roughly
>to the first or second power.
>

Does the shape of the signal ever change?

>It ranges in intensity from 10s to 100s of counts-per-second. (And is


>actually below discernability at masses below about 100 or 150amu.)
>
>The counts, as seen 'live' at the (amplified) output (before discrimination
>and counting) look exactly like normal ion signals. (At first I figured it
>was electrical pick-up from the rods' Vac.)
>
>We have put in a new detector, in fact one of a different type, with no
>effect.

DId you change the detector *and* the amplifier?

>The vacuum is fine (same as for years), as is overall instrument


>performance.

Have you put another mass spec on the chamber to see what *it* has to say?

>
>We have also changed an ionization gauge, and had no effect on the
>background problem.
>
>The size of this background varies by factors of two to several on
>timescales of seconds, 10s of seconds, minutes, 10s of minutes, hours,
>days, weeks and months. (Years we'll have to wait and see!) Now
>this strikes us all as really strange.
>
>Well, that's what I see. Luckily it has so far always stayed small enough
>that it only interferes a little with some experiments, or badly with a few
>specialized measurements. But, it is a definite annoyance, and complete
>baffler to date.
>
>Any and all suggestions (posted here or by email) are deeply appreciated!

In my experience, quad heads typically do not do well as you get into


higher and higher q/m.

If you're able to adjust ionization potential *and* deflection potentials


*and* acceleration potentials, you may be able to isolate a certain material
from this.

In any case, the best way to solve this is by systematic elmination of


potential
problems. (in my opinion)

-put on an entirely different mass spec. same signal? then you have a
contamination problem and your current quad head is not a liar. If not,
your current quad head has problems...

-soak the head in ultrasonic cleaner with ETOH/acetone/toluene. Bake it


in a separate vacuum system to the max temp allowed by its specs.
Still see the problem? It's probably not from contamination in the head!
Try different controller. Try mixing different controllers/heads. Same
problems?

In the past, I've been able to "clean" the head and remove errant signals by
baking and running in an oxidizing atmosphere. I know filaments are expensive,
but if you run at a very low number density, it won't make a diff in the
lifetime.

What brand is it?


What analysis do you do with it? (materials)
What kind and brand of vacuum grease do you use?
How often and how hot do you bake it?
How often is the roughing oil changes and with what?
What is your final vacuum acheived with? (ie turbo, cryo, diffusion)
Have you had new users on your equip?
Is this a new problem or has it always been there? Anything else change at the
same time you saw this appear?

Frankly, using a quad m/s to analyze at q/m=150 is pushing it. (again, in


my experience only)

If you'd like to bounce around ideas on this I'd be happy to help.

regards,

david

--
David Knapp
System Administrator, Laser Entrepreneur (303) 492-7113
Department of Geology http://lolita.colorado.edu/david.html
University of Colorado, Boulder david@lolita.colorado.edu

******************************************************************************
From: Dr. Mike Cresswell <100642.2763@CompuServe.COM>
Subject: GC/Mass Spec. odour analysis
Date: 23 Jul 1995 16:29:14 GMT
Organization: MICROBE CONSULTANTS

I am trying to identify a strange sulphurous odour created when


blending some aqueous-based polymer components together. the
odour appears of a slight mercaptan chemistry. Is GC/Mass spec.
o.k. for this? and if not are there any better techniques? Also,
nay ideas on how to set up the GC for identifying such organic
sulphurous odours?
Thanks, Dr. MIKE CRESSWELL

--
Dr. M.A. Cresswell

******************************************************************************
From: pggreen@cco.caltech.edu (Peter G. Green)
Subject: Re: general question about mass spectropy
Date: Mon, 24 Jul 95 18:24:06 GMT
Organization: Caltech (Environmental Engineering Science)

>Hello, Netters:
>
>Can anyone out there tell me what mass spectropy can do, and
>what is the basic principle behind it?

See below.
>
>Suppose I have a mixture of octant, octene, hexane, hexene
>and squalane, can I use mass spectropy, to analyze it and to
>find out the mass percentage of each compound?
>
Yes, though like most analytical techniques you'll need
standards (known samples) to quantify.

>Your comments will be appreciated.


>
I'm following up only to sci.chem.analytical and sci.techniques.mass-spec
(a recently inaugurated group).

WHAT IS MASS SPECTROMETRY?

Mass Spectrometry is a highly developed


analytical technique with a dizzying variety of
instruments (both home-made and commercial),
applications and hybridizations with other
techniques. The annual reviews in the journal
Analytical Chemistry are a good source of
information.

In brief, mass spectrometry involves a vacuum


chamber with two features: a way to introduce a
sample so as to both volatilize and ionize the
constituents of the sample, and then a way to
separate these ions by their mass-to-charge ratio
and then detect (often by counting) them.

There are MS techniques to do everything from


hydrogen atoms to large biological
marcomolecules. They can be exceptionally
sensitive (detecting only a few hundred ions of a
given substance), fast (per sample and/or per
constituent), rugged (to a variety of samples),
selective (discriminating amongst different
consituents of the sample),
non-selective, gentle (leaving fragile molecules
intact) and vicious (chewing up everything in the
sample to their constiuent elements).

For you, a quadrupole MS with an EI (electron


impact) and/or CI (chemical ionization) source
and either a septum inlet for gas injection or
better yet an attached Gas Chromatograph (GC-MS
is very common and highly developed commercially)
would easily serve your needs down to
single ppm levels on a mg sample.
-Peter Green

******************************************************************************
From: pggreen@cco.caltech.edu (Peter G. Green)
Subject: Re: Mentor wanted for new user of MS
Date: Mon, 24 Jul 95 19:26:05 GMT
Organization: Caltech (Environmental Engineering Science)

> I have
>worked with and am comfortable with split/splitless injection, purge and
>trap, FID, PID, Hall detectors and hve used mainly capilary columns.
>
>I don't yet know the model GC-MS that we are getting.
>
>How about it. Anyone have any suggestions?
>
I suggest at least that the GC model be one you are already familiar with,
that way there's less new to learn. H-P has lots of well-established
products and training courses taught all over the US (and beyond?). Call
800-227-9770 for info on both. They also have good tutorial books/primers.

>Any input will be appreciated!


>
I'm not affiliated with any company, just a satisfied customer.
-Peter Green

******************************************************************************
From: cody@jeol.com (Chip Cody)
Subject: Re: Quantitative work with ESMS
Organization: JEOL USA, Inc.
Date: Mon, 17 Jul 1995 16:33:47 GMT

In <3udss4$b95@acmex.gatech.edu> RDW@waikato.ac.nz writes:

>Hi,
>I'm one of a group of undergraduates looking at the quantitative abilities
>of our Universitys newly acquired Electrospray Mass Spectrometry device.
>We are tasked to look at anabolic steriods in this assignment, and to
>design and test a basic protocol to achieve the main goal. (ie to see
>whether this beast can do quantitative analysis, and tell us the concentr-
>ations of the standard steriod solutions we send thru it.)

Electrospray will probably not work very well for analyzing anabolic
steroids. If your mass spectrometer has atmospheric pressure CI, that would
be a much better way to ionize the sample. In general, use electrospray for
polar compounds that can undergo proton or cation attachment (in positive-ion
mode, anyway) and use APCI for the less polar materials. Of course, GC/MS and
EI or CI are still perfectly good ways to analyze steroids.

Robert B. Cody
JEOL USA, Inc.

******************************************************************************
From: deline@netcom.com (James Deline)
Subject: Free Mass Spec Software
Organization: NETCOM On-line Communication Services (408 261-4700 guest)
Date: Mon, 24 Jul 1995 23:05:15 GMT

Within the next few days I will be posting the Windows (tm) version of my
program "Mass Fragment Calculator" (tm) to my anonymous ftp site at:

ftp.netcom.com/pub/de/deline/

This is a port of the Macintosh version of my program by Dwight Smith.


It is almost identical in appearance and use.

WHAT IT DOES

The user enters a fragment mass and tolerance, and selects the elements
and ranges of the elements to include in the calculation. The program
will then generate all M+ and M+1 formulae that correspond to the
inputted values. The results are presented in an easy to view,
scrollable list, which can also be sent to the printer. The user can
also edit the atomic masses of the elements used in the calculations.

This program is free!!!

Jim Deline

******************************************************************************
From: A.TREUMANN@dundee.ac.uk (H.J. Treumann Biochemistry ext 4301)
Subject: Re: Quantitative work with ESMS
Date: 25 Jul 1995 10:49:28 +0100
Organization: The University, Dundee, DD1 4HN, Scotland, UK.

Chip Cody (cody@jeol.com) wrote in a reply to RDW@waikato.ac.nz:

: Electrospray will probably not work very well for analyzing anabolic
: steroids. If your mass spectrometer has atmospheric pressure CI, that would
: be a much better way to ionize the sample. In general, use electrospray for
: polar compounds that can undergo proton or cation attachment (in positive-ion
: mode, anyway) and use APCI for the less polar materials. Of course, GC/MS and
: EI or CI are still perfectly good ways to analyze steroids.

I do not agree with this opinion. We had very good responses analysing
phosphatidylinositols in a CHCl3/MeOH mixture on an electrospray mass
spectrometer, both via direct injection and through LCMS with a SiO2 column.

On the other hand there is an inherent negative charge on the phosphate


in these molecules. What, anyway, would be the difference between APCI
and ESI that would make anabolic steroids more amenable to APC ionisation?

Achim
--
Achim Treumann tel. +44-1382-344301
Carbohydrate Research Centre fax +44-1382-322583
Department of Biochemistry
Dundee DD1 4HN, Scotland, UK email a.treumann@dundee.ac.uk

******************************************************************************
From: rskinner@cycor.ca (Ron Skinner)
Subject: Anybody out there want to talk about ion trap ms/ms ect
Date: Tue, 25 Jul 1995 08:42:42 LOCAL
Organization: PEI Food Technology Centre

I am just starting to use the Varian Saturn MS/MS and have been extremely
impressed with the future direction toward ms/ms/ms as well as selected ion
storage. This instrument is becoming an unbelievably powerful tool. In past
full scan capability was a blessing and a curse when severe background was
present but with the SIS and EI/CI- MS/MS.

Maybe we can get a good discussion going as well as a discussion group through
which we can help each other solve interesting problems.

Ron

******************************************************************************
From: fletcher@osprey.csrv.uidaho.edu (Fletcher Rick)
Subject: Re: GC/Mass Spec. odour analysis
Date: 25 Jul 1995 18:27:44 GMT
Organization: University of Idaho, Moscow, Idaho

Dr. Mike Cresswell (100642.2763@CompuServe.COM) wrote:


: I am trying to identify a strange sulphurous odour created when
: blending some aqueous-based polymer components together. the
: odour appears of a slight mercaptan chemistry. Is GC/Mass spec.
: o.k. for this? and if not are there any better techniques? Also,
: nay ideas on how to set up the GC for identifying such organic
: sulphurous odours?

I'm not trying to be goofy here, but I'm seriously wondering if it might
not be more efficient to invite a sulfur chemist in to simply have a
smell. Like wine makers, their noses usually knowses.

Rick
--
T. Rick Fletcher - http://www.chem.uidaho.edu/~fletcher/
Assistant professor of chemistry | That's Idaho, not Iowa. | These
University of Idaho | Upper Left Hand Corner. | opinions
Moscow, ID 83844-2343 | No, I don't grow potatoes. | are mine.

******************************************************************************
From: cmd4973@gold.acns.fsu.edu
Subject: Help! Need resources.
Date: 26 Jul 1995 05:24:21 GMT
Organization: Florida State University

Hi Kids,
I would like to get some suggestions on book resources for reading the MS, IR, and
nmr. I have taken a course in Organics and was never able to fully comprehend
the spectroscopy section. Any additional tricks or suggestions would be
apprieciated.
Your Buddy,
C. Dulay
Senior Bio-Chemistry

******************************************************************************
From: "Chip Cody" <cody@titian.jeol.com>
Date: Wed, 26 Jul 1995 12:45:58 -0400
Subject: Follow-up mail for sci.techniques.mass-spec
Cc: cody@seurat.jeol.com

I've had some trouble automatically posting a follow-up via our news
program, so I'm mailing this directly to mass.spec@gatech.edu. Here's the
message :

----------------------------------------------------------------------------
Re: Quantitative work with ESMS

Achim Treumann (a.treumann@dundee.ac.uk) writes:

>Chip Cody (cody@jeol.com) wrote in a reply to RDW@waikato.ac.nz:

>: Electrospray will probably not work very well for analyzing anabolic
>: steroids. If your mass spectrometer has atmospheric pressure CI, that
would
>: be a much better way to ionize the sample. In general, use electrospray
for
>: polar compounds that can undergo proton or cation attachment (in
positive-ion
>: mode, anyway) and use APCI for the less polar materials. Of course,
GC/MS and
>: EI or CI are still perfectly good ways to analyze steroids.

>I do not agree with this opinion. We had very good responses analysing
>phosphatidylinositols in a CHCl3/MeOH mixture on an electrospray mass
>spectrometer, both via direct injection and through LCMS with a SiO2
column.

>On the other hand there is an inherent negative charge on the phosphate
>in these molecules. What, anyway, would be the difference between APCI
>and ESI that would make anabolic steroids more amenable to APC ionisation?

>Achim

>--
>Achim Treumann tel. +44-1382-344301
>Carbohydrate Research Centre fax +44-1382-322583
>Department of Biochemistry
>Dundee DD1 4HN, Scotland, UK email a.treumann@dundee.ac.uk
It all depends on what you are trying to analyze. If you have a
charged site (as in your example or something like boldenone sulfate),
then ESI will work very well. If, however, you are trying to ionize
an unmodified steroid such as boldenone or testosterone, there is
no site that is easily ionized in electrospray. You are going to have a
hard time getting an M+H -- the best you can hope
to do is add some sodium or potassium and look for a (relatively weak)
cation-attachment peak. I don't believe that there will be a strong
[M-H]- in negative-ion ESI, either, but I haven't tried that myself for
these compounds.

On the other hand, APCI will readily ionize the unmodified steroids
because the ionization occurs in the gas phase.

Robert Cody
JEOL USA, Inc.

--

******************************************************************************
From: tedd@netcom.com (Ted Johnson)
Subject: Any ideas ?
Organization: NETCOM On-line Communication Services (408 261-4700 guest)
Date: Thu, 27 Jul 1995 04:17:56 GMT

Using and Icos 50B GC/MS doing stat human toxicology had a nice peak
(oven program 115 to 297, ramp 11/min.) RT 10 minutes dominantly mass
282; library best match is a Fentanyl analog (don't think so).
Metabolite or parent or breakdown product 1.5 minutes later (also a nice
peak) 282 (100%) 251 (55%) 223 (24%). Doctor suspects tricyclic
antidepressant among several other compounds (Might be a newer tetracyclic).
Got any ideas?

Thanks,

--
********************************************************

tedd@netcom.com GRAVITY: Not just a good idea,


It's the law.
********************************************************

******************************************************************************
From: singley@clinpharm.niaaa.nih.gov (Erick Singley)
Subject: Humidity and derivitization
Organization: (National Institutes of Health, Bethesda, MD)
Date: Thu, 27 Jul 1995 15:44:42 GMT

Background: I've got a HP 5970 with a Phasor HED running Chemstation (windows)
and a 5890 GC with a J&W Scientific DB-225 (50% Cyanopropylophenyl) Methyl-
polysiloxane.

Problem: I"m extracting neurotransmitters (5-HIAA; MHPG; HVA, etc) from


cerebral spinal fluid (acid/base extraction with ethyl acetate), drying, and
derivitising with TFAA and TFE. Everything *was* going all right, but I've got
a rather dramtic drop in peak hights with our SIM scans. People here say
it's a humidity problem (45%) wrecking my anhydrous reaction. (Maryland
in the summer...) Has anyone else had a problem with esterfication or
anyhydrous derivitisation in the summer more than the winter?
What humidity level should I be comfortable with trying again?

I've replaced all my reagents with new (blew nitrogen into bottles to displace
moisture laden air); retuned the MS; and tried running the same samples on
someone else's GC/MS (similar set up) - same results (so I don't think it's
my instrument. no air leaks)

I can always try doing a prep in a cold room here and then trying it, say,
outisde where it's really rotten :) but I' thought I'd ask around to see before
I start wrecking any more samples (bit hard to ask for more CSF after the study
is done...)
Thanks
Erick
--
singley@clinpharm.niaaa.nih.gov

******************************************************************************
From: "75317.1047@compuserve.com (Gary Astle)" <75317.1047@CompuServe.COM>
Subject: Re: Quantitative work with ESMS
Date: 28 Jul 1995 02:14:58 GMT
Organization: ABB Extrel

We had reasonable luck analyzing steroids with Particle Beam


LC/MS several years ago. Another decent technique for relatively
non-polar compounds.

******************************************************************************
From: mlgay@ix.netcom.com (Martha L. Gay)
Subject: Re: Help! Need resources.
Date: 29 Jul 1995 03:06:40 GMT
Organization: Netcom

In <3v5dao$esv@acmex.gatech.edu> cmd4973@gold.acns.fsu.edu writes:


>
>Hi Kids,
>I would like to get some suggestions on book resources for reading the MS,
>IR, and nmr. I have taken a course in Organics and was never able to
fully
>comprehend the spectroscopy section. Any additional tricks or
suggestions
>would be apprieciated.
>
>Your Buddy,
>C. Dulay
>Senior Bio-Chemistry
>
>
Kids???? No offense, but it's been awhile since I've been carded.

For mass spectrometry, the classic text is by Fred McLafferty


(Cornell), called I think, "Organic Mass Spectrometry" or may it's
"Introductory ...". It's in about it's 3rd edition. Has lots of
solved problems. Also Silverstein and Bassler used to have a textbook
about all sorts of spectroscopy, again with lots of solved problems.
The most recent edition I've seen is quite old, however.

******************************************************************************
From: mlgay@ix.netcom.com (Martha L. Gay)
Subject: Re: Mentor wanted for new user of MS
Date: 29 Jul 1995 03:13:25 GMT
Organization: Netcom

In <3v05nu$8sp@acmex.gatech.edu> KGZC01A@prodigy.com (Fran Fargen) writes:


>
>I have worked in an analytical laboratory for nearly five years, and have
>been working with GC's for about a year. My company may soon be getting
>a GC-MS and I want to be in good position to be the one selected for
>training.
>
>I am looking for people to talk to who could suggest books,classes or
>training that would give me suitable background and preparation for the
>more formal GC training.
>
>I am not a degreed chemist, but have very strong math and science
>aptitude (ACT scores of 30,31 in math, science respectively). I have
>worked with and am comfortable with split/splitless injection, purge and
>trap, FID, PID, Hall detectors and hve used mainly capilary columns.
>
>I don't yet know the model GC-MS that we are getting.
>
>How about it. Anyone have any suggestions?
>
>Any input will be appreciated!
>
>Fran Fargen kgzc01a@prodigy.com
>
>
>You will almost certainly be using capillary columns. I would suspect
from what you say that your company will be getting a benchtop mass
spec of some sort. They tend to have H/P, Varian, or Carlo Erba gc's,
though new Finnigans may have something else. Learn as much as you
can.

But, you are interested in getting to use the mass spec., so - do you
know anyone who has one? Any local universities or discussion groups?
By all means let everybody know you are interested. Good luck. Martha
Gay

******************************************************************************
From: "K.R. Jonscher" <krj@u.washington.edu>
Subject: Re: Anybody out there want to talk about ion trap ms/ms ect
Date: 29 Jul 1995 19:52:41 GMT
Organization: UW

Absolutely! I've been spending my graduate career working on


an instrument (Finnigan) that was the pre-prototype for the
LCQ. I'm a definite ion trap afficianado and would love to
interface with other people about the tricks and traps of ion
traps.

******************************************************************************
From: "K. Murray" <kmurray@emory.edu>
Subject: Re: Help! Need resources.
Date: 31 Jul 1995 14:49:01 GMT
Organization: Emory University

mlgay@ix.netcom.com (Martha L. Gay) wrote:


>In <3v5dao$esv@acmex.gatech.edu> cmd4973@gold.acns.fsu.edu writes:

>>Hi Kids,
>>I would like to get some suggestions on book resources for reading the MS,
>>IR, and nmr. I have taken a course in Organics and was never able to
>fully comprehend the spectroscopy section. Any additional tricks or
>suggestions would be apprieciated.

>For mass spectrometry, the classic text is by Fred McLafferty


>(Cornell), called I think, "Organic Mass Spectrometry" or may it's
>"Introductory ...". It's in about it's 3rd edition.

McLafferty and Turecek's "Interpretation of Mass Spectra" is in


the fourth edition. Publisher:

University Science Books


20 Edgehill Road
Mill valley, CA 94941
Fax: 415-383-3167
ISBN 0-935702-25-3

Kermit Murray
kmurray@emory.edu

******************************************************************************
From: mdziewat@postbox.acs.ohio-state.edu (Mike Dziewatkoski)
Subject: Simion Time of Flight Modeling
Date: Mon, 31 Jul 1995 23:46:00 GMT
Organization: The Ohio State University

I am a user of the PC version of Simion. I would like to hear from anyone


out there who is familiar with using the PC version of Simion and knows how to
extract ion flight time information from the program. Specifically, I am
interested in knowing how long it takes an ion of given mass and kinetic
energy to travel a certain distance through the ion lens system and
quadrupoles and how this time varies with trajectory.

Thanks in advance,

Mike Dziewatkoski
Ohio State University

******************************************************************************
From: heinen@rulg18.leidenuniv.nl (Wouter Heinen)
Subject: Mass Spectrometry Anhydrides
Date: 1 Aug 1995 07:30:31 GMT
Organization: Leiden University, The Netherlands

L.S.!

In the mass spectra of 2-alkyl substituted succinic anhydrides


(1,4-butanedioic acid anhydride) I encountered a prominent peak
at m/z 69, which I have trouble identifying. Any ideas are
most welcome.
Thanks, Wouter Heinen

--
__________________________________________________

Wouter Heinen
Gorlaeus Laboratories
Rijksuniversiteit Leiden
P.O.Box 9502
2300 RA Leiden
The Netherlands
tel ++ 31 71 274472
fax ++ 31 71 274488 :-)
__________________________________________________

#######################################################
From: rjnemery@uniwa.uwa.edu.au (Neil Emery)
Subject: Re: Humidity and derivitization
Date: 2 Aug 1995 09:36:29 GMT
Organization: The University of Western Australia

In article <3v8iqv$cma@acmex.gatech.edu>, singley@clinpharm.niaaa.nih.gov (Erick


Singley) says:

>Problem: I"m extracting neurotransmitters (5-HIAA; MHPG; HVA, etc) from


>cerebral spinal fluid (acid/base extraction with ethyl acetate), drying, and
>derivitising with TFAA and TFE. Everything *was* going all right, but I've got
>a rather dramtic drop in peak hights with our SIM scans. People here say
>it's a humidity problem (45%) wrecking my anhydrous reaction. (Maryland
>in the summer...) Has anyone else had a problem with esterfication or
>anyhydrous derivitisation in the summer more than the winter?
>What humidity level should I be comfortable with trying again?
I assume you've tried cleaning the ion source although you didn't mention it
in your message.

I've had problems getting rid of water when I make TMS derivatives, and try to
get around this by adding methylene chloride as an azeotrope and evaporating under
a stream of N2
I don't have any experience with TFAA/TFE, but perhaps my comments might help, as
noone else appears
to be answering. If they are I'd appreciate seeing the responses posted, since I
think the problem
is of general appeal.

Neil
>

#######################################################
From: cato.brede@kjemi.uio.no (Cato Brede)
Subject: Electron background in quadropoles?
Date: 2 Aug 1995 10:20:50 GMT
Organization: Universitet i Oslo

I'm referring to an article by Brown et.al., Journal of Analytical Atomic


Spectrometry,
3 (1988), 763-769. In the introduction part it is said:

"Altough there are significant populations of negative ions available for sampling
form
the argon ICP, the detection limits obtained with negative ion operation are
generally
higher as a result of elevated background signals. Background count rates,
presumably from
electrons, are of the order of 1000 counts/s, which is not unusual with negative
ion
operation."

Question:
How do the electrons pass the quadropole analyzer and reach the detector?

Possible answer:
Is it possible that some electrons gain enough energy (and velocity) to pass the
quadropole
without beeing deflected.

Suggestions and references on the matter are appreaciated (mail or follow-up


article) !

Cato Brede
Dept. of Chemistry
University of Oslo, NORWAY

#######################################################
From: David West <west@oxy.edu>
Subject: any ideas
Date: 2 Aug 1995 17:20:25 GMT
Organization: Occidental College

Ted: I'm not a REAL mass spectroscopist, but your spectrum rings a bell. I think
I got the same one on my HP GC-MS last year and, even though it showed a nice GC
peak at about 10 min., it was actually silicone contamination! I would like a
real mass spectroscopist to tell me how contamination can show up as a nice G.C.
peak. Thank you all.
Dave West

#######################################################
From: Heinrich Luftmann <luftman@uni-muenster.de>
Subject: Re: Simion Time of Flight Modeling
Date: 3 Aug 1995 07:53:01 GMT
Organization: Org.Chem.Inst. Uni. Muenster

I am using an old PC version (V4.02) of SIMION. With this it is possibel


either to fix time markers on the ion traces, or you can read from the
dialog file the conditions for the ion (coordinates, speed, angle and
TOF) at the point where it leaves the modelled area.
Maybe this will help you.

Heinrich Luftman ,
Univ. of Muenster

#######################################################
From: karr@well.com (Dane Karr)
Subject: Re: any ideas
Date: 3 Aug 1995 14:15:19 GMT
Organization: TET

In article <3vod7e$al0@acmex.gatech.edu>, David West <west@oxy.edu> wrote:

> Ted: I'm not a REAL mass spectroscopist, but your spectrum rings a
bell.I >think I got the same one on my HP GC-MS last year and, even though
it showed a >nice GC peak at about 10 min., it was actually silicone
contamination! I would >like a real mass spectroscopist to tell me how
contamination can show up as a >nice G.C. peak. Thank you all.

I didn't catch the original post but your description sounds like septum
bleed to me. When the oven cools down, silicone decomposition products
from the septum can focus at the head of the column. When you do your next
GC run, a nice sharp GC peak (or a series of them) show up with ions
characterisic of silicone. This can be reduced by using low bleed septa
and changing septa frequently.

Dane

--
Dane Karr
karr@well.com

#######################################################
Date: Thu, 03 Aug 1995 18:58:13 +0000 (GMT)
From: ddxdd@IMAP1.ASU.EDU
Subject: Re: Simion Time of Flight Modeling
Organization: daves not here
Mike Dziewatkoski (mdziewat@postbox.acs.ohio-state.edu) wrote:
: I am a user of the PC version of Simion. I would like to hear from anyone
: out there who is familiar with using the PC version of Simion and knows how to
: extract ion flight time information from the program. Specifically, I am
: interested in knowing how long it takes an ion of given mass and kinetic
: energy to travel a certain distance through the ion lens system and
: quadrupoles and how this time varies with trajectory.

: Thanks in advance,

: Mike Dziewatkoski
: Ohio State University

this should be fairly straightforward. first, set up your potential arrays


and refine them. before running a simulation, go back to the main menu
and clear the dialog file (it records everything in your session).
depending on your potentials on the lenses, select appropriate initial
kinetic energies for your ions, and you can even start them at different
angles to see how the flight time changes with trajectory. when running
your simulation, and it asks if you want graphic printout, select no.
you will get a page (or more) of data from your simulation, and at the
bottom of this list somewhere will be SPLAT!, indicating the time that the
ion impacts the detector or stop plane. you can them go back to the main
menu and print out this whole dialog. be warned, however, that if you
don't clear the dialog before you start, many, many pages will spew
forth from your printer.

-d^2

#######################################################
From: HAIGH@frost.oit.umass.edu (Paul E Haigh)
Subject: Re: any ideas
Date: 4 Aug 1995 14:06:44 GMT
Organization: University of Massachusetts, Amherst

Dane Karr (karr@well.com) wrote:


: In article <3vod7e$al0@acmex.gatech.edu>, David West <west@oxy.edu> wrote:

: > Ted: I'm not a REAL mass spectroscopist, but your spectrum rings a
: bell.I >think I got the same one on my HP GC-MS last year and, even though
: it showed a >nice GC peak at about 10 min., it was actually silicone
: contamination! I would >like a real mass spectroscopist to tell me how
: contamination can show up as a >nice G.C. peak. Thank you all.

: I didn't catch the original post but your description sounds like septum
: bleed to me. When the oven cools down, silicone decomposition products
: from the septum can focus at the head of the column. When you do your next
: GC run, a nice sharp GC peak (or a series of them) show up with ions
: characterisic of silicone. This can be reduced by using low bleed septa
: and changing septa frequently.
I didn't see the original post either, but we have run into silicon
problems in ICP-MS because of latex glove powder. You may have done a
minor extraction upon your gloves, or had some of the dust flying
about in the lab.

Maybe??

good luck

pbh

#######################################################
From: Martin Mach <Martin.Mach@trw.com>
Subject: Plasma Chromatography
Date: 4 Aug 1995 16:00:57 GMT
Organization: TRW Space & Electronics Group, Redondo Beach, CA

I would appreciate information on manufacturers of and newsgroups on plasma


chromatography or
ion mobility spectrometry. Thanks. mmach@amelia.sp.trw.com

#######################################################
Date: 4 Aug 1995 19:21:22 -0700
From: "Bud Buttrill" <bud.buttrill@grc.varian.com>
Subject: Bay Area MS Discussion Grou

The next meeting of the Bay Area Mass Spectrometry discussion group will be at
the Sheraton Inn in Sunnyvale, CA.

Speaker: Prof. Rick Yost, Dept. of Chem., Univ. of Florida, Gainsville


Title: New Directions in Ion Trap Mass Spectrometry
Date: Monday, August 28, 1995
Time: 6:00pm social hour
7:00pm dinner
8:15pm lecture.

Reservations for dinner required by Aug. 23. Contact Carolyn Koester, BAMS
Secretary at koester1@llnl.gov

#######################################################
Date: 4 Aug 1995 19:21:22 -0700
From: "Bud Buttrill" <bud.buttrill@grc.varian.com>
Subject: Bay Area MS Discussion Grou

The next meeting of the Bay Area Mass Spectrometry discussion group will be at
the Sheraton Inn in Sunnyvale, CA.

Speaker: Prof. Rick Yost, Dept. of Chem., Univ. of Florida, Gainsville


Title: New Directions in Ion Trap Mass Spectrometry
Date: Monday, August 28, 1995
Time: 6:00pm social hour
7:00pm dinner
8:15pm lecture.

Reservations for dinner required by Aug. 23. Contact Carolyn Koester, BAMS
Secretary at koester1@llnl.gov

#######################################################
From: tedd@netcom.com (Ted Johnson)
Subject: Any ideas ?
Organization: NETCOM On-line Communication Services (408 261-4700 guest)
Date: Sun, 6 Aug 1995 15:39:56 GMT

Not to discount the septa bleed theory but, we run 7 MSD's, an INCOS 50
and a TSQ 7000, use low bleed septa and this peak was also present in
repeat injections and different instruments and new extractions. I just
hate it when you know it's something and the MD's say "are you sure the
Tox. report was negative?". Thanks for the help.
--
********************************************************

tedd@netcom.com GRAVITY: Not just a good idea,


It's the law.
********************************************************

#######################################################
From: stoeri@eapv38.tuwien.ac.at (Herbert Stoeri)
Subject: Re: Electron background in quadropoles?
Date: 7 Aug 1995 14:47:39 GMT
Organization: Institut fuer Allgemeine Physik, TU Wien

In article <3vo0c0$e9k@acmex.gatech.edu>, cato.brede@kjemi.uio.no (Cato


Brede) wrote:

> I'm referring to an article by Brown et.al., Journal of Analytical Atomic


> Spectrometry, 3 (1988), 763-769. In the introduction part it is said:
>
> "Altough there are significant populations of negative ions available for
> sampling form the argon ICP, the detection limits obtained with negative
> ion operation are generally higher as a result of elevated background
> signals. Background count rates, presumably from electrons, are of the
> order of 1000 counts/s, which is not unusual with negative ion operation."
>
> Question:
> How do the electrons pass the quadropole analyzer and reach the detector?
>
> Possible answer:
> Is it possible that some electrons gain enough energy (and velocity) to
> pass the quadropole without beeing deflected.
>
> Suggestions and references on the matter are appreaciated (mail or follow-up
> article) !
>
> Cato Brede
> Dept. of Chemistry
> University of Oslo, NORWAY
Dear Dr.Brede!

The suppression of charged particles in a quadrupole mass analyzer depends


critically on the number of r.f.cycles spent in the analyzer. particles of
wrong mass/charge ratios are ejected by exponnentially increasing
oscillation ampltudes. Therefore very fast particles always pass. Very
fast particles are either very light (electrons) or very energetic. While
you can suppress fast ions with a electrostatic deflector, there are
hardly any practical methods to seaparate slow negative ions from slow
electrons.

Furthermore the extraction of negative ions from a plasma is much more


difficult and inefficient than the extration of positive ones. this
depends on the polarity of the plasma sheath in front of your sampling
orifice. Due to the influence of the electrons the plasma is (nearly)
always on a postive potential compare to the extraction orifice.

Another type of mass spectrometer would solve the first problem, but not
the second one.

Herbert Stoeri
Institut fuer Allgemeine Physik
Arbeitsgruppe Plasmatechnik
Technische Universitaet Wien
AUSTRIA

#######################################################
From: "K. Murray" <kmurray@emory.edu>
Subject: STMS through the WWW
Date: 9 Aug 1995 00:32:46 GMT
Organization: Emory University

I have the STMS posts from the listserver mailings archived under
http://tswww.cc.emory.edu/~kmurray/stms.html
It's searchable as are some pages of MS links at
http://tswww.cc.emory.edu/~kmurray/mslist.html

Many thanks to all who have submitted pages and linked my page
and others. Mass spec on the WWW is much more of a web now than it
was even six months ago.

Kermit Murray
kmurray@emory.edu

#######################################################
Date: Wed, 9 Aug 1995 15:31:45 +0000
From: Peter.Davies@mrc-dunn.cam.ac.uk (PSW Davies)
Subject: Stable isotope equipment information wanted

I am setting up a stable isotope facility in Brisbane in the near future,


and want to hear from any nearby users, especially the equipment in use and
the isotopes being measured
#######################################################
From: park@netcom.com (Bill Park)
Subject: Styles of Mass Spectrometry Usage?
Organization: Netcom Online Communications Services (408-241-9760 login: guest)
Date: Wed, 9 Aug 1995 19:00:09 GMT

I am curious about differences between the way people use mass


spectrometry in semiconductor manufacturing and the way they
use them in biology/chemistry.

In particular, are there some well-known solutions to


problems in one domain that would benefit users in the
other?

For example, I understand that quadrupole mass spectrometers


used in semiconductor processing are more sensitive, operate
at higher vacuums, and can withstand higher temperatures
(e.g., for bakeout at 450 degrees C). On the other hand, in
the semiconductor business they do not seem to use any
intelligent pattern recognition to, e.g., automatically
detect the presence of contaminants or identify their
sources. Surely, such automated recognition techniques must
be widely used in bio/chem by now? After all, one of the
early successes in the history of artificial intelligence
was the DENDRAL project at Stanford that developed programs
that could identify molecules from their mass spectra.* In
some experiments, Stanford's programs could identify
mixtures of compounds when human experts couldn't.

That project began in the mid-sixties, so I would expect


there to have been considerable progress since then and that
commercial products now routinely exploit these research
results.

Thanks for any ideas, and please post them here in


sci.techniques.mass-spec.

Bill Park
=========

* -- Barr & Feigenbaum, _The Handbook of Artificial


Intelligence_, Vol. 2, Wm. Kaufmann, Inc., ISBN
0-86576-004-7 (set), 1982, section VII-C-2.

#######################################################
From: deline@netcom.com (James Deline)
Subject: Free Mass Spec Software
Organization: NETCOM On-line Communication Services (408 261-4700 guest)
Date: Thu, 10 Aug 1995 02:44:40 GMT

Just to let you know...

My freeware program "Molecular Fragment Calculator", or "MF Calc", can


now be accessed at the Cambridge Scientific web site at:

http://www.camsci.com/others/shareware/mfcalc.html
The program is available for both the Macintosh and Windows platforms.

Program design & Mac version: James Deline


Windows version: Dwight Smith

#######################################################
From: park@netcom.com (Bill Park)
Subject: Re: Free Mass Spec Software
Organization: Netcom Online Communications Services (408-241-9760 login: guest)
Date: Thu, 10 Aug 1995 19:55:15 GMT

In article <40ctsi$4c@acmex.gatech.edu> deline@netcom.com


(James Deline) writes:

> My freeware program "Molecular Fragment Calculator", or "MF Calc", can


> now be accessed at the Cambridge Scientific web site at:
>
> http://www.camsci.com/others/shareware/mfcalc.html
>
> The program is available for both the Macintosh and Windows platforms.
>
> Program design & Mac version: James Deline
> Windows version: Dwight Smith

Hmmmmm ....

netcom7/u9/park% lynx http://www.camsci.com/others/shareware/mfcalc.html/

403
Forbidden

403 FORBIDDEN

Your client does not have permission to get URL


/others/shareware/mfcalc.html/ from this server.

#######################################################
From: Ian Michael <ian-michael@impub.demon.co.uk>
Subject: European Mass Spectrometry 1/3 Abstracts
Date: Thu, 10 Aug 95 14:47:47 GMT
Organization: IM Publications

The abstracts for the next issue of European Mass Spectrometry, due for
publication on 28 August are detailed below.
--
Ian Michael

IM PUBLICATIONS Publishers of:


6 Charlton Mill European Mass Spectrometry
Charlton Spectroscopy Europe
Chichester NIR news
West Sussex PO18 0HY Journal of Near Infrared Spectroscopy
UK
Tel: +44(0)1243-811334
Fax: +44(0)1243-811711
ian-michael@impub.demon.co.uk
-------------------------------------------------------------------------------
**** EUROPEAN MASS SPECTROMETRY ****

============================================
VOLUME 1 ISSUE 3 1995 Abstracts and Contents
============================================

European Mass Spectrometry (ISSN 1356-1049) is a new journal in 1995 with


a world-wide circulation published by IM Publications.

European Mass Spectrometry is bimonthly and approximately 700 pages will be


published in the first volume. Subscription prices are Pounds Sterling 250/
US$450.

Free sample copies of the journal are available; please send e-mail to
ian-michael@impub.demon.co.uk, fax on +44-1243-811711 or write to
IM Publications, 6 Charlton Mill, Charlton, Chichester, West Sussex PO18 0HY,
United Kingdom. Please include the following information:

1) Your name, address and fax number


2) Your job title
3) Your area(s) of interest in mass spectrometry

Copies of Instructions for Authors are also available from the same source
and an e-mail version can be sent to you quickly.

MANAGING BOARD
Professor Allan Maccoll (London)
Professor Hans-Friedrich Gruetzmacher (Bielefeld)
Professor J.H. Bowie (Adelaide)
Professor L. Ceraulo (Palermo)
Professor Oleg S. Chizhov (Moscow)
Professor Peter J. Derrick (Warwick)
Professor Juergen Grotemeyer (Wurzburg)
Professor John L. Holmes (Ottawa)
Professor Keith R. Jennings (Warwick)
Professor Mamoru Ohashi (Tokyo)
Professor Jean-Claude Prome (Toulouse)
Professor Douglas P. Ridge (Newark)
Professor Einar Uggerud (Oslo)

EDITORIAL ADVISORY BOARD


Professor T. Ast (Purdue, IN)
Professor A. Benninghoven (Munster)
Professor U. Boesl (Munich)
Dr R.D. Bowen (Bradford)
Dr P.C. Burgers (Hercules)
Dr F.H. Cottee (SmithKline Beecham)
Professor C.E. Costello (Boston, MA)
Professor J.H. Futrell (Delaware)
Professor D.E. Games (Swansea)
Dr F. Grandinetti (Viterbo)
Dr S. Hammerum (Copenhagen)
Professor V. Hanus (Prague)
Professor R. Kaufmann (Dusseldorf)
Professor C.B. Lebrilla (Davis, California)
Professor H. Nakata (Aichi Kyoiku)
Professor M. Przybylski (Konstanz)
Professor L. Radom (Canberra)
Dr C.V. Robinson (Oxford)
Professor B. Rozynov (US EPA)
Professor D.H. Russell (Texas A&M, TX)
Professor B. Samuelsson (Gothenburg)
Professor J. Scrivens (ICI Wilton)
Professor A. Selva (Milan)
Dr M. Sheil (Wollongong)
Professor J.F.J. Todd (Kent)
Professor A. Tatematsu (Nagoya)
Professor J.K. Terlouw (Hamilton, ON)
Dr J.C. Traeger (La Trobe)
Professor P. Traldi (Padua)
Professor M. Tsuchiya (Yokohama)
Professor J. van der Greef (Leiden)
Dr K. Vekey (Budapest)
Professor V.G. Zaikin (Russian Academy of Sciences)

-----------------

EUROPEAN MASS SPECTROMETRY 1(3), 221-330 (1995)

Table of Contents
-----------------

221 Professor K R. Jennings - American Society for Mass Spectrometry Award


for Distinguished Contributions to Mass Spectrometry, 1995

Allan Maccoll

-----------------

223 Determination of kinetic energy release distributions by metastable


peak shape analysis in an ion trap reflectron time-of-flight instrument

Christian Weickhardt and Chava Lifshitz

ABSTRACT:
A procedure for extraction of the kinetic energy release distribution
from the metastable fragment ion peak shape in an ion trap reflectron
time-of-flight mass spectrometer is presented. Peak shapes for a set
of discrete values of kinetic energy releases are calculated and their
contributions to the measured peak shape determined. Information about
the temporal evolution of each component is required in order to get
the correct kinetic energy release distribution. This is obtained by
carrying out the measurements at different times following ion formation.
The method is demonstrated for the metastable decay of aniline ions
formed by multiphoton ionization.

-----------------

229 Unimolecular dissociation of tetramethylsilane radical cation:


apparent absence of an ion/neutral complex intermediate

John E. Parker, William Beveridge and Chris A.F. Johnson

ABSTRACT:
Quantum chemistry calculations and experimental investigations
of the unimolecular dissociation step of the molecular radical cation
of tetramethylsilane losing a methyl radical to give the m/z 73 trimethyl
silyl cation have been carried out. There is an apparent lack of an
ion/neutral complex in the minimum energy reaction pathway, where in
quaternary carbon compounds there is evidence of such complexes.
It is suggested that at interfragment separation distances at which
an ion/neutral complex would be expected the electrostatic interactions
are swamped by the strength of the conventional covalent bonding
interactions which are an order of magnitude greater than
in the quaternary carbon systems at similar separations.

-----------------

237 The dissociation pattern of 3 keV-C70+* colliding with He.


Inaccuracies in the fragment ion intensities from linked scans

Thomas Drewello, K.-Dieter Asmus and Rainer Herzschuh

ABSTRACT:
The fragmentation pattern of C70+* in its collision with He has been
studied in order to derive an explanation for recent observations on
tremendous differences in relative intensities and extent of
fragmentation upon variation of the centre-of-mass collision energy.

-----------------

243 Electrospray charge-state determination with low resolution mass


analyzers

Antonella D'Agostino, Ray Colton and John C. Traeger

ABSTRACT:
The addition of metal salts to proteins produces metal adduct ions,
as well as multiply protonated species, in electrospray mass spectra.
These adducts can be used for charge state determination of both intact
and fragment ions using low resolution mass analyzers. In this study,
the effectiveness of MeHg+, Ag+, PhHg+, Zn2+, Cd2+, Pb2+, La3+ and Tb3+
as adducts with myoglobin and ubiquitin, and their resistance to loss
during collisional activation experiments, are investigated. Due to the
large m/z separations, high MeHg+, PhHg+ and Pb2+ concentrations produce
mass spectra with overlapping charge state series. The adduction of Ag+,
Cd2+ and Zn2+ results in smaller separations, with no interference from
adjacent charge states. However, higher concentrations of these cations
are required to form reasonably intense adduct ion peaks. For La3+ and
Tb3+ cations, significant adduction is only observed at very high metal
salt concentrations. The small m/z separations for the zinc adducts cause
problems with resolution, resulting in charge state assignment errors.
Unlike their singly charged silver and mercury-containing counterparts,
lead, cadmium and zinc adduct precursors do not readily form metal adduct
fragment ions during collisional activation experiments, making them
less suited to accurate charge state assignment for fragments.

-----------------

253 The effects of stearyl and cetyl alcohol on the electrospray mass
spectrometry of proteins and their implications on the electrospray
mechanism

Fu Ke, J.C. Yves Le Blanc, Roger Guevremont and K.W. Michael Siu
ABSTRACT:
The presence of a low percentage of a long-chained n-alkanol, such as
stearyl or cetyl alcohol, in a micrometer-size water droplet is known
to retard significantly the droplet's evaporation rate due to formation
of a layer of the alcohol on its surface. If solvent evaporation from
electrospray-generated droplets played a crucial role in the electrospray
mechanism, the presence of a long-chained n-alkanol would interfere with
the gas-phase ion formation and cause a drastic decrease in analyte
response. As it turned out, the electrospray responses of proteins tested
with and without the presence of n-alkanols were comparable. In these
experiments, the n-alkanols were added either as solutes in water/methanol
solutions of proteins or in hexane solutions delivered coaxially to
aqueous protein solutions during their electrospray. These results lend
further support to our hypothesis that solvent evaporation is not a
necessary prerequisite to ion formation in electrospray, and that ions
are formed early rather than late during the electrospray process; the
earliest point that this can occur is at the Taylor cone.

-----------------

261 How does ionized N-methyl-O-methyl carbamate, CH3N(H)COOCH3+*, lose


a methyl group? Unimolecular equilibration with two distonic isomers

Peter C. Burgers, Graham A. McGibbon and Johan K. Terlouw

ABSTRACT:
The unimolecular chemistry of the N-methyl-O-methyl carbamate radical
cation CH3N(H)COOCH3+*, has been studied by a variety of mass spectrometry
based techniques [metastable ion (MI), collisional activation (CA) and
neutralisation-reionisation (NR) mass spectrometry and multiple collision
(MS/MS/MS) experiments] in combination with D, 13C and 18O labelling
experiments. The loss of a methyl radical is not a simple bond cleavage
process; rather, at high internal energies, the reaction proceeds via
a 1,4-hydrogen shift to produce the distonic ion CH2=N(H)-C(OH)OCH3+*
which then sheds the O-CH3 methyl group to produce the N-carboxyliminium
ion CH2=N(H)-COOH+, a putatively destabilized iminium ion. The latter step
is exothermic (by c.15 kcal mol-1) and moreover involves a significant
barrier for the forward reaction, characteristic of O-C bond cleavages
in (distonic) radical cations, rationalizing the large kinetic energy
release observed for this dissociation. At low internal energies, the
hydrogen atoms of the methyl groups, but not that of the N-H group,
exchange to the statistical limit. This is rationalized in terms of the
equilibria CH3N(H)COOCH3+* # CH2=N(H)-C(OH)OCH3+* # CH3N(H)COOCH3+*
taking place prior to dissociation. The heats of formation of
CH3N(H)COOCH3+* and CH2=N(H)-COOH+* have been estimated as 133 and
82 kcal mol-1, respectively.

-----------------

269 Mass spectrometry in stereochemical problems: the case of


2-hydroxy-4-t-butyl-cyclopentylcarboxylic acids

Donata Favretto, Pietro Traldi, Gabor Czira and Jozsef Tamas

ABSTRACT:
The mass spectrometric behaviour of four diastereoisomeric
2-hydroxy-4-t-butylcyclopentyl carboxylic acids has been investigated by
means of electron impact ionisation experiments, mass analysed ion
kinetic energy spectroscopy and ion trap mass spectrometry. The comparison
of the data obtained by these different techniques allowed the unambiguous
differentiation of the four compounds.

-----------------

275 Electron impact mass spectrometry of 1-bromo-2-aryloxyethanes and


3-aryloxypropiononitriles

Gustavo P. Romanelli, Juan C. Autino, Arturo A. Vitale and


Alicia B. Pomilio

ABSTRACT:
The electron impact mass spectra of eighteen 3-aryloxypropiononitriles and
seventeen immediate precursors, 1-bromo-2-aryloxyethanes, have been
measured. The compounds are readily distinguished by gas chromatography/mass
spectrometry (GC/MS).

-----------------

283 Analyses by inductively coupled plasma mass spectrometry of Ba


concentrations in water and rock samples. Comparison between isotope
dilution and external calibration with or without internal standard

Remi Freydier, Bernard Dupre and Mireille Polve

ABSTRACT:
Barium concentrations in various standards and natural samples are
determined by inductively coupled plasma mass spectrometry (ICP-MS) using
isotope dilution and using external calibration with or without internal
standard. First, the measured Ba isotopic ratios confirm the existence of
a mass bias, which is shown to follow a linear law and which is the same
in unknown natural samples (rocks, river waters, rain waters and sea
waters) and in standards (river water, rock samples and synthetic solutions)
both in matrix-rich samples as well as in diluted samples. As it is not
matrix dependent and it is stable on a daily time-scale, approximate
correction can be made. Second, Ba concentrations obtained with isotope
dilution and with external calibration with an internal standard show
excellent agreement (within +/-2%) for geostandards as well as for unknown
natural samples. This result implies that indium, as an internal standard
for Ba analysis, is very effective for the correction of matrix effects,
whatever the matrix and signal variations. Concentrations calculated
by isotope dilution and by simple external calibration are, however, in
agreement to within +/-6%, which indicates that matrix effects on Ba are
small.

-----------------

293 A comparison between matrix-assisted laser desorption/ionisation


time-of-flight mass spectrometry and size exclusion chromatography
in the mass characterisation of synthetic polymers with narrow
molecular-mass distributions: Poly(methyl methacrylate) and
poly(styrene)

Paul M. Lloyd, Kevin G. Suddaby, Julie E. Varney, Elaine Scrivener,


Peter J. Derrick and David M. Haddleton

ABSTRACT:
A series of poly(methyl methacrylate)s and poly(styrene)s (masses
1000-12,000 Da) with narrow molecular-mass distributions have been
analysed by matrix-assisted laser desorption/ionisation time-of-flight
(MALDI-TOF) mass spectrometry and size exclusion chromatography (SEC).
The resultant number average Mn, mass (weight) average Mw, and z average
Mz molecular masses as determined from the two techniques are presented
and compared. These data show MALDI-TOF mass spectrometry and size
exclusion chromatography (SEC) to be in good agreement, typically to
within 10% for the analyses of these types of polymers.

-----------------

301 Structural analysis of a chelating derivative of .alpha.-melanocyte


stimulating hormone by electrospray ionisation mass spectrometry

B. Devreese, D. Bard, F. Jacquemotte and J. van Beeumen

ABSTRACT:
The technique of electrospray ionisation mass spectrometry has been used
to study the hydrogen/deuterium exchange of bisMSH-DTPA, a derivative of
.alpha.-melanocyte stimulating hormone (MSH) in which two complete MSH
peptide chains are covalently bound to a single molecule of
diethylenetriamine pentaacetic acid (DTPA). The results show different
levels of exchange between the metal-chelated and the unchelated peptide.
We suggest that the unchelated peptide is able to form a hydrogen-bonded
structure between the carboxyl groups of DTPA and the amino nitrogen of
the N'-terminal serine of MSH.

-----------------

305 Laser desorption/ionisation mass spectrometry in the study of natural


and synthetic melanins. III. Human hair melanins

Antonella Bertazzo, Carlo Costa, Graziella Allegri,


Roberta Seraglia and Pietro Traldi

ABSTRACT:
Four samples of natural melanin extracted from red, fair, black and brown
human head hair were studied by both laser desorption/ionisation (LDI)
and matrix-assisted laser desorption/ionisation (MALDI) methods. Clear
differences were found among the LDI and MALDI mass spectra of the four
melanins. In red hair melanin, there was a major peak at m/z 842
attributed to an oligomeric cluster, together with lower-intensity peaks
in the range 4000-5000 Da. In fair hair melanin, only species with
molecular masses from 300 to 600 Da were evidenced. In black hair melanin,
clusters up to 25,000 Da were detectable, and in brown hair melanin,
there were two main oligomeric clusters in the ranges 600-900 Da and
3000-5000 Da, respectively, and a large oligomer distribution from
11,000 to 16,000 Da. It is concluded that there is an increase in relative
molecular masses of melanins on passing from fair to black hair,
suggesting that in dark hair the colour is related to melanins with a
higher degree of polymerisation.

-----------------

313 Matrix-assisted laser desorption ionization (MALDI) and post-source


decay (PSD) product ion mass analysis localize a photolabel
crosslinked to the delta-subunit of nAChR protein by neurotoxin II

R. Kaufmann, D. Kirsch, J.L. Tourmann, J. Machold, F. Hucho,


Yu. Utkin and V. Tsetlin

ABSTRACT:
In an attempt to probe the molecular topology of the ion gate in the
nicotinic AChR protein, the high affinity Kd >> 10-11 molar) ligand
neurotoxin II (NT II), a 61 residue peptide from the venom of Naja
naja oxiana, was photocrosslinked to the nAChR of Torpedo californica.
The photoactivatable group was a 125I-p-azidosalicylamidoethyl-1,3-
dithiopropyl (ASED) moiety located at the K25 residue of NT II. Specific
labeling occurred at the delta-subunit which, after SDS-PAGE, was
subjected to tryptic digestion and reverse phase high performance
liquid chromatography (rpHPLC) separation. Although the radioactivity
profile of the collected HPLC fractions exhibited two sharp maxima
suggesting rather specific crosslinking site(s), attempts to localize these
sites by Edman degradation failed. Thus, matrix-assisted laser desorption
ionization (MALDI) mass spectrometry was employed in the hope of
circumventing the difficulties encountered with the conventional protocols.
This technique, in conjunction with the option to perform mass
spectrometric peptide sequencing by so-called post-source decay (PSD)
product ion analysis, (even with subpicomoles of analyte loads in
heterogeneous samples) allowed us not only to determine the labeled tryptic
peptide but also to localize the site of the crosslink down to the A268
position of the delta-subunit. It is felt that these results demonstrate
the capability of the MALDI technique to overcome some of the constraints
inherent in the analytical tool of photolabeling, especially in cases where
large molecular probes (such as NT II) are employed.

-----------------

326 Comment: The kilojoule versus the kilocalorie

Allan Maccoll
-----------------

327 Letter: The generation and characterization of neutral silaethene


by neutralization-reionization mass spectrometry

M.Dakubu, D.V. Zagorevskii and J.L. Holmes

ABSTRACT:
The molecule D2SiCH2 has been generated and identified for the first
time in the gas phase by the neutralization of an 8 keV beam of
[D2SiCH2]+* ions.

-----------------

#######################################################
From: brecher@terminator.rs.itd.umich.edu (Jonathan Brecher)
Subject: Re: Free Mass Spec Software
Date: 12 Aug 1995 16:10:30 GMT
Organization: CambridgeSoft Corporation

Bill Park <park@netcom.com> wrote:


>deline@netcom.com (James Deline) writes:
>
>} My freeware program "Molecular Fragment Calculator", or "MF Calc", can
>} now be accessed at the Cambridge Scientific web site at:
>} http://www.camsci.com/others/shareware/mfcalc.html
>
>Hmmmmm ....
>netcom7/u9/park% lynx http://www.camsci.com/others/shareware/mfcalc.html/
403
Forbidden

The original URL does not have a final slash.


The original URL works just fine.

Jonathan Brecher
CambridgeSoft Corporation

#######################################################
From: rbaker@ds16.modicon.com (Richard Baker)
Subject: Re: Any ideas ?
Date: 14 Aug 1995 00:04:39 GMT
Organization: Modicon Division of AEG Schneider Automation

In article <3v84ss$f2c@acmex.gatech.edu>, tedd@netcom.com says...


>
>Using and Icos 50B GC/MS doing stat human toxicology had a nice peak
>(oven program 115 to 297, ramp 11/min.) RT 10 minutes dominantly mass
>282; library best match is a Fentanyl analog (don't think so).
>Metabolite or parent or breakdown product 1.5 minutes later (also a nice
>peak) 282 (100%) 251 (55%) 223 (24%). Doctor suspects tricyclic
>antidepressant among several other compounds (Might be a newer
tetracyclic).
>Got any ideas?

This doesnt appear to be Fentanyl. Fentanyl would have a Ret Index


of 2720 and major ions at 245, 146, and 189.

A better match would be the Ca-Antagonist Nifedipine-metabolite. It


has a Ret Index of 2910 and major ions at 282, 251, 223, 126, and 298.
The parent drug Nifedipine has a Ret Index of 2550 and major ions at
329, 284, 224, 268, and 346.

This leads to the question of the type of sample. Was this a urine
sample?

I recommend that you refer to "Pfleger's Mass Spectral and GC Data"


for more information.

Leisa Mingo
West Newbury, MA

#######################################################
From: rbaker@ds16.modicon.com (Richard Baker)
Subject: Med Tech - Toxicology - MA
Date: 14 Aug 1995 00:15:31 GMT
Organization: Modicon Division of AEG Schneider Automation

New England Pathology Services, a rapidly expanding regional reference


laboratory, offers a position with career opportunities for the right
professional.
MEDICAL TECHNOLOGIST

TOXICOLOGY

Full-time, 2nd shift weekend position. Responsibilities include routine


and emergency toxicology testing in a dynamic, state-of-the-art
laboratory. MT (ASCP) prefered with experience with GC, GC/MS,
and HPLC.

NEPS offers a comprehensive benefits package that includes medical/


dental coverage, tuition reimbursement, 401(k) plan and more. To
apply, please send your resume to:

New England Pathology Services


250 Andover Street
Wilmington, MA 01887
Attn: Kim Besse

#######################################################
From: hall_lab@tikal.biosci.arizona.edu (Robert Baker)
Subject: Help: ICP-MS
Date: Fri, 18 Aug 1995 11:58:55 +1000
Organization: The University of Arizona

I'm looking for some information on ICP-Mass Spec. Specifically, what is


the detection limit of magnesium in water? How expensive are these things
to run? What is a typical sample volume?

Any info or pointers to sources is greatly appticiated. E-mail responce


prefered as I can't always check this group. Thanks!!!

Robert Baker
Dept. of Molecular and Cellular Biology
University of Arizona

(520) 621-7522

e-mail: hall_lab@tikal.biosci.arizona.edu
or: rbaker@gas.uug.arizona.edu

#######################################################
Date: Fri, 18 Aug 1995 13:24:00 -0500 (CDT)
From: "Steven P. Cepa 708-937-7539" <CEPA.STEVEN@igate.pprd.abbott.com>
Subject: Deconvolution software

Many of the mass spec vendors offer software to deconvolute multiply charged
mass spectra.

Is there a common source of these algorithms? One vendor wants to charge


$1800 to add the algorithm to existing software. This seems ridiculous to me.
I've seen Fisons' ads for Max Ent versions, so theirs might be different, but
what about the others?
*****************************************************************************
Steve Cepa ++Just a thought++
Abbott Labs *** These are my opinions only. So blame me. ***

cepa.steven@igate.abbott.com

The most significant exclamation in scientific discovery is not "Eureka", but


"That's funny..." (Isaac Asimov)
*****************************************************************************

#######################################################
From: Nahum Gat <oksi@cerfnet.com>
From: ciads@sivax.unisi.it
Subject: The Italian Home Page on Mass Spectrometry
Date: 21 Aug 1995 08:01:15 GMT
Organization: Universita' di SIENA

The Italian Home Page on Mass Spectrometry

is a WWW site devoted to mass spectrometry in Italy, but open over the world.

It is running from August 8 on the site:

URL: http://www.cineca.it/mass_spectrom/

You can find information regarding mass spectrometry in the world


and in Italy. In particular, detailed information on the

MASSA 96-2nd MS-PHARMADAY meeting (Siena, Italy, July 1-5, 1996)

with nice pictures of the town are given at URL:

http://www.cineca.it/mass_spectrom/massa96/

Suggestions and comments are highly appreciated.

Be WELCOME on this sites !

Sincerely yours
Gianluca

-------------------------------------------------------
Dr. Gianluca Giorgi
Centro Interdipartimentale di Analisi e Determinazioni
Struttturali della Universita' di Siena
via P.A. Mattioli, 10
53100 Siena (Italy)
tel. 0039-577-298925 fax. 0039-577-298927
E-mail: CIADS@UNISI.IT

#######################################################
From: ciads@sivax.unisi.it
Subject: MASSA 96-2nd MS-PHARMADAY Meeting
Date: 21 Aug 1995 08:02:37 GMT
Organization: Universita' di SIENA

MASSA 96-2nd MS-PHARMADAY meeting (Siena, Italy, July 1-5, 1996)

is the annual meeting of the Division of Mass Spectrometry of the


Italian Chemical Society. It will take place in Siena on 1-5 July, 1996.

The meeting will cover all the aspects of mass spectrometry.


A special section will be devoted to the applications of mass spectrometry
in biotechnology, biomedical and pharmaceutical fields.

Information with nice pictures of the town are given at URL:

http://www.cineca.it/mass_spectrom/massa96/

Be WELCOME on this site !

Sincerely yours
Gianluca

-------------------------------------------------------
Dr. Gianluca Giorgi
Centro Interdipartimentale di Analisi e Determinazioni
Struttturali della Universita' di Siena
via P.A. Mattioli, 10
53100 Siena (Italy)
tel. 0039-577-298925 fax. 0039-577-298927
E-mail: CIADS@UNISI.IT

#######################################################
From: pmarston@vacgen.fisons.co.uk (pmarston)
Subject: Download Free LEED Demo Software
Date: 21 Aug 1995 15:27:04 GMT
Organization: Fisons Instruments Surface Systems

Download the New SMARTLEED Software Package.

A Windows. based software and hardware package for quantitative LEED


experiments.

Features.

+ Windows. compatible.
+ 256 levels / 8-bit resolution.
+ Contrast/ brightness adjustment by input look up table.
+ Image alignment using Pendry R-Factor analysis.
+ Automatic spot tracking.
+ Diffuse tracking (tracking from stored template).
+ Target current normalisation.
+ Compatible with VG and most other LEED optics.

To download a copy of this software, use a web browser to go to :-

http://www.surface.fisons.co.uk/vacgen/
The software can be found on the 'Download Demo Software' page.

Phil Marston
Vacuum Generators

#######################################################
From: Howard Berg <berg@magic.geol.ucsb.edu>
Subject: electron multiplier detectors
Date: 22 Aug 1995 00:56:49 GMT
Organization: University of California, Santa Barbara

Does anyone have experience using discreet dynode, active film electron
multipliers for ICPMS work as opposed to the continuous channel type?
We have a VQ Plasmaquad, fitted with a Galileo dual-mode (ion/analog)
detector. We are interested in trying a discreet dynode, dual-mode
replacement by ETP. The promises of the ETP unit are flatter
ion-counting/bias plateau for improved stability, greater counting rate
limit for increased dynamic range, lower background noise, and improved
shelf life. The ETP units can also be rebuilt at a fraction of the cost
of a new one. My information is that VG now uses the ETP discreet
dynode units in production intruments.

Howard Berg
UCSB
berg@magic.geol.ucsb.edu

#######################################################
From: spectrscpy@aol.com (Spectrscpy)
Subject: MS Survey
Date: 22 Aug 1995 19:27:53 -0400
Organization: America Online, Inc. (1-800-827-6364)

The October issue of SPECTROSCOPY magazine -- our 10th anniversary issue


-- will feature an article reviewing the key developments is spectrometric
analysis during the past decade. Here's an opportunity for
sci.techniques.mass-spec users to "vote" for the 10 events, discoveries,
product introductions, publications, etc. that have had the biggest impact
on the field since 1985. The results will appear in our October issue.

Everyone is welcome to participate, but we need to hear from you


immediately. Please e-mail your "top 10 list" to the following address by
Monday, August 28, 1995: spectrscpy@aol.com

No names will be published, but be sure to include your name and contact
information in case we have questions.

We welcome your participation and hope you'll enjoy this special issue.
Michael MacRae
Editor

Michael MacRae, Spectroscopy magazine (spectrscpy@aol.com)


#######################################################
From: dfettero@ahoynet.com (Dean D. Fetterolf)
Subject: FBI Chemist Position Available
Date: Wed, 23 Aug 1995 18:44:59 GMT
Organization: Capital Area Internet Service info@cais.com 703-448-4470

FBI Chemist Position (GS7 - GS12)

Duties and Responsibilities: The Forensic Science Research Unit


(FSRU)of the FBI Laboratory has openings for support chemist(s).
The chosen candidate(s) will perform as a support chemist
responsible for conducting specialized and/or fundamental
research assignments which are geared toward improving laboratory
safety, evidentiary examination techniques, and expanding
methodology to support the FBI Laboratory and field operations.
The work involves chemical, bio-analytical, elemental and instrumental
analysis of explosives, explosives residue, drugs, toxicological
samples paints, inks, arson debris, polymers, adhesives and fibers
encountered as irreplaceable evidence in criminal cases. Analyses may
include infrared spectrometry; mass spectrometry; gas, liquid, or ion
chromatography; or CE. This is a non supervisory position.

Minimum Qualifications: Bachelor's degree in Chemistry, US


Citizenship, An extensive background investigation including
polygraph and drug test will be required prior to employment.

For immediate consideration please fax resume to:

FSRU (703) 640-1394


"If a cluttered desk is a sign of a cluttered mind
What is the sign of an empty desk?"

#######################################################
Subject: Help: free iso cluster calculation program for PC?
Date: 23 Aug 1995 20:29:43 GMT
Organization: Your Organization
From: News Owner <news@waage.rz.uni-ulm.de>

Does anybody here know if there is some free- or shareware available on the net
for calculating isotopic cluster abundances, e.g. for halogenated compounds?

If yes, please drop me a line!

Karlheinz Hauff

#######################################################
From: Nahum Gat <oksi@cerfnet.com>
Subject: LC/GC Magazine TOC now at TechExpo WWW
Date: 24 Aug 1995 06:40:23 GMT
Organization: Opto-Knowledge Systems, Inc.

Dear Colleague,
NEW:

LC/GC Magazine Table of Contents is now posted at TechExpo at URL:


http://www.techexpo.com/

The TOC will be updated monthly, prioiur to the issue of the printed
version.

Other magazines TOC at TechExpo include:


Scientific American
Spectroscopy.

More magazines to come.

In addition you'll find at TechExpo:


-The most comprehensive calender of science and technology conferences
anywhere on the Internet
-Directory of technical societies (also the most comprehensive anywhere)
-Directory of technical trade magazines
-Directory of hi-tech companies and their products or services
-Links to government and academia site posting technical info.

Cheers
:-)
Nahum Gat, Ph.D.
nahum@techexpo
or
oksi@cerfnet.com

#######################################################
Date: Thu, 24 Aug 1995 06:38:51 -0400 (EDT)
From: "Dana DeJohn (313)996-7135" <dejohn@aa.wl.com>
Subject: Mich. Mass Spec. Disc. Grp. Meeting 9/13

August 24, 1995

Dear Fellow Mass Spectrometrist:

The next meeting of the Michigan Mass Spectrometry Discussion Group will be
held on ***WEDNESDAY SEPTEMBER 13, 1995*** at the University of Michigan, Ann
Arbor Campus. ***THE MEETING WILL BEGIN AT 5:30PM IN FURSTENBURG 2747, WHICH
IS PART OF THE MEDICAL SCIENCE II COMPLEX.*** Dinner will follow at a local
restaurant. The scheduled speakers are:

Professor Kevin Schey: "MALDI and Electrospray Mass Spectrometry of


Hydrophobic Proteins and Peptides"

Dr. Rachel Ogorzalek Loo: "Interfacing Gel Electrophoresis to Mass


Spectrometry"

Dr. Schey is a 1992 American Society for Mass Spectrometry Research Awardee
and is being sponsored by the ASMS speaker program. Kevin is currently in the
Pharmacology Department at the Medical University of South Carolina. Dr.
Ogorzalek Loo is currently a research associate at the University of Michigan
Protein & Carbohydrate Structure Facility directed by Dr. Phil Andrews.

PerSeptive Biosystems will be our corporate sponsor for this meeting. They
have graciously agreed to cover the cost of parking for meeting attendees.
Please be sure to thank Dave Painter for their generosity. Because parking
passes have to be obtained, you must ***CONTACT RACHEL OGORZALEK LOO, 2560
MSRB II, 1150 W. MEDICAL CENTER DR., ANN ARBOR, MI 48109-0674 (E-MAIL:
LOO@BRCF.MED.UMICH.EDU; PHONE: 313-936-1137 OFFICE, 313-936-2638 FAX) BY SEPT.
8 TO ARRANGE TO HAVE A PARKING PASS MAILED.*** Parking will be in the parking
ramps at Glen and Catherine Streets. Park in one of the 2 parking ramps and
walk up Catherine Street to the meeting site.

For those of you being notified through e-mail and aren't sure where the
building and parking ramps are, I have maps available that I can FAX (or
mail) to you on request. E-mail (or call) me with your preference and I'll
get them to you right after the Labor Day holiday.

Pass the word about the meeting to any of your colleagues. Hope to see you at
the University of Michigan.

Best Regards,

Dana DeJohn
Parke-Davis Pharmaceutical Research
2800 Plymouth Rd.
Ann Arbor, MI 48105
TEL: 313-996-7135
FAX: 313-998-2716
INTERNET: dejohn@aa.wl.com

#######################################################
Date: Thu, 24 Aug 1995 06:38:51 -0400 (EDT)
From: "Dana DeJohn (313)996-7135" <dejohn@aa.wl.com>
Subject: Mich. Mass Spec. Disc. Grp. Meeting 9/13

August 24, 1995

Dear Fellow Mass Spectrometrist:

The next meeting of the Michigan Mass Spectrometry Discussion Group will be
held on ***WEDNESDAY SEPTEMBER 13, 1995*** at the University of Michigan, Ann
Arbor Campus. ***THE MEETING WILL BEGIN AT 5:30PM IN FURSTENBURG 2747, WHICH
IS PART OF THE MEDICAL SCIENCE II COMPLEX.*** Dinner will follow at a local
restaurant. The scheduled speakers are:

Professor Kevin Schey: "MALDI and Electrospray Mass Spectrometry of


Hydrophobic Proteins and Peptides"

Dr. Rachel Ogorzalek Loo: "Interfacing Gel Electrophoresis to Mass


Spectrometry"

Dr. Schey is a 1992 American Society for Mass Spectrometry Research Awardee
and is being sponsored by the ASMS speaker program. Kevin is currently in the
Pharmacology Department at the Medical University of South Carolina. Dr.
Ogorzalek Loo is currently a research associate at the University of Michigan
Protein & Carbohydrate Structure Facility directed by Dr. Phil Andrews.

PerSeptive Biosystems will be our corporate sponsor for this meeting. They
have graciously agreed to cover the cost of parking for meeting attendees.
Please be sure to thank Dave Painter for their generosity. Because parking
passes have to be obtained, you must ***CONTACT RACHEL OGORZALEK LOO, 2560
MSRB II, 1150 W. MEDICAL CENTER DR., ANN ARBOR, MI 48109-0674 (E-MAIL:
LOO@BRCF.MED.UMICH.EDU; PHONE: 313-936-1137 OFFICE, 313-936-2638 FAX) BY SEPT.
8 TO ARRANGE TO HAVE A PARKING PASS MAILED.*** Parking will be in the parking
ramps at Glen and Catherine Streets. Park in one of the 2 parking ramps and
walk up Catherine Street to the meeting site.

For those of you being notified through e-mail and aren't sure where the
building and parking ramps are, I have maps available that I can FAX (or
mail) to you on request. E-mail (or call) me with your preference and I'll
get them to you right after the Labor Day holiday.

Pass the word about the meeting to any of your colleagues. Hope to see you at
the University of Michigan.

Best Regards,

Dana DeJohn
Parke-Davis Pharmaceutical Research
2800 Plymouth Rd.
Ann Arbor, MI 48105
TEL: 313-996-7135
FAX: 313-998-2716
INTERNET: dejohn@aa.wl.com

#######################################################
Date: Thu, 24 Aug 1995 06:38:51 -0400 (EDT)
From: "Dana DeJohn (313)996-7135" <dejohn@aa.wl.com>
Subject: Mich. Mass Spec. Disc. Grp. Meeting 9/13

August 24, 1995

Dear Fellow Mass Spectrometrist:

The next meeting of the Michigan Mass Spectrometry Discussion Group will be
held on ***WEDNESDAY SEPTEMBER 13, 1995*** at the University of Michigan, Ann
Arbor Campus. ***THE MEETING WILL BEGIN AT 5:30PM IN FURSTENBURG 2747, WHICH
IS PART OF THE MEDICAL SCIENCE II COMPLEX.*** Dinner will follow at a local
restaurant. The scheduled speakers are:

Professor Kevin Schey: "MALDI and Electrospray Mass Spectrometry of


Hydrophobic Proteins and Peptides"

Dr. Rachel Ogorzalek Loo: "Interfacing Gel Electrophoresis to Mass


Spectrometry"

Dr. Schey is a 1992 American Society for Mass Spectrometry Research Awardee
and is being sponsored by the ASMS speaker program. Kevin is currently in the
Pharmacology Department at the Medical University of South Carolina. Dr.
Ogorzalek Loo is currently a research associate at the University of Michigan
Protein & Carbohydrate Structure Facility directed by Dr. Phil Andrews.

PerSeptive Biosystems will be our corporate sponsor for this meeting. They
have graciously agreed to cover the cost of parking for meeting attendees.
Please be sure to thank Dave Painter for their generosity. Because parking
passes have to be obtained, you must ***CONTACT RACHEL OGORZALEK LOO, 2560
MSRB II, 1150 W. MEDICAL CENTER DR., ANN ARBOR, MI 48109-0674 (E-MAIL:
LOO@BRCF.MED.UMICH.EDU; PHONE: 313-936-1137 OFFICE, 313-936-2638 FAX) BY SEPT.
8 TO ARRANGE TO HAVE A PARKING PASS MAILED.*** Parking will be in the parking
ramps at Glen and Catherine Streets. Park in one of the 2 parking ramps and
walk up Catherine Street to the meeting site.

For those of you being notified through e-mail and aren't sure where the
building and parking ramps are, I have maps available that I can FAX (or
mail) to you on request. E-mail (or call) me with your preference and I'll
get them to you right after the Labor Day holiday.

Pass the word about the meeting to any of your colleagues. Hope to see you at
the University of Michigan.

Best Regards,

Dana DeJohn
Parke-Davis Pharmaceutical Research
2800 Plymouth Rd.
Ann Arbor, MI 48105
TEL: 313-996-7135
FAX: 313-998-2716
INTERNET: dejohn@aa.wl.com

#######################################################
From: Frank Antolasic <rcmfa@bunyip.ph.rmit.edu.au>
Subject: Kratos DS90 software
Date: 25 Aug 1995 05:37:36 GMT
Organization: RMIT Applied Chemistry Dept

Hi
We have a Kratos MS25RF mass spectrometer that is still run by a Data
General Model 30 computer running DS90 software. We are looking at
upgrading this computer to one running MS Windows on a PC. Has anyone out
there upgraded their Kratos system? I would like to hear some comment on
the types of computer upgrades available and what users think of them. I
am especially interested in systems that will control the mass spec as
well as process the data.

#######################################################
From: Preston Korn <iink@primenet.com>
Subject: Need help with a spectroscopy exhibit
Date: 25 Aug 1995 15:19:22 GMT
Organization: Interactive Ink

I am currently involved with an astronomy park being built in Safford,


Arizona and I am looking for a graphical representation of Krypton's (Kr)
spectrum. Can anyone give me assistance in this area?

Preston Korn
Interactive Ink
429 S. San Francisco
Flagstaff, AZ 86001
520-774-0819
iink@primenet.com

#######################################################
From: sismspec@aol.com (Sismspec)
Subject: Local Mass Spec Group Meetings
Date: 25 Aug 1995 12:34:13 -0400
Organization: America Online, Inc. (1-800-827-6364)

Scientific Instrument Services is in the process of setting up their home


page on the WEB. We should be on line within the next 2 to 3 weeks. Our
domain name will be: http://www.sisweb.com

Local Mass Spec Group Meetings. - Included in our home page will be a
section for the listing of the local mass spec groups. This listing will
include officers, contact phone numbers, location of meetings, speakers
and schedules. If you would like to have your organization listed free of
charge, please let us know. In addition if your local MS group has a home
page on the internet, we will be glad to hyperlink to it.

Independent Mass Spervicemen. - In addition we will be listing independent


mass spec service organizations as a service to our customer base. If you
would like to be listed as an independent servicemen (free of charge),
please let us know.

If anyone has any suggestions for other mass spec resources, references or
valuable information of interest to the mass spec community that should be
included in our internet home pages, please give me a call or drop me an
e-mail. Your input would be greatly appreciated.

John J. Manura
Scientific Instrument Services
Supplies and Services for Mass Spectrometers, Gas Chromatographs and
related scientific instruments
Phone: (908) 788-5550
FAX: (908) 806-6631
E-Mail: sismspec@aol.com

#######################################################
From: dhachey@bcm.tmc.edu
Subject: Re: Help: free iso cluster calculation program for PC?
Date: 25 Aug 1995 17:38:49 GMT
Organization: Baylor College of Medicine

> News Owner <news@waage.rz.uni-ulm.de> writes:


> Does anybody here know if there is some free- or shareware available on the
> net for calculating isotopic cluster abundances, e.g. for halogenated
> compounds?
> Karlheinz Hauff
>>>>
Karl;

I obtained a very nice one from Michael Senko at the National High Magnetic
Field Laboratory at
Florida State University. You can contact him at: senko@magnet.fsu.edu
His program calculates isotope patterns for any arbitrary combination of
elements, at any resolution,
and draws spectra in either Gaussian or Lorentzian line shapes. It's a nice piece
of work.

Regards, Dave Hachey

#######################################################
From: JOERG.HAU@01.chlsnr.nestrd.ch
Date: Mon, 28 Aug 1995 15:13:01 +0200
Subject: Data system for sector MS

A question:

We`re using a Finnigan MAT 8430 with HP 5890GC and 7673A Autosampler. The MS
is still in excellent condition, but its SSX data system is nearly "dead".

We would like to replace the DS by another that supports this GC/autosampler


*and* the Hi-Res capabilities of the MS. The only system we know of is the
MSS data system.

Does anybody have knowledge of other replacement DS that are capable of


data acquisition/control for Hi-Res sector MS?

Joerg Hau

----------------------------------------------------------------------
Dr. Joerg Hau
Nestl'#e Research Center
Vers-chez-les-Blanc
Case postale 44
CH-1000 Lausanne 26

Phone +41 21 785.80.69


Telefax +41 21 785.85.66

Internet: Joerg.Hau@chlsnr.nestrd.ch
X.400: S=HAU; G=JOERG; OU=CHLSNR; P=NESTRD; A=ARCOM; C=CH
----------------------------------------------------------------------

#######################################################
From: cato.brede@kjemi.uio.no (Cato Brede)
Subject: HP 59970 Chemstation
Date: 28 Aug 1995 15:46:54 GMT
Organization: Universitet i Oslo

We have a Hewlett Packard 59970 Chemstation to control our MS. This is


an older system (10 years), but will surely serve us for some more years.

The floppy disk drive on the 9133 unit is now broken. We are still able
to use the system, but cannot save data to floppy. So we wonder if
there are people out there who has such a unit. Perhaps with a
broken hard disk and a functionable floppy. Do you want to donate such a
unit to us, please send me an e-mail.
Suggestions on how to fix the floppy will also be appreaciated. It is a
3 1/2", 720KB floppy drive. I think we would need a special kind of
drive, perhaps only delivered from HP.

Cato Brede
e-mail: catob@kjemi.uio.no

#######################################################
From: i.borthwick@strath.ac.uk (Ian Borthwick)
Subject: Mesh or Grids
Date: 29 Aug 1995 08:50:38 GMT
Organization: Strathclyde University

I am looking for a low cost source, preferably in the UK, of fine


meshes or grids, >100 wires per inch, >75% open area, for
defining electrostatic fields, any metal should be okay.

Thanks in advance

ian

#######################################################
From: Gert von Helden <gertvh@sci.kun.nl>
Subject: Simion 5.0 source code
Date: 29 Aug 1995 12:27:27 GMT
Organization: university of Nijmegen

Hi,
I wonder if someone out there could make the Simion 5.0 source code
available to me. We do have the 5.0 binaries as well as the 4.02 source
code. In a recent anouncment from David Dahl (one of the authors) on
Simion 6.0, it said that they do no longer distribute simion 4 or 5 and
that one should try to get it from a collegue. I would appreciate any
help,

Thanks Gert
--

Gert von Helden


Dept. of molecular and Laser Physics, University of Nijmegen, Netherlands
e-mail: gertvh@sci.kun.nl, phone: (+31) 80 652179, fax: (+31) 80 653311

#######################################################
From: "K. Murray" <kmurray@emory.edu>
Subject: Re: Mesh or Grids
Date: 29 Aug 1995 13:47:06 GMT
Organization: Emory University

i.borthwick@strath.ac.uk (Ian Borthwick) wrote:


>I am looking for a low cost source, preferably in the UK, of fine
>meshes or grids, >100 wires per inch, >75% open area, for
>defining electrostatic fields, any metal should be okay.
>
Buckbee Mears has nickel, gold, and copper electroformed mesh grids.
Various sizes between 5 and 2000 wire per inch and transmission up to
about 90%.

Buckbee Mears
St. Paul, MN
612-228-6400
Fax 612-228-6572

-----

Kermit K. Murray
mailto:kmurray@emory.edu
http://tswww.cc.emory.edu/~kmurray/

#######################################################
Date: Tue, 29 Aug 1995 22:38:16 +0000 (GMT)
From: stuart.thomson@vcp.monash.edu.au (Stuart Thomson)
Subject: Re: Data system for sector MS
Organization: Victorian College of Pharmacy

In article <41sg5d$6rd@acmex.gatech.edu>, JOERG.HAU@01.chlsnr.nestrd.ch wrote:


>A question:
>
>We`re using a Finnigan MAT 8430 with HP 5890GC and 7673A Autosampler. The MS
>is still in excellent condition, but its SSX data system is nearly "dead".
>
>We would like to replace the DS by another that supports this GC/autosampler
>*and* the Hi-Res capabilities of the MS. The only system we know of is the
>MSS data system.
>
>Does anybody have knowledge of other replacement DS that are capable of
>data acquisition/control for Hi-Res sector MS?
>
>Joerg Hau

G'Day Joerg,

I have attached an MSS data system to a Jeol DX-300 with the high-res option.
It works fine, but I don't know how you will go with the GC/Autosampler, but I
seem to remember that the data system has some extra outputs, which could be
used for control of external devices. I have found the data system to be
reliable and quite good for high res ms work.

If you have any questions on the system, please drop me an e-mail.

Cheers,
Stuart Thomson.

#######################################################
From: kore@cityscape.co.uk (Steve Mullock)
Subject: Re: Mesh or Grids
Date: Wed, 30 Aug 1995 08:30:25 GMT
Organization: Kore Technology Ltd.
i.borthwick@strath.ac.uk (Ian Borthwick) wrote:

>I am looking for a low cost source, preferably in the UK, of fine
>meshes or grids, >100 wires per inch, >75% open area, for
>defining electrostatic fields, any metal should be okay.

>Thanks in advance

>ian

We find woven mesh useful as its easier to stretch across apertures.


Try Buckbee Mears or Swallow Metals and Components Ltd. Tel. 01734
303555 Fax. 303922

regards Steve

--
Dr S.J. Mullock
Kore Technology Ltd.
291, Cambridge Science Park
Milton Road
Cambridge CB4 4WF
UK
Tel: 44 (0) 1223 420840
Fax: 44 (0) 1223 426041

#######################################################
From: kore@cityscape.co.uk (Steve Mullock)
Subject: Re: HP 59970 Chemstation
Date: Wed, 30 Aug 1995 08:30:22 GMT
Organization: Kore Technology Ltd.

cato.brede@kjemi.uio.no (Cato Brede) wrote:

<snip>

>The floppy disk drive on the 9133 unit is now broken.

<snip>

>Suggestions on how to fix the floppy will also be appreaciated. It is a


>3 1/2", 720KB floppy drive. I think we would need a special kind of
>drive, perhaps only delivered from HP.

We used to use HP computers in a previous life, including the 9133


disk drive. If memory serves me correctly there is nothing special
about the floppy drive. I think it runs on the standard (D403 rings a
bell) floppy interface. If the drive is the problem, rather than the
interface card, you might get away with simply replacing it with a
regular off the shelf PC drive. At any rate it would be worth taking
the cover off to have a look.

Best of luck
--
Dr S.J. Mullock
Kore Technology Ltd.
291, Cambridge Science Park
Milton Road
Cambridge CB4 4WF
UK
Tel: 44 (0) 1223 420840
Fax: 44 (0) 1223 426041

#######################################################
From: Steve Werness <werness@aa.wl.com>
Subject: What is the current news (rumor) about VG Organic?
Date: 30 Aug 1995 14:24:11 GMT
Organization: Warner-Lambert Parke-Davis Research

We are considering a purchase, but are concerned about VGs existance.


Anyone have late-breaking information?

#######################################################
From: "K. Murray" <kmurray@emory.edu>
Subject: Re: What is the current news (rumor) about VG Organic?
Date: 30 Aug 1995 16:12:14 GMT
Organization: Emory University

FWIW they have a WWW page


http://www.vgorganic.co.uk/HOMEPAGE.HTM
and e-mail
mailto:Andrew.Eaton@instruments.fisons.co.uk

-----

Kermit K. Murray
mailto:kmurray@emory.edu
http://tswww.cc.emory.edu/~kmurray/

#######################################################
From: dfettero@ahoynet.com (Dean D. Fetterolf)
Subject: FBI Lab Position(s)
Date: Wed, 30 Aug 1995 17:42:27 GMT
Organization: Capital Area Internet Service info@cais.com 703-448-4470

FBI Chemist Position (GS7 - GS12)

Duties and Responsibilities: The Forensic Science Research Unit


(FSRU)of the FBI Laboratory has openings for support chemist(s).
The chosen candidate(s) will perform as a support chemist responsible
for conducting specialized and/or fundamental research assignments
which are geared toward improving laboratory safety,
evidentiary examination techniques, and expanding
methodology to support the FBI Laboratory and field operations.
The work involves chemical, elemental and instrumental analysis of
explosives, explosives residue, drugs, paints, inks, arson debris,
polymers, adhesives and fibers encountered as irreplacable
evidence in criminal cases. Analyses may include infrared
spectrometry,
mass spectrometry, gas,liquid, or ion chromatography. This is a non
supervisory position.

Minimum Qualifications: Bachelor's degree in Chemistry, US


Citizenship,
An extensive background investigation including polygraph and
urinalyis
will be required prior to employment.

For immediate consideration please fax resume to:

FSRU (703) 640-1394


"If a cluttered desk is a sign of a cluttered mind
What is the sign of an empty desk?"

#######################################################
From: douglas@chem.ubc.ca (Don Douglas)
Subject: Re: Mesh or Grids
Date: 30 Aug 1995 19:48:13 GMT
Organization: University of British Columbia

Also Unique Wire Weaving Co. Inc


762 Ramsey Ave.
Hillside NJ
07295
USA
phone 908-688-4600
fax 908-688-4601

Don

#######################################################
Date: Thu, 31 Aug 1995 00:04:38 +0000 (GMT)
From: ddxdd@IMAP1.ASU.EDU
Subject: Re: Mesh or Grids
Organization: daves not here

Ian Borthwick (i.borthwick@strath.ac.uk) wrote:


: I am looking for a low cost source, preferably in the UK, of fine
: meshes or grids, >100 wires per inch, >75% open area, for
: defining electrostatic fields, any metal should be okay.

: Thanks in advance

: ian

i don't know of any UK sources, but you can try the


following company in the US:

buckbee-mears st. paul


245 e. 6th. st.
st. paul. MN 55101
612-228-6400
612-228-6572 (fax)

they have a good selection of electroformed mesh that meet your


requirements.

-dave

#######################################################
From: park@netcom.com (Bill Park)
Subject: Operating principle of quadrupole mass spectrometer?
Organization: Netcom Online Communications Services (408-241-9760 login: guest)
Date: Thu, 31 Aug 1995 03:34:12 GMT

Can someone please provide a brief explanation of how a quadrupole


mass spectrometer works?

Thanks,

Bill Park

#######################################################
From: wyattj@nrlfs1.nrl.navy.mil (jrw)
Subject: Re: Operating principle of quadrupole mass spectrometer?
Date: Thu, 31 Aug 1995 09:09:09 LOCAL
Organization: nrl

In article <42494f$ee7@acmex.gatech.edu> park@netcom.com (Bill Park) writes:


>Path: ra.nrl.navy.mil!news.math.psu.edu!news.cac.psu.edu!newsserver.jvnc.net!
newsserver2.jvnc.net!howland.reston.ans.net!gatech!gt-news!prism!prism!not-for-mail
>From: park@netcom.com (Bill Park)
>Newsgroups: sci.techniques.mass-spec
>Subject: Operating principle of quadrupole mass spectrometer?
>Followup-To: sci.techniques.mass-spec
>Date: 31 Aug 1995 08:15:11 -0400
>Organization: Netcom Online Communications Services (408-241-9760 login: guest)
>Lines: 8
>Sender: cminvms@prism.gatech.edu
>Approved: cminvms@acmex.gatech.edu
>Message-ID: <42494f$ee7@acmex.gatech.edu>
>NNTP-Posting-Host: acmex-prism.gatech.edu

>Can someone please provide a brief explanation of how a quadrupole


>mass spectrometer works?

>Thanks,

>Bill Park

In the simplest terms the answer is that only ions with a certain range
of mass to charge ratios are stable in the rf-dc fields of the quadrupole ms.
Ions of less mass will strike the negative rods, which is sort of intuitive;
and ions of more mass will strike the positive rods, which has never been
intuitive to me. If you wish to study the solutions to the differential
equations reguarding this matter you can see why it is so complicated.

A good text on quadrupole mass spec. is "Quadrupole Mass Spectrometry" by


Peter Dawson.

A few years ago I wrote a simple basic program that numerically integrates
the ion trajectories in the x,y planes of the quadrupole and plots the
path. If there is interest I will post it to this newgroup. It is actually
quite a simple program but does a good job of illustrating how a qms works.

Dr. Jeffrey R. Wyatt


Code 6110
Naval Research Laboratory
Washington, DC 20375
(202) 767-3244
(202) 404-8119 FAX

#######################################################
From: kanter@anl.gov (Elliot P. Kanter)
Subject: Re: Operating principle of quadrupole mass s
Date: 31 Aug 1995 15:20:18 GMT
Organization: Argonne National Laboratory, Argonne, IL

>In article <42494f$ee7@acmex.gatech.edu> park@netcom.com (Bill Park) writes:


>
>>Can someone please provide a brief explanation of how a quadrupole
>>mass spectrometer works?
>
>>Thanks,
>
>>Bill Park

Here's a very "simplistic" picture of it which is what I think


you are asking for:

A 2-dimensional electrostatic quadrupole field (as is generated


by a quadrupole mass filter) forms a saddle-shaped potential. If you
put a charged particle in it, it is confined in one direction, but
unconstrained in the transverse direction with an unstable equilibrium
right at the center. If you add an rf-potential to this, you are in
effect rotating the field so that as the particle starts to roll down
the "saddle", the saddle rotates and suddenly is constrained in that
direction. You can therefore imagine that depending upon the
frequency of rotation, curvature of the saddle, and mass/charge of the
particle, you can find a combination of those parameters so that the
particle oscillates around the center. In essence, you've created a
dynamical harmonic potential in the transverse plane.

I once saw the late Wolfgang Paul demonstrate the gravitational


analog of this principle with a lucite saddle rotated by a motor which
he could sit atop an overhead projector. When the saddle is
stationary and he put a ball in the center, it naturally fell down, but
by increasing the rotational frequency, he could eventually trap the
ball and demonstrate its harmonic motion. Of course for the
gravitational case, the acceleration is independent of the mass so he
could trap balls of different mass in this way. A good description of the
details can be found in Paul's Nobel Lecture which can be found in
Reviews of Modern Physics, Vol. 62 (1990) pg. 531-540.

#######################################################
From: "K. Murray" <kmurray@emory.edu>
Subject: Re: Operating principle of quadrupole mass spectrometer?
Date: 31 Aug 1995 16:19:42 GMT
Organization: Emory University

Virginia Tech has a brief quadrupole MS description at


http://www.chem.vt.edu/chem-ed/mass-spec/ms-quadrupole.html

-----

Kermit K. Murray
mailto:kmurray@emory.edu
http://tswww.cc.emory.edu/~kmurray/

#######################################################
From: pggreen@cco.caltech.edu (Peter G. Green)
Subject: Re: Operating principle of quadrupole mass spectrometer?
Date: Thu, 31 Aug 95 19:13:20 GMT
Organization: Caltech (Environmental Engineering Science)

>Can someone please provide a brief explanation of how a quadrupole


>mass spectrometer works?
>
In brief: "Maxwell's Equations of Electromagnetism."

(There is a lot of mathematics involved. I might be able to dig up a


literature reference if no one has it on line.)

I'm content to have glanced at the explanation, glad I didn't have to


figure it out -- especially the first time!, and happy that they're
so reliable at doing what they're supposed to.

-Peter Green

#######################################################
From: douglas@chem.ubc.ca (Don Douglas)
Subject: Re: Operating principle of quadrupole mass s
Date: 31 Aug 1995 23:24:33 GMT
Organization: University of British Columbia

Paul's lecture is great. You might also try "The Quadrupole Mass Filter:
Basic Operating Concepts", P. Miller and M. Denton, J. Chem. ed.
63,617,1986. Not great but some like it.
Don

#######################################################
From: KevinJWK@aol.com
Date: Fri, 1 Sep 1995 00:10:13 -0400
Subject: Molecular formula prediction software

Is there any software available that you could enter the relative abundances
of an isotope cluster and it would predict a molecular formula?

Kevin Wells-Knecht
Rhone-Poulenc Ag
Mass Spectrometry Dept.

#######################################################
From: Axel Boddenberg <boddenbe@wrcd1.urz.uni-wuppertal.de>
Subject: Spikes in GC/MS
Date: 1 Sep 1995 07:26:03 GMT
Organization: BUGH Wuppertal FB 9 Analytical Chemistry

Often TIC measured with GC/MS (range 10 -800 amu) shown spikes at
different times with the Spectrum of air (28, 32, 18,44 amu).
The spikes are in a normal range and their is no problem.

I wonder that spikes with differend times are shown and not an permanent
underground of air.

Is there anybody who have an answer?

Thanks

Axel

#######################################################
From: vilboisf@iprolink.ch (Francis Vilbois)
Subject: New Sciex instruments
Date: Fri, 01 Sep 1995 12:09:58 +0100
Organization: Internet ProLink

Does anyone have some experience with the new API 100 and API 300 Sciex
mass spectrometers? I am interested in testing out the API 300 for
sequencing peptides at the low picomole level?

--
Francis Vilbois

e-mail: vilboisf@iprolink.ch

#######################################################
From: KevinJWK@aol.com
Date: Fri, 1 Sep 1995 00:10:13 -0400
Subject: Molecular formula prediction software

Is there any software available that you could enter the relative abundances
of an isotope cluster and it would predict a molecular formula?

Kevin Wells-Knecht
Rhone-Poulenc Ag
Mass Spectrometry Dept.

#######################################################
**************************************************
From: "Gregory G. Dolnikowski" <dolnikows_ms@hnrc.tufts.edu>
Subject: Re: Operating principle of quadrupole mass s
Date: 1 Sep 1995 19:03:39 GMT
Organization: HNRC at Tufts University

There is a more detailed yet still concise description of the operation of a


quadrupole mass spectrometer in Chapter 2, Mass Analyzers, in Methods in Enzymology
Volume 193, pp. 56-60. There is also a section on quadrupole mass spectrometry
in J. T. Watson's book, Introduction to Mass Spectrometry.

********************************************************************************Fro
m news@quartz.MV.COM Sun Sep 3 08:40:53 1995
From: john@wd1v.MV.COM (John Seney)
Subject: Digital Scope.FAQ
Organization: MV Communications, Inc.
Date: Sun, 3 Sep 1995 13:42:29 GMT

\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\

FALL / 1995 DIGITAL SCOPE.FAQ - VERSION 2.00

:::::::::::::::::::::::::::::::::::::
::Date/Time | O O ::
:: /\ | ::
:: / \ | O O ::
:: / \ /\ | ::
::__/ \ / \ /`| O O ::
:: \ / \/ | ::
:: \ / | O O ::
::1 GHz BW \/ 2 GS/s |________::
::________________________|A B C D ::
:: rise 1.5 ns | x x x ::
:: fall 4.9 ns | x x x ::
::_________________________________::
::(*) (*) (*) (*) (*) (*) ::
:::::::::::::::::::::::::::::::::::::
::: :::

Dear Technologist(s):

This Digital Storage Scope.FAQ file contains many (but not all) of your
answers to the more "Frequently Asked Questions" re: Digital Storage
Oscilloscopes (DSOs).
The answers and suggestions come from > a decade of my experience as a
DSO sales engineer in Boston, MA. The opinions are mine and represent no
company or service - they are meant simply to be helpful, generic, and easy
to understand.

Thanks to the hundreds of responses to the earlier versions of this FAQ.

Feel free to contact me anytime (john@wd1v.mv.com) if you have additional


questions or comments.

If you want the next version of this file sent to you automatically, send an
EMAIL where the subject field contains the text "subscribe scope.faq".

\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\
KEY ISSUES REVIEWED IN THIS FAQ (in order of appearance)

* DSO INDUSTRY TRENDS (Whats happening in DSO technology this year?)

* DSO FORM FACTORS (What types of DSOs are there?)

* PRIMARY DSO FUNCTIONS (What can DSOs actually do?)

* COMPARISONS (How can I best compare various models)

* APPLICATIONS (What are the most common DSO applications?)

* ADCs (What speed do I really need on each channel?)

* BANDWIDTH & TRIGGER (What numbers and functions are right?)

* ARCHIVAL & MEMORY (How fast, how deep, and can I get more?)

* DISPLAYS (What am I really looking at?)

* MEASUREMENTS (How much is my signal changing over time?)

* DIGITAL SIGNAL PROCESSING (How can I obtain more useful information?)

* DEMOS & PURCHASING (How can I see and get the DSO I really need?)

Best regards,

\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/
John D. Seney, WD1V Internet: john@wd1v.mv.com
144 Pepperidge Drive America On Line: jseney@aol.com
Manchester, NH 03103-6150 AX.25 Pkt: wd1v@wb1dsw.nh.usa.na
(H) 603-668-1096 Ampernet: wd1v@wd1v.ampr.org
\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/
LeCroy Sales Engineering - Maine, New Hampshire, and Northeastern
Massachusetts
(O) 800-553-2769 (F) 603-627-1623 (P) 800-SKYPAGE #5956779

All opinions are my own, including Digital Storage Scope.FAQ

To obtain the latest copy automatically, simply send me an EMAIL


with "subscribe scope.faq" in the subject field.
\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/
********************************************************************************Fro
m news@zippo.com Mon Sep 4 03:35:33 1995
From: News Group <news@zippo.com>
Subject: Re: Operating principle of quadrupole mass spectrometer?
Organization: Zippo
Date: Mon, 4 Sep 1995 07:33:08 GMT

park@netcom.com (Bill Park) wrote:

>Can someone please provide a brief explanation of how a quadrupole


>mass spectrometer works?

Bill,

A Quadrupole MS allows fast mass scanning with detection limits to


sub-ppm levels. It uses a similar cryo-cooled glow discharge cell as
the GDMS (Glow Discharge Mass Spectromer). Unlike the GDMS which
uses a double focussing magnetic-electrostatic sector, the Quad. MS
uses four rods in a square array. Each of these rods are charged
alternately, thus....
+ -
- +

Between these rods an electric field is generated which only allows


stable trajectiories for ions having a narrow range of charge to mass
ratio. Though less expensive and faster than the GDMS, resolution is
much lower, so many of the mass spectral interferences cannot be
resolved resulting in much poorer detection limits.

I have experience with both techniques and would be glad to answer any
further questions you have by e-mail.

FBH

********************************************************************************Fro
m news@zippo.com Mon Sep 4 03:35:33 1995
From: News Group <news@zippo.com>
Subject: Re: Operating principle of quadrupole mass spectrometer?
Organization: Zippo
Date: Mon, 4 Sep 1995 07:33:08 GMT

park@netcom.com (Bill Park) wrote:

>Can someone please provide a brief explanation of how a quadrupole


>mass spectrometer works?

Bill,

A Quadrupole MS allows fast mass scanning with detection limits to


sub-ppm levels. It uses a similar cryo-cooled glow discharge cell as
the GDMS (Glow Discharge Mass Spectromer). Unlike the GDMS which
uses a double focussing magnetic-electrostatic sector, the Quad. MS
uses four rods in a square array. Each of these rods are charged
alternately, thus....
+ -
- +

Between these rods an electric field is generated which only allows


stable trajectiories for ions having a narrow range of charge to mass
ratio. Though less expensive and faster than the GDMS, resolution is
much lower, so many of the mass spectral interferences cannot be
resolved resulting in much poorer detection limits.

I have experience with both techniques and would be glad to answer any
further questions you have by e-mail.

FBH

********************************************************************************Fro
m news@zippo.com Mon Sep 4 03:35:33 1995
From: News Group <news@zippo.com>
Subject: Re: Operating principle of quadrupole mass spectrometer?
Organization: Zippo
Date: Mon, 4 Sep 1995 07:33:08 GMT

park@netcom.com (Bill Park) wrote:

>Can someone please provide a brief explanation of how a quadrupole


>mass spectrometer works?

Bill,

A Quadrupole MS allows fast mass scanning with detection limits to


sub-ppm levels. It uses a similar cryo-cooled glow discharge cell as
the GDMS (Glow Discharge Mass Spectromer). Unlike the GDMS which
uses a double focussing magnetic-electrostatic sector, the Quad. MS
uses four rods in a square array. Each of these rods are charged
alternately, thus....
+ -
- +

Between these rods an electric field is generated which only allows


stable trajectiories for ions having a narrow range of charge to mass
ratio. Though less expensive and faster than the GDMS, resolution is
much lower, so many of the mass spectral interferences cannot be
resolved resulting in much poorer detection limits.

I have experience with both techniques and would be glad to answer any
further questions you have by e-mail.

FBH

********************************************************************************Fro
m Henri.Valeins@rmsb.u-bordeaux2.fr Mon Sep 4 12:13:56 1995
Date: Mon, 4 Sep 1995 18:17:38 +0200
From: Henri.Valeins@rmsb.u-bordeaux2.fr (Henri Valeins)
Subject: isotopomer analysis
I'm very interested by isotopomer analysis of small molecule by GC and with
a quadripole mass spectrometer. What is the routinely limit of carbon
enrichment measure ?
Any info or pointers to sources is greatly appreciated.

Thanks
H. Valeins
RMSB-CNRS
Universite de Bordeaux II
E-Mail : valeins@rmsb.u-bordeaux2.fr

********************************************************************************Fro
m news@sunb.ocs.mq.edu.au Mon Sep 4 17:42:32 1995
From: Daniel Jardine <Daniel.Jardine@mq.edu.au>
Subject: Re: Operating principle of quadrupole mass spectrometer?
Date: 4 Sep 1995 21:42:20 GMT
Organization: Macquarie University

A good article on the operating principles of a quadrupole mass filter is


by : P.E. Miller and M. Bonner Denton, Journal of Chemical Education
(1986), Vol.63(7), pp.617-622.

Daniel

********************************************************************************Fro
m CEPA.STEVEN@igate.pprd.abbott.com Tue Sep 5 16:54:27 1995
Date: Tue, 05 Sep 1995 13:13:00 -0500 (CDT)
From: "Steven P. Cepa 708-937-7539" <CEPA.STEVEN@igate.pprd.abbott.com>
Subject: September Meeting

(please post this announcement where practical)

MCM-MSDG September meeting

Thursday, September 14
Grand Palace in Gurnee (Illinois)

Advances in In-Line Surface Induced Dissociation (SID)


Devices for Tandem Mass Spectrometry

by Kevin Schey
Medical University of South Carolina
1992 ASMS Research Awardee

Abstract:
SID dissociation efficiencies as high as 13% were measured for the
pentapeptide leucine enkephalin and 20% for the octapeptide VHLTPKVEK (MW
922). CAD dissociation efficiencies averaged only 1% for these two peptides.
SID product ion spectra clearly indicate higher internal energy deposition
compared to high-energy CAD data. These results suggest that utilization of
in-line SID is a high performance instrument is a viable method for structural
analysis.
Call 708-245-3403 to register (by Sept. 11 please).

********************************************************************************Fro
m spectroscopy
From: spectrscpy@aol.com (Spectrscpy)
Subject: MS Survey
Date: 22 Aug 1995 19:27:53 -0400
Organization: America Online, Inc. (1-800-827-6364)

The October issue of SPECTROSCOPY magazine -- our 10th anniversary issue


-- will feature an article reviewing the key developments is spectrometric
analysis during the past decade. Here's an opportunity for
sci.techniques.mass-spec users to "vote" for the 10 events, discoveries,
product introductions, publications, etc. that have had the biggest impact
on the field since 1985. The results will appear in our October issue.

Everyone is welcome to participate, but we need to hear from you


immediately. Please e-mail your "top 10 list" to the following address by
Monday, August 28, 1995: spectrscpy@aol.com

No names will be published, but be sure to include your name and contact
information in case we have questions.

We welcome your participation and hope you'll enjoy this special issue.
Michael MacRae
Editor

********************************************************************************Fro
m News-System@open.ac.uk Thu Sep 7 06:20:52 1995
From: Iain Gilmour <I.Gilmour@open.ac.uk>
Subject: Post Doctoral Fellowship
Date: 7 Sep 1995 10:18:37 GMT
Organization: The Open University, Milton Keynes, UK

DEVELOPMENT OF STABLE ISOTOPE METHODS FOR DETECTION OF STEROID HORMONE MISUSE

In livestock production and sport, the detection of abuse of endogenous hormones


presents the analyst with an interesting challenge. A completely new approach to
provide a greater level of security concerning whether hormones were naturally
produced, or adiministered is to obtain compound specific isotopic (CSI)
compositions
of the compounds of concern and compare the data with internal standards isolated
contemporaneously from the subject. Such methods have proved invaluable as a means
of
recognising the aldulteration of flavours, fragrances etc. with synthetic
substitutes.
To be suitable for drug studies, CSI analysis needs a careful appraisal of sample
work
up procedures, particularly the use of derivatisation where applicable.

The Horseracing Forensic Laboratory (HFL) is being funded by the UK Ministry of


Agriculture and Fisheries, MAFF (Subject to Contract) to investigate methods using
stable isotopes for the detection of the administration of endogenous hormones for
growth promotion in animals destined for human consumption. The project will be
carried out using state-of-the-art isotope facilties in the Planetary Sciences Unit
at the Open University, where the post doctoral fellow will be based. We are
seeking a
chemist/biochemist with a background in GC-MS, experience in establishing
procedures
for quantitative analysis of complex mixtures including testing various
derivatization
methods and optimization of gas chromatographic parameters, to pioneer this novel
application. A knowledge of stable isotope applications (GC-IR-MS) would be
advantageous but not essential.

The person appointed will be employed by HFL for the duration of this contract, but
seconded to the OU in Milton Keynes. Salary will be commensurate with experience
for a
candidate with a PhD.

Applications should be sent to Dr Ed Houghton, The Horseracing Forensic Laboratory


Ltd., P.O. Box 15, Snailwell Road, Newmarket, Suffolk, CB8 7DT giving names and
telephone number/email addresses of two referees by October 1, 1995.

Informal discussions or further information can be obtained from:

Dr E. Houghton Tel. +44 (0)1638 663867, email


houghton@hfl.demon.co.uk
Prof. C.T. Pillinger FRS Tel. +44 (0)1908 652119, email psu@open.ac.uk
Dr I. Gilmour Tel. +44 (0)1908 655140, email I.Gilmour@open.ac.uk

For further info http://exodus.open.ac.uk/earth/research/groups/psu.html

********************************************************************************Fro
m callahan@nrlfs1.nrl.navy.mil Thu Sep 7 16:00:36 1995
Date: Thu, 7 Sep 95 15:30:28 -0400
From: callahan@nrlfs1.nrl.navy.mil (John Callahan)
Subject: Washington-Baltimore Mass Spec Discussion Group

The Washington-Baltimore Mass Spectrometry Discussion Group will be


having its annual corporate poster night and picnic on Monday, September
11, 1995 at 6:00 PM. The location is the Hewlett-Packard Divisional Office,
Park Plaza Building, 2101 Gaither Rd, Rockville,MD. A tour of the
Hewlett-Packard instrumentation at Microbiological Associates will be held
before the picnic.
Contact John Callahan for more details.

eot

John H. Callahan
Code 6113/Chemistry Division
Naval Research Laboratory
Washington, D.C. 20375
202-767-0719
FAX 202-404-8119
John.Callahan@nrl.navy.mil

********************************************************************************Fro
m db32@prism.gatech.edu Thu Sep 7 16:55:59 1995
From: db32@prism.gatech.edu (David E. Bostwick)
Subject: Atlanta/Athens Discussion Group Meeting
Date: 7 Sep 1995 16:42:27 -0400
Organization: Georgia Institute of Technology

The Atlanta/Athens Mass Spectrometry Discussion Group will have its


Manufacturers' Night on Monday, September 25. The meeting will be held at
the Student Success Center at Georgia Tech. There will be a buffet meal at
7:00 p.m., a short business meeting after the meal, with the remaining time
for discussion with the manufacturers' representatives.

For more information contact David Bostwick or Sarah Shealy at (404)


894-4061, <david.bostwick@chemistry.gatech.edu>, or
<sarah.shealy@chemistry.gatech.edu>.

--
David E. Bostwick
Georgia Institute of Technology, Atlanta, GA, 30332
david.bostwick@chemistry.gatech.edu

********************************************************************************Fro
m news@dub-news-svc-6.compuserve.com Fri Sep 8 11:59:46 1995
From: <100716.2042@compuserve.com>
Subject: Re:VG Organic's existance
Date: 8 Sep 1995 11:55:41 GMT
Organization: CompuServe Incorporated

VG is still alive and kicking and will remain so for a long time to come.
Whatever happens in the future it looks as though we will remain an
independant company. See this newsgroup for more details in the future
or see our home page on http://www.vgorganic.co.uk
Regards
Jim Speakman
I can also be reached on Jim.Speakman@instruments.fisons.co.uk

********************************************************************************Fro
m 100716.2042@compuserve.com Fri Sep 8 11:28:29 1995
Date: 08 Sep 95 11:18:56 EDT
From: James Speakman <100716.2042@compuserve.com>
Subject: Re: VG,s existance.

That was a fast response!


Sorry to have left the message unsigned, I'm new to the internet. Anyway, to
expand, it looks very unlikely that Thermo will be allowed to take VG ORGANIC
over, due to anti trust legistlation in The USA. Thats as much as I know,
although a more lengthy statement will be posted by our sales and marketing dept
in the next day or so. Watch out on the internet news on
sci.techniques.mass-spec
Regards,
Jim Speakman
Product Manager VG Organic Tudor Road.
Personal E-mail can also be sent to Jim.Speakman@instruments.fisons.co.uk,
although this address may change soon!
********************************************************************************Fro
m news@news.alaska.edu Fri Sep 8 11:52:33 1995
From: ffdjm@aurora.alaska.edu (Douglas McIntosh)
Subject: Re: Spikes in GC/MS
Date: 8 Sep 1995 15:53:33 GMT
Organization: none

I had the same problem with an old Finnigan GC-MS and found that the
spikes were air. I was unable to locate the leak using the usual techniques
and finally concluded that the leak was likely in a defective weld in the
diffusion pump. The episodic nature of the leak strongly suggested bubble
formation in some liquid. These bubbles expand and then burst into the
vacuum, causing spikes in the TIC and on the ion gauge. The most viscous
liquid is found in the cooler parts of the diffusion pump.

********************************************************************************Fro
m nelsone@sibyl.saic.com Fri Sep 8 12:35:13 1995
Date: Fri, 08 Sep 1995 09:33:18 -0700
From: "Eric R. Nelson, Ph.D." <nelsone@sibyl.saic.com>
Subject: PC as Mass Spec

Has anyone ever run across what amounts to turning a PC platform into a mass
spec? I saw a demonstration of a PC-as-mass-spec several years ago, but I
have forgotten the name of the company.

ern

********************************************************************************Fro
m news@vishnu.jussieu.fr Fri Sep 8 14:54:46 1995
From: Kiliulis Rimgaudas <kiliulis@vishnu.jussieu.fr>
Subject: seeking post-doc or researcher position
Date: 8 Sep 1995 18:54:31 GMT
Organization: Universites Paris VI/Paris VII - France

I am looking for the post-doc or temporary researcher position in the


field of solid state physics.
My CV shortly:

Rimgaudas P. KILIULIS, born 26.11.1961 in Vilnius, Lithuania.


Married, two children.

HOME ADDRESS: Lvovo 59-5, 2005 Vilnius, Lithuania.

POSITION: Research Scientist in the Department of Semiconductor Physics,


Vilnius University.

INSTITUTION ADDRESS: Department of Semiconductor Physics, Vilnius University,


Sauletekio 10, 2054 Vilnius, Lithuania.Tel: 370-20769503, fax: 370-2-223563,
e-mail: rimgaudas.kiliulis@FF.VU.LT

DEGREES: 1985 degree in physics (physiscist, teacher), 1993-Ph.D. "Deep


Levels and Metastable Behavior of Semi-Insulating GaAs Crystals";
supervisor Dr.J.Vaitkus
RESEARCH EXPERIENCE in Vilnius: 1985-1987 laboratory assitant, 1987-1990
Doctoral studies, 1990-1993 Junior Researcher, from June 1993- Research
Scientist.

RESEARCH INTEREST: III-V semi-insulating crystals (GaAs, InP),CdSe.


Investigation of defects by photoconductivity, thermally stimulated
current, Hall-effect methods (photo-Hall transients, thermally stimulated
Hall mobility).

POST-DOC studies with French Government felloship 02.01.1995.-28.09.1995 in


Groupe de Physique des Solides, Paris Universite 7. Supervisor-
Dr.J.C.Bourgoin. Work with 3-MeV van de Graaff electron accelerator, DLTS,
I-V, carrier lifetime measurements. Investigation of defects induced by
electron irradiation in GaAs, GaAlAs materials and devices and of
degradation of GaAs and Si solar cells.

Languages: Lithuanian (native), Russian, Polish, English, French, Esperanto.

About 20 scientific publications.

Temporary address (until 28.09.1995):


Groupe de Physique des Solides,
Universite Paris 7
Tour 23, 1 etage
2 place Jussieu
75251 PARIS Cedex O5.
Tel: 33-1-44274688, fax: 33-1-43542878, e-mail: kiliulis@gps.jussieu.fr

========================================
Rimgaudas
kiliulis@gps.jussieu.fr

========================================
Rimgaudas
kiliulis@gps.jussieu.fr

********************************************************************************Fro
m news@vishnu.jussieu.fr Fri Sep 8 14:57:43 1995
From: Kiliulis Rimgaudas <kiliulis@vishnu.jussieu.fr>
Subject: second hand lasers wanted
Date: 8 Sep 1995 18:57:33 GMT
Organization: Universites Paris VI/Paris VII - France

I'd like to buy second hand YAG, CO2 lasers.


Power 100-1000W.

kiliulis@gps.jussieu.fr

or directly to
saulius.juodkazis@FF.VU.LT
********************************************************************************Fro
m news@sunmail.lrz-muenchen.de Sat Sep 9 07:04:12 1995
From: Werner Spahl <ui22273@sun1.lrz-muenchen.de>
Subject: Mass spectrometry books?
Date: 9 Sep 1995 11:02:00 GMT
Organization: Leibniz-Rechenzentrum, Muenchen (Germany)

Hi, I am looking for a good actual book about organic mass spectrometry.
I own Chapmans Practical Organic Mass Spectrometry and am searching for a
similar book about fragmentations etc. Any recommendations?

********************************************************************************Fro
m news@mhadg.production.compuserve.com Sun Sep 10 04:05:50 1995
From: Andreas Walte <100043.1150@CompuServe.COM>
Subject: GC / Ion trap MS-MS
Date: 10 Sep 1995 08:05:35 GMT
Organization: Techncal University Hamburg-Harbug

I would like to use an GC / ion-trap MS with MS-MS technique and


an external NI ion source for the detection of chlorinated
compounds in the environment (like PCP, PCB, TCDF). I would like
to use this high selective device for getting fast and accurate
concentrations without having to use time consuming clean-up
procedures of the samples (example: ppb concentration of PCB in
oil !).
I would like to know if this can work and what detection limit
one can expect. Is there anybody with some practical experience?
How often do i have to clean the ion source (PCb in oil)?

Thanks for help !


Andreas

(Walte@tu-harburg.de)

********************************************************************************Fro
m news@pipex.net Sun Sep 10 07:19:16 1995
From: Mike Head <aa04@dial.pipex.com>
Subject: Announcement: interLAB Update
Date: 10 Sep 1995 11:19:03 GMT
Organization: The Virtual Networking Company Ltd.

NEW FOR SEPTEMBER: infoNET @ interLAB

The information library for the latest news, products, publications


and articles.

Following the successful launch of interLAB - the leading virtual event on


the Internet for the Scientific Instrument, Supplies and Services Industry
- we are now able to offer infoNET.

In this section you will find brief descriptions of the latest products,
services and literature available from an extensive range of
Manufacturers and Suppliers.

The infoNET area is updated every month so make sure you've bookmarked
the interLAB URL and keep in touch with the latest news and information.
If you wish to send a direct message to any of the Companies listed
look out for the MAILTO boxes at the end of their entry.

We are constantly on the look out for new facilities to offer interLAB
Visitors and would be glad to receive your suggestions. These may be
e-mailed to our Organisers' Office on da46@cityscape.co.uk.

We look forward to seeing you at interLAB.

http://www.interlab.co.uk/interlab

********************************************************************************Fro
m root@newsbf02.news.aol.com Sun Sep 10 12:57:42 1995
From: schtuper@aol.com (Schtuper)
Subject: MS Related Images on the Internet
Date: 10 Sep 1995 12:57:29 -0400
Organization: America Online, Inc. (1-800-827-6364)

I'm looking for clip-art to use in an upcoming presentation related to


GC/MS. So far I have not had a lot of luck browsing available internet
sites. Any suggestions as to where such graphics can be found?

Thanks,

Dave M.

********************************************************************************Fro
m news@news.bu.edu Sun Sep 10 21:20:13 1995
From: kacher@bu.edu (Daniel Kacher)
Subject: MRI / DNA
Date: 11 Sep 1995 01:19:59 GMT
Organization: Boston University

Does anyone know of any areas of intersection

between spectroscopy/MRI and genetics? Can

any infomation be gained about genes, neucleotides,

gene expression, transcription, etc using MRI?

Does anyone out there use a SMIS system?

********************************************************************************Fro
m root@newsbf02.news.aol.com Mon Sep 11 09:41:22 1995
From: sismspec@aol.com (Sismspec)
Subject: Index of Mass Spectrometer Labs offering Sample Analysis
Date: 11 Sep 1995 09:41:10 -0400
Organization: America Online, Inc. (1-800-827-6364)
As part of our new home page, SIS will be posting a list of mass
spectrometer labs offering sample analysis as a service. This listing is
free. InI this section of our home page called MS-Links we will be listing
laboratories that can be contacted to analyze samples, perform an analysis
on specialized equipment or do specific studies, i.e high resolution, FAB,
dioxin analysis, etc.

If you would like to have your laboratory listed in this index, please
send me an E-Mail message with the name of your lab, address, phone
number, e-mail, fax and contact person. You can also include special
services that you can provide. If you have a home page we can link to
your home page.

Our home page is in the process of being created and will be fully
operational shortly. Our URL is: http://www.sisweb.com

John J. Manura
Scientific Instrument Services
Supplies and Services for mass spectrometers, gas chromatographs and
related scientific equipment.
E-Mail: sismspec@aol.com
Phone: 908-788-5550
Fax: 908-806-6631

********************************************************************************Fro
m news@rover.ucs.ualberta.ca Mon Sep 11 17:23:49 1995
From: alan_hogg@ualberta.ca (Alan Hogg)
Subject: Wanted: Used High-Res. M.S.
Date: 11 Sep 1995 21:23:32 GMT
Organization: University of Alberta

We would like to buy a used high resolution magnetic sector mass


spectrometer capable of 10,000 RP Selected Ion Recording from a capillary
GC. A VG 70S or AutoSpec or a Kratos MS50 would be preferred.

********************************************************************************Fro
m CEPA.STEVEN@igate.pprd.abbott.com Tue Sep 12 11:35:20 1995
Date: Tue, 12 Sep 1995 10:14:00 -0500 (CDT)
From: "Steven P. Cepa 708-937-7539" <CEPA.STEVEN@igate.pprd.abbott.com>
Subject: Meeting

Come 'on guys, there are only 12 registered for the MCM-MSDG meeting on
Thursday (as of Tuesday morning).

**************************************************************************

MCM-MSDG September meeting

Thursday, September 14
Grand Palace in Gurnee (Illinois)

Advances in In-Line Surface Induced Dissociation (SID)


Devices for Tandem Mass Spectrometry

by Kevin Schey
Medical University of South Carolina
1992 ASMS Research Awardee

Abstract:
SID dissociation efficiencies as high as 13% were measured for the
pentapeptide leucine enkephalin and 20% for the octapeptide VHLTPKVEK (MW
922). CAD dissociation efficiencies averaged only 1% for these two peptides.
SID product ion spectra clearly indicate higher internal energy deposition
compared to high-energy CAD data. These results suggest that utilization of
in-line SID is a high performance instrument is a viable method for structural
analysis.

Call 708-245-3403 to register (by Sept. 11 please).

********************************************************************************Fro
m news@usenet1.interramp.com Wed Sep 13 09:57:42 1995
From: Ted Morawski <pp000531@interramp.com>
Subject: Technology 2005
Date: Wed, 13 Sep 95 09:55:27 PDT
Organization: PSI Public Usenet Link

TECHNOLOGY 2005
AMERICA'S PREMIER SHOWCASE OF NEW & EMERGING TECHNOLOGY

Sponsored by NASA, NASA Tech Briefs magazine, and the


Technology Utilization Foundation, in cooperation with
the Federal Laboratory Consortium.

October 24, 25 and 26, 1995


McCormick Place Convention Center - Chicago, Illinois

Over 60,000 Sq. Ft. Of Exhibits

---------------------------------------------------------------------------
A "who's who" of federal labs, universities, & high-tech firms will
demonstrate an amazing array of inventions & products available for
license, joint development, or sale. See the giant 5000 sq. ft. NASA
pavilion; the "Transportation Tomorrow" pavilion of advanced automotive,
aviation, mass transit, & marine technologies; an expanded SBIR product
showcase; & much, much more. Admission to the exhibits hall is FREE of
charge.

Three Information-Packed Days Of Symposia

Discover a wealth of advanced technologies for transfer in Manufacturing,


Computing & Communications, GPS, Environmental Technology, Materials
Science, Medical Technology, Microelectronics, Display/Imaging, Power &
Energy, Robotics, & Sensors/Instrumentation.

Plenary "Windows To The Future"


Morning plenary sessions will focus on technology breakthroughs & key
alliances that will shape the fields of Transportation, Digital
Communications, & Environmental Technology into the next millennium.

Hands-On Workshops

Learn from the pros how to successfully: license patents ... enter into
cooperative R&D agreements ... obtain SBIR grants ... contract with the GSA
.. find profitable niche markets ... form international partnerships.
These & other valuable workshops are included with your symposia
registration.

Internet Training Sessions

Daily training sessions will help you to navigate the net & take full
advantage of on-line engineering & scientific resources. Courses are FREE
for preregistrants & are offered for both beginners & advanced users.

Who Should Attend

If you are an engineer, manager, scientist, or entrepreneur who needs to


keep on the cutting edge & explore new product ideas, Technology 2005 is
the one event you cannot afford to miss. This unique, NASA-sponsored
business resource will help you:

* solve engineering & design problems (& avoid reinventing the wheel)
* create new products & uncover new markets for your current product
line
* improve your manufacturing techniques
* find potential partners & funding sources
* stay ahead of the technology curve - & the competition

"An incredible gathering of the world's finest advanced technology


providers... if you have any interest in leading-edge technologies and
their potential applications, this is the place to be." from Enterprise
Reengineering Magazine, describing last year's event, Technology 2004.

For more details on the events, presentations, and exhibitors - link


to the home page at:
http://www.keds.com/tech2005
This page also provides registration information, all contacts, and
the capability for on-line pre-registration.

E-mail: T2005@interramp.com

********************************************************************************Fro
m Jo Rita Jordan
From: Jo Rita Jordan <76150.2171@CompuServe.COM>
Subject: TOF users?
Date: 13 Sep 1995 13:19:41 GMT
Organization: Analytical Consumer

Analytical Consumer is a sort of "consumers' report" for


laboratories, and we are doing a survey of users of time of flight
mass spec instruments. We ask what equipment you own, why you bought
it, and what you think of it and its service. All names are
confidential, and responders receive a copy of the AC issue with the
survey. If you're interested, please e-mail me at
jjordan@world.std.com and I'll send you the detailed questions (they
usually only take a couple of minutes to answer).

Thanks, Jo Rita Jordan


Editor & Publisher

********************************************************************************Fro
m news@news.iastate.edu Wed Sep 13 17:49:07 1995
From: cebaker@iastate.edu (Charles E Baker)
Subject: Periodic table
Date: 13 Sep 1995 21:48:57 GMT
Organization: Iowa State University, Ames, Iowa USA

I am looking for a periodic table of the most abundent isotopes for our mass spec
lab. My contact with Kratos proved unsuccessful. If anyone knows where I may
find one please let me know.

**********************************************************************************
Charles Baker
Mass Spectrometry Lab
Chemical Instrumentation Facility
Iowa State University
**********************************************************************************
--
Charles E Baker Mass Spectrometrist
2929 Diamond Instrument Services Department
Ames, Iowa 50010 A0101 Gilman
233-0958 294-5544

cebaker@iastate.edu

********************************************************************************Fro
m news@unity.ncsu.edu Thu Sep 14 13:13:07 1995
From: howard@ch9000.chem.ncsu.edu (Howard Sanford)
Subject: Re: Periodic table
Date: Thu, 14 Sep 1995 13:13:41 -0400
Organization: NCSU Chemistry

In article <439e8g$o7u@acmex.gatech.edu>, cebaker@iastate.edu (Charles E


Baker) wrote:

> I am looking for a periodic table of the most abundent isotopes for our mass
> spec lab. My contact with Kratos proved unsuccessful. If anyone knows
> where I may find one please let me know.
>

I have one posted on the web. It's not so much a periodic table as it is a
list of the most abundent isotope masses. It is at

http://ch9000.chem.ncsu.edu/Exact_Mass.html

This is for browsers that support tables there is a text version at


http://ch9000.chem.ncsu.edu/Exact_Mass_nt.html

If you don't have access I'll be glad to send you (or anyone else) a copy.
I also have a copy of a paper from VG list the exact masses of all of the
isotopes, again not so much a periodic table as a list, but its what we
use in our lab.

Hope this helps.

Be seeing you...

/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-/-
Howard Sanford / "When I invite a woman to dinner, I
NCSU, Dept. of Chemistry, MS Facility / expect her to look at my face. That's
Raleigh, NC / the price she has to pay."
http://ch9000.chem.ncsu.edu / - Groucho Marx, A night at the Opera

********************************************************************************Fro
m root@globe.indirect.com Fri Sep 15 06:12:42 1995
From: Anne Coburn <coburn@indirect.com>
Subject: BS/MS MASS SPECTROSCOPIST NEEDED NOW! SO.CALIFORNIA
Date: 15 Sep 1995 10:12:35 GMT
Organization: Internet Direct, Inc.

RESEARCH ASSOCIATE II - Protein Mass Spectroscopist

The position detailed below is an IMMEDIATE opening,located in So.


California and requires an exceptionally bright and capable mass
spectroscopist, with experience in the characterization of peptides
and proteins. This person will work with leading scientist, and be
part of the most successful biotechnology company in the country.
(This a research position, not QA/QC)

OBJECTIVE/DUTIES:
- Participate in the characterization of proteins using mass spec.
- Act as an in-house liaison between this group and a diverse groups
in-house.
- Conduct and support research projects.

REQUIREMENTS:
- Bachelor's or Master's degree in Chemistry or Biochemistry. (No Ph.D.'s)
- A minimum of 3 years experience in mass spectroscopy, peptide and
protein characterization and mapping.
- Experience in Capillary LC/MS VERY ATTRACTIVE. Expertise in (EI)
electrospray LC/MS,LC/MS, and laser desorption ionization required.
- Proven interpersonal and communication skills, including writing
up results and explaining data inhouse, to diverse individuals
in various area/levels of the company.
- Expertise with protein and peptide mapping and characterization.
- The ability to operated specialized lab equipment & computers.
- Proven skills at the interpretation of mass spectra.
- Strong analytical skills.

For immediate and CONFIDENTIAL consideration, contact:


ANNE COBURN
Coburn Scientific Search
4449 E. WHITMAN
Tucson, AZ 85711-3515
Ph:520.881.008
Fax: 520.321.1475
e-mail: coburn@indirect.com
WOMEN & MINORITIES ENCOURAGED TO APPLY
--------------------------------------------------------------------

********************************************************************************Fro
m news@pfizer.com Fri Sep 15 08:06:39 1995
From: Drew Gibson <Drew_Gibson@sandwich.pfizer.com>
Subject: Re: Periodic table
Date: 15 Sep 1995 12:03:53 GMT
Organization: Pfizer

cebaker@iastate.edu (Charles E Baker) wrote:


>
>I am looking for a periodic table of the most abundent isotopes for our mass
>spec lab. My contact with Kratos proved unsuccessful. If anyone knows
>where I may find one please let me know.
>

If you have difficulty finding such a beast, you could compile your own from the
Table of the Isotopes in CRC Handbook of Chemistry =
and Physics (I believe the current edition is the 74th).

Cheers, Drew Gibson

********************************************************************************Fro
m news@emory.edu Fri Sep 15 10:13:20 1995
From: "K. Murray" <kmurray@emory.edu>
Subject: Re: Periodic table
Date: 15 Sep 1995 14:11:50 GMT
Organization: Emory University

cebaker@iastate.edu (Charles E Baker) wrote:


>
>I am looking for a periodic table of the most abundent isotopes for our mass
>spec lab. My contact with Kratos proved unsuccessful. If anyone knows
>where I may find one please let me know.
>

There is a list of WWW periodic tables at


http://www.yahoo.com/Science/Chemistry/Periodic_Table_of_the_Elements/

WebElements has Isotopoc abundances:


http://www.shef.ac.uk/chemistry/web-elements/web-elements-home.html

The list of WebElements mirror sites is at


http://www.shef.ac.uk/chemistry/web-elements/misc-nt/mirrors.html

----------

Kermit K. Murray
mailto:kmurray@emory.edu
http://tswww.cc.emory.edu/~kmurray/
********************************************************************************Fro
m news@saffron.hnrc.tufts.edu Fri Sep 15 11:32:01 1995
From: "Gregory G. Dolnikowski" <dolnikows_ms@hnrc.tufts.edu>
Subject: Wanted: Used HP 5988 GC/MS
Date: 15 Sep 1995 14:32:12 GMT
Organization: HNRC at Tufts University

Our laboratory has an HP 5988 A GC/MS and we would like to acquire another. We
have limited
funds, but would be able to pay $12,0000 for the instrument.It would be nice if the
instrument
had a GC attached but that is not necessary. We would even consider acquiring an
instrument
which was malfunctioning electronically if the vacuum system were intact.

We are also interested in acquiring a used isotope ratio mass spectrometer, with
hydrogen,
or carbon dioxide capabilities. We have more funds for such an instrument, perhaps
$15-20K.
We would prefer a VG instrument but would consider a Finnigan as well.

If you have an instrument of either type please contact:

Dr. Gregory G. Dolnikowski


Mass Spectrometry Lab Manager
Jean Mayer USDA Human Nutrition Research Center on Aging at Tufts University
711 Washington Street
Boston MA 02111

(617) 556-3298

dolnikows_ms@hnrc.tufts.edu

********************************************************************************Fro
m geblack@cbdcom.apgea.army.mil Fri Sep 15 15:56:46 1995
Date: Fri, 15 Sep 95 15:48:07 EDT
From: "Dr. Gavin E. Black" <geblack@cbdcom.apgea.army.mil>
Subject: Looking for Finnigan MAT on the net

I've done the Infoseeking, the crawling, and even the begging (at K.Murray's
Web page), but I STILL have not found a net site for Finnigan MAT. Anyone
have any suggestions?

Gavin E. Black, Ph.D.


U.S. Army - ERDEC
Aberdeen Proving Ground, MD 21010-5423

********************************************************************************Fro
m news@nntp-server.caltech.edu Fri Sep 15 16:39:28 1995
From: pggreen@cco.caltech.edu (Peter G. Green)
Subject: Re: Periodic table
Date: Fri, 15 Sep 95 20:39:05 GMT
Organization: Caltech (Environmental Engineering Science)

>
>I am looking for a periodic table of the most abundent isotopes for our mass
>spec lab. My contact with Kratos proved unsuccessful. If anyone knows
>where I may find one please let me know.
>
It is amazing how un-helpful a remarkable number of companies are!

For all sorts of Periodic Table information, try:

http://www.cchem.berkeley.edu/Table/web-elements-oldhome.html

They also provide duplicate locations around the world to minimize


un-necessary traffic over long, skinny wires.

-Peter Green

********************************************************************************Fro
m news@serval.net.wsu.edu Fri Sep 15 22:21:15 1995
From: knaack@wsu.edu (Charles Knaack)
Subject: Searching for Sciex
Date: Sat, 16 Sep 1995 03:24:44 GMT
Organization: W.S.U. Geology Dept.

Pardon the bandwidth, but I'm looking for somebody at Sciex or Perkin
Elmer that I can ask some questions about an ELAN 250 ICP/MS. We have
been having problems with excessive background counts. It seems to be
worse at higher incident plasma energies. The background count rate seems
to be very sensitive to the movement of the ribbon cables the mass-spec
bin and the power supply chassis. I suspect that somehow RF energy is
interfering with the pulse processing electronics, but I'm not quite sure
whereto look. Any help would be greatly appreciated.

Thanks,
Charles Knaack
Geoanalytical Lab
Washington State Univ.
(509) 335-1626
knaack@wsu.edu

--
Charles Knaack
Geoanalytical Laboratory
Geology Department
Washington State University
Pullman, WA 99164
(509)335-1626
knaack@wsu.edu

********************************************************************************Fro
m root@newsbf02.news.aol.com Sun Sep 17 14:01:30 1995
From: sismspec@aol.com (Sismspec)
Subject: New Mass Spec Web Site now on line
Date: 17 Sep 1995 14:01:15 -0400
Organization: America Online, Inc. (1-800-827-6364)

Scientific Instrument Services WEB site is now available. The address is:
http://www.sisweb.com

In additional to general information about SIS and our products available


to the mass spec market is a special section called: MSLINKS. This
section is designed to be a resource for the mass spec community. Included
are lists of independent servicemen, mass spec labs for sample analysis,
university mass spec lab facilities, reference literature and articles,
mass spec meeting announcements, mass specs for sale or wanted, employment
opportunities and links to other mass spec sites.

Reference materials Include the calibration peaks and spectra for the
common mass spec calibration compounds such as FC43 and PFK, an article on
mass spec sensitivity and mass spec tips.

We have tried something new - putting our full application notes on the
internet. They include full text and color charts and tables of data. We
would appreciate any feedback of the value of putting complete reference
articles on line for easy retrieval.

Input from the mass spec community for the various sections such as
employment, wanted/ for sale, ms groups, meetings and laboratory
facilities is requested. Suggestions as to other resources to be included
are appreciated.

Submit any requests or comments via E-Mail to: sismspec@aol.com

Most of the sections describing our product line are still under
construction, but we decided to announce our pages because most of the
resource materials are finished.

John J. Manura
Scientific Instrument Services
Supplies and Services for Mass Spectrometers, Gas Chromatographs and
related Scientific Instruments
SIS Home Page: http://www.sisweb.com
E-Mail: sismspec@aol.com
Phone: (908) 788-5550
FAX: (908) 806-6631

********************************************************************************Fro
m becknerc@kelso.pprd.abbott.com Mon Sep 18 15:28:42 1995
From: becknerc@kelso.pprd.abbott.com (Carl Beckner)
Subject: Re: Looking for Finnigan MAT on the net
Date: 18 Sep 1995 14:26:30 -0500
Organization: Abbott Laboratories

In article <43jqd6$g52@acmex.gatech.edu>,
Dr. Gavin E. Black <geblack@cbdcom.apgea.army.mil> wrote:
>I've done the Infoseeking, the crawling, and even the begging (at K.Murray's
>Web page), but I STILL have not found a net site for Finnigan MAT. Anyone
>have any suggestions?
>
>Gavin E. Black, Ph.D.
>U.S. Army - ERDEC
>Aberdeen Proving Ground, MD 21010-5423
>
>

Finnigan does not have a WWW or ftp site if that is what you are
looking for. However, many of the software developers do have
internet e-mail addresses and do read these news groups.

Carl

********************************************************************************Fro
m news@sciex.com Mon Sep 18 17:56:22 1995
From: greg@sciex.com (Greg King)
Subject: Re: Searching for Sciex
Date: Mon, 18 Sep 1995 17:55:27 -0400
Organization: SCIEX

In article <43jqe7$ga1@acmex.gatech.edu>, knaack@wsu.edu (Charles Knaack) wrote:

> Pardon the bandwidth, but I'm looking for somebody at Sciex or Perkin
> Elmer that I can ask some questions about an ELAN 250 ICP/MS.

I write software for the organic side of the company but I'll see if I
can pass your request along to the appropriate person.

Greg

--
Greg King
SCIEX
71 Four Valley Drive
Concord, Ontario, Canada
(905) 660-9006 ext 201
greg@sciex.com

********************************************************************************Fro
m news@hustle.rahul.net Mon Sep 18 22:05:28 1995
From: Jim Shofstahl <jhs@rahul.net>
Subject: Finnigan MAT on the Internet
Date: 19 Sep 1995 02:05:09 GMT
Organization: a2i network

Dr. Gavin E. Black asked about Finnigan MAT's net presence.

For the past couple of years Finnigan has been using e-mail through a UUCP
connection. Well that connection is in the process of being upgraded. Within
the near future, Finnigan will have access to the Internet and will offer more
services, such as an ftp site and Web page. The exact content of the Web is
still being discussed as is the extent of ftp abilities presented to customers.

With ICIS 8.2, a new program has been added that will allow customers to e-mail
SPR's (bugs) related to ICIS directly to Finnigan in San Jose. This program
works on both ULTRIX and Digital UNIX (formal DEC OSF/1). We expect to release
ICIS 8.2, ICL 8.3 for XSQ-7000's and ICL 7.5 for XSQ700's during the next few
weeks.
Jim Shofstahl,
Technical Lead on ICIS
jhs@finnigan.com

********************************************************************************Fro
m db32@prism.gatech.edu Tue Sep 19 09:07:11 1995
Subject: GC/MS Problem
Date: 19 Sep 1995 08:28:12 -0400
Organization: America Online, Inc. (1-800-827-6364)

Has anyone experienced a problem with analyzing water samples (via EPA
Method 624) preserved with sodium thiosulfate on a purge and trap GC/MS
system? We have an HP5890 Series II GC with an HP5972A MSD. It is
connected to a Tekmar 3000 purge and trap concentrator with a VOCARB 3000
trap. The column is a J & W DB624 (0.180 mm id) directly connected to the
MSD. The GC inlet is operated in split mode. The problems we encountered
are:

1. Large SO2 peaks early in the total ion chomatogram which swamped
(coeluted) with the EPA 624 gases, thus prohibiting their quantification.

2. Since we stopped using the sodium thiosulfate, the baseline stability


early in the total ion chromatogram (1st 3 minutes) has been bad.
Recovery of the EPA 624 gaseous analytes has also been poor since that
single lot of Na2SO3 samples was analyzed. A column change, trap change,
and inlet liner change have not corrected the problem. The mass spectrum
of the baseline early in the TIC is filled with fragment ions of many
m/z's, with m/z 94 being the most abundant.

Thanks
Mark Hannay
------- end of forwarded message -------

********************************************************************************Fro
m news@news.cs.brandeis.edu Tue Sep 19 09:39:38 1995
From: tmiller@rose.brandeis.edu (Todd M. Miller)
Subject: Re: Periodic table
Date: 19 Sep 1995 13:38:51 GMT
Organization: Brandeis University

howard@ch9000.chem.ncsu.edu (Howard Sanford) writes:

>In article <439e8g$o7u@acmex.gatech.edu>, cebaker@iastate.edu (Charles E


>Baker) wrote:

>> I am looking for a periodic table of the most abundent isotopes for our mass
>> spec lab. My contact with Kratos proved unsuccessful. If anyone knows
>> where I may find one please let me know.
>>

There is a large wall chart which was called the "Chart of the Nuclides"
which had on it "Knolls Atomic Power Lab operated by General Electric
Co." and "Naval Reactors, U.S. Department of Energy." Ours was
published in nineteen seventy seven.
********************************************************************************Fro
m ui22273@sunmail.lrz-muenchen.de Tue Sep 19 11:27:08 1995
From: ui22273@sunmail.lrz-muenchen.de
Subject: Re: New mass spectrometry books?
Date: Tue, 19 Sep 1995 17:26:43 +0200 (MET DST)

Sorry, but at the moment my newsreader does not allow me to edit the text
(?), he just posts it right away. So if you please just post the
following for me (thanks):

I am looking for new books about mass spectrometry, especially about


the interpretation of spectra from organic compounds. I already got
Chapmans Practical Organic Mass Spectrometry for instrumental advice.
Any recommondations?

--
Werner Spahl (ui22273@sun1.lrz-muenchen.de)
"The meaning of my life is to make me crazy!"

********************************************************************************Fro
m news@emory.edu Tue Sep 19 12:33:54 1995
From: "K. Murray" <kmurray@emory.edu>
Subject: Re: Periodic table
Date: 19 Sep 1995 16:32:46 GMT
Organization: Emory University

tmiller@rose.brandeis.edu (Todd M. Miller) wrote:


>There is a large wall chart which was called the "Chart of the Nuclides"
>which had on it "Knolls Atomic Power Lab operated by General Electric
>Co." and "Naval Reactors, U.S. Department of Energy."

There's a clickable map table of the nuclides at


http://www.dne.bnl.gov/CoN/index.html

----------

Kermit K. Murray
mailto:kmurray@emory.edu
http://tswww.cc.emory.edu/~kmurray/

********************************************************************************Fro
m root@newsbf02.news.aol.com Wed Sep 20 05:26:47 1995
From: sismspec@aol.com (Sismspec)
Subject: Re: New mass spectrometry books?
Date: 19 Sep 1995 13:35:25 -0400
Organization: America Online, Inc. (1-800-827-6364)

The test entitled "Organic Structure from Spectra" by S. Sternhell and


J.R. Kalman published by Wiley is available from Scientific Instrument
Services, (No. 1-90644-1). This book is a compilation of problems for the
study of organic structures from spectra and is class room tested by the
auathors. Contains 115 problems and basic materials needed for
interpretation of spectra.
John J. Manura
Scientific Instrument Services
Supplies and Services for Mass Spectrometers, Gas Chromatographs and
related Scientific Instruments
SIS Home Page: http://www.sisweb.com
E-Mail: sismspec@aol.com
Phone: (908) 788-5550
FAX: (908) 806-6631

********************************************************************************Fro
m db32@prism.gatech.edu Wed Sep 20 09:26:25 1995
Subject: Searching: HP 9825A-Comp. for MASS-SPECTROMETER
Date: 20 Sep 1995 08:48:56 GMT
Organization: University Frankfurt/M

I am urgently searching for a replacement HP-9825A Computer.


The computer is connected to an old Hewlett-Packard Mass Spectrometer,
wich is still in good working condition, but the computer is not.
Can anybody sell me a replacement one?

A.Dietrich@em.uni-frankfurt.de

********************************************************************************Fro
m news@ftp.univie.ac.at Thu Sep 21 05:43:46 1995
From: folabm@@ftp.univie.ac.at
Subject: Helicobacter Pylori - Breathtest using 13C-Urea
Date: 21 Sep 1995 09:43:34 GMT
Organization: Vienna University, Austria

Our laboratory is trying to establish a breathtest for a non-invasive


assessment of Helicobacter pylori colonisation of the gastric mucosa.

We use a delta-S by Finigan MAT for determination of the Isotope-ratio.

Our current problem is where to get a certificated 13C-Urea from, which


can be used for drugs application on human beings.

Anyone on this group who has expierinece with this application?

If you care please drop me a note, Thank You!

Fritz Tichy

AKH-Vienna, Surgical Dept., Research labs.

********************************************************************************Fro
m news@nntp.ucs.ubc.ca Thu Sep 21 15:59:02 1995
From: blades@chem.ubc.ca (Mike Blades)
Subject: 1995 FACSS Conference Program
Date: Thu, 21 Sep 1995 12:59:33 +1000
Organization: UBC
The program is on the Web at:

http://a103.chem.ubc.ca/FACSS_PROGRAM.html

Mike Blades

********************************************************************************Fro
m O_DavidS@msn.com Thu Sep 21 23:02:36 1995
Date: Fri, 22 Sep 95 03:01:53 UT
From: "O. David Sparkman" <O_DavidS@msn.com>
Subject: RE: GC/MS Problem

Try using the direct split interface. HP and Varian both have App notes on
this

Regards;
O. David Sparkman
----------
********************************************************************************Fro
m:

Has anyone
experienced a problem with analyzing water samples (via EPA
Method 624)
preserved with sodium thiosulfate on a purge and trap GC/MS
system? We have
an HP5890 Series II GC with an HP5972A MSD. It is
connected to a Tekmar
3000 purge and trap concentrator with a VOCARB 3000
trap. The column is a J
& W DB624 (0.180 mm id) directly connected to the
MSD. The GC inlet is
operated in split mode. The problems we encountered
are:

1. Large SO2
peaks early in the total ion chomatogram which swamped
(coeluted) with the
EPA 624 gases, thus prohibiting their quantification.

2. Since we stopped
using the sodium thiosulfate, the baseline stability
early in the total ion
chromatogram (1st 3 minutes) has been bad.
Recovery of the EPA 624 gaseous
analytes has also been poor since that
single lot of Na2SO3 samples was
analyzed. A column change, trap change,
and inlet liner change have not
corrected the problem. The mass spectrum
of the baseline early in the TIC
is filled with fragment ions of many
m/z's, with m/z 94 being the most
abundant.

Thanks
Mark Hannay
********************************************************************************Fro
m news@mailbox.uq.oz.au Thu Sep 21 23:28:55 1995
From: Masa Takahashi <masa@mailbox.uq.oz.au>
Subject: (no subject)
Date: 22 Sep 1995 03:28:26 GMT
Organization: University of Queensland

I am just getting into the game of TOF mass spectrometry, and am wondering if there
is
any software out there available for fitting curves to peaks - including partially
overlapping peaks - from mass spectra. If anyone can help, please email me at
russ@sun.mech.uq.oz.au

Thanks, Russell Boyce

********************************************************************************Fro
m O_DavidS@msn.com Thu Sep 21 23:02:36 1995
Date: Fri, 22 Sep 95 03:01:53 UT
From: "O. David Sparkman" <O_DavidS@msn.com>
Subject: RE: GC/MS Problem

Try using the direct split interface. HP and Varian both have App notes on
this

Regards;
O. David Sparkman
----------

:Has anyone
:experienced a problem with analyzing water samples (via EPA
:Method 624)
:preserved with sodium thiosulfate on a purge and trap GC/MS
:system? We have
:an HP5890 Series II GC with an HP5972A MSD. It is
:connected to a Tekmar
:3000 purge and trap concentrator with a VOCARB 3000
:trap. The column is a J
:& W DB624 (0.180 mm id) directly connected to the
:MSD. The GC inlet is
:operated in split mode. The problems we encountered
:are:
:
:1. Large SO2
:peaks early in the total ion chomatogram which swamped
:(coeluted) with the
:EPA 624 gases, thus prohibiting their quantification.
:
:2. Since we stopped
:using the sodium thiosulfate, the baseline stability
:early in the total ion
:chromatogram (1st 3 minutes) has been bad.
:Recovery of the EPA 624 gaseous
:analytes has also been poor since that
:single lot of Na2SO3 samples was
:analyzed. A column change, trap change,
:and inlet liner change have not
:corrected the problem. The mass spectrum
:of the baseline early in the TIC
:is filled with fragment ions of many
:m/z's, with m/z 94 being the most
:abundant.

:Thanks
:Mark Hannay

********************************************************************************Fro
m news@usenet.ucs.indiana.edu Fri Sep 22 13:39:18 1995
From: "Margaret P. Ricci" <isotopes@indiana.edu>
Subject: Re: Looking for Finnigan MAT on the net
Date: 22 Sep 1995 17:37:05 GMT
Organization: Indiana University, Bloomington

While it is true that Finnigan MAT has no official net presence yet,
there is a Web page for users of online isotope ratio monitoring systems.
The URL is
http://silver.ucs.indiana.edu/~isotopes/home.html

I am the keeper of the page and also one of the software developers.

Margaret P. Ricci
isotopes@indiana.edu

********************************************************************************Fro
m netnews@ix.netcom.com Sat Sep 23 11:57:57 1995
From: teknvent@ix.netcom.com (Phil Berger )
Subject: New Teknivent Home Page
Date: 23 Sep 1995 15:57:40 GMT
Organization: Netcom

Teknivent is pleased to announce it new WWW Home Page at:

http://www.teknivent.com/teknivent

Visit us often for the latest information on MS data systems and


information products for commercial, environmental and experimental
research mass spectrometers and GC/LC-MS instruments and for references
to other interesting sites related to MS.
********************************************************************************Fro
m news@newsie.wis.com Sat Sep 23 03:34:32 1995
From: Politics@usa.com
Subject: Proposed State & Federal Regulations for the INTERNET!
Date: 23 Sep 1995 07:32:22 GMT
Organization: Wisconsin Internet Services

Originator: glasrud@squeaky.free.org

My name is Scott Glasrud, and I am running for the New Mexico State Senate
during the 1996 elections. One of the reasons I have chosen to run is to combat
the
proposed state and federal regulations of the Internet. As you know, the
Internet
was never designed to be regulated! It was designed to allow communications in
the event of anuclear war or a major catastrophe. I OPPOSE REGULATION, and if
elected
will fight to preserve your constitutional rights. HOWEVER, I NEED YOUR HELP!

I am asking each person who reeives this message to send $5.00 to the
Scott Glasrud Campaign Committee. If we pull together, we CAN protect our first
amendment rights! HELP ME show the politicians the POWER behind this
important NETWORK. Please send contributions to:

The Scott Glasrud Campaign Committee


11024 Montgomery Blvd. NE, Suite 179
Albuquerque, New Mexico 87111

Thank you!

********************************************************************************Fro
m news@usenet.ucs.indiana.edu Tue Sep 26 10:10:39 1995
From: wbrubake@ezinfo.ucs.indiana.edu (William Wayne Brubaker)
Subject: Gold capillaries
Date: 26 Sep 1995 14:09:25 GMT
Organization: Indiana University, Bloomington

Our laboratory is interested in using an extremely inert capillary


coupled to mass spectrometer. Does anyone have any experience with gold
capillaries, and if so, how can we obtain one?

********************************************************************************Fro
m news@stc06.ctd.ornl.gov Tue Sep 26 19:10:15 1995
From: "Gary J. Van Berkel" <vanberkelgj@ornl.gov>
Subject: Re: Gold capillaries
Date: 26 Sep 1995 22:59:07 GMT
Organization: Lockheed Martin Energy Systems

You can obtain gold capillaries from

Goodfellow Corp.
800 Lanccaster Avenue
Berwyn, PA 19312-1780
phone: 1-800-821-2870
fax: 1-800-283-2020

Gold is inert to electrochemical oxidation if that's what you're after.


A possible better practical choice is platinum. Gold is so soft that the
capillaries are very easily damaged. Pure platinum is more robust (and
cheaper!), but it also must be handled with care relative to stainless
steel capillaries of the same dimensions. Goodfellow also supplies
these.

Gary J. Van Berkel


Chemical and Analytical Sciences Div.
Oak Ridge National Lab

********************************************************************************Fro
m news@sonnet.com Wed Sep 27 01:20:06 1995
From: Leland Palmer <chicasaw@moa.com>
Subject: Re: RE: GC/MS Problem
Date: 27 Sep 1995 05:20:38 GMT
Organization: SONNET Networking - Modesto

I don't know about MS,but running volatiles on a GC with a Hall


detector and a PID,using a Tekmar ALS 2000 and Vocarb 3000 trap,I found
that the response was poor for selected peaks early in the chromatogram
(particularly benzene) until I increased the dry purge time to 8 minutes
or so. The carbon based traps apparently need a longer dry purge
time,possibly something to do with water adsorbtion on the trap. This
does seem anti-intuitive (using a long dry purge with volatiles seems
risky),but at least with our system,it seemed to work,and did not
decrease the response of the later eluting peaks,with the Vocarb 3000.
Good Luck
Leland Palmer

********************************************************************************Fro
m news@news.cerf.net Thu Sep 28 04:47:28 1995
From: Nahum <oksi@cerfnet.com>
Subject: (no subject)
Date: 28 Sep 1995 08:46:09 GMT
Organization: Opto-Knowledge Systems, Inc.

TechExpo at URL

http://www.techexpo.com/

has just posted the first entries in its Technology Information Center.
These include a comprehensive compilation of SI Units conversion factors.
The table of conversion factors is designed to be downloaded and easily
imported into a spread-sheet as an ascii file. Tabs are included for
separation between values and labels.
Comments, corrections, as well as suggestions for other data lists would
be appreciated.

I apologize for the multiple posting to many of the sci.* newsgroups. I


though many would be interested.

Regards,

Nahum Gat, Ph.D.


oksi@cerfnet.com
or
nahum@techexpo.com

********************************************************************************Fro
m sam!news@uunet.uu.net Fri Sep 29 11:27:41 1995
From: rleavitt@on.novamann.ca (Randy Leavitt)
Subject: Finnigan GCQ GC/MS Info
Date: Fri, 29 Sep 95 11:32:37 PST
Organization: GfWare

We have recently committed a purchase order for two (2) Finnigan GCQ
EI/CI gas chrmoatograph/mass spectrometers with the GCQ Tandem MS/MS
upgrade. Our application is in the area of forensic doping control in
the race horse. Colleagues in England and France have had good
experience with this equipment in the same application. However, we hear
reports that all is not well in other applications. Has anyone in the
newsgroup had experience with this relatively new system? We have become
a little concerned. Any input would be appreciated.

Thanx.

********************************************************************************Fro
m news@dub-news-svc-2.compuserve.com Fri Sep 29 15:17:35 1995
From: <75530.3472@compuserve.com>
Subject: MS Data System
Date: 29 Sep 1995 19:16:00 GMT
Organization: CompuServe Incorporated

"Hener, Dr. Uwe" <Hener@em.uni-frankfurt.de> writes:


Contact Gunter Stockinger at ChroMasoft. He is selling a SysNet data system
that will work with this MS. Tell him David Sparkman gave you his number.
His number in Germany is 63-53-36-39.

Regards;
David Sparkman

********************************************************************************Fro
m news@dub-news-svc-2.compuserve.com Fri Sep 29 16:33:03 1995
From: Ludwig Gruber <100111.1734@compuserve.com>
Subject: Re: Finnigan MAT on the Internet
Date: 29 Sep 1995 20:32:12 GMT
Organization: UP GbR
Jim Shofstahl <jhs@rahul.net> wrote:
>Dr. Gavin E. Black asked about Finnigan MAT's net presence.
>
>With ICIS 8.2, a new program has been added that will allow customers to e-mail
>SPR's (bugs) related to ICIS directly to Finnigan in San Jose. This program
>works on both ULTRIX and Digital UNIX (formal DEC OSF/1). We expect to release
>ICIS 8.2, ICL 8.3 for XSQ-7000's and ICL 7.5 for XSQ700's during the next few
>weeks.
>

Means this that this service is also accessible for users of the high-res
instruments

or is your your facility in Bremen not involved ?

Regards

Lou Gruber

Reply to gruber@ilv.fhg.de

********************************************************************************Fro
m news@news-2.csn.net Sat Sep 30 13:53:10 1995
From: rbihler@csn.net (Ron Bihler)
Subject: MS Sample Prep Glassware coated
Date: Sat, 30 Sep 1995 11:07:18
Organization: SuperNet Inc. (303)-296-8202 Denver Colorado

I am posting this message in the hope of getting some feed back for a new
product I am working on.

I currently manufactor ICP prep and handling glassware including ICP


torches, spray chambers bonnets etc. I am currently working on applying a
coating to the inside of the sample prep and ICP Nebulizing/delivery glassware
used in standard ICP. This would include most spray chambers for TJA, PE,
Sciex, ARL and more. This coating will make the glassware more resistant to
HF and other harsh solvents uses, plus should eniminate the Boron and Silica
backrounds often found.

I am working with one of my better customers on this process, but was


interested to know if there is a larger market.

Any replies would be appreacted.

Ron Bihler
Technical Glass, Inc.
(303)367-8619

********************************************************************************
******************************************************************************
From: "Harrelson Davis" <HARRELDA@dcsmserver.med.sc.edu>
Organization: School of Medicine
Date: Mon, 2 Oct 1995 16:07:50 EDT
Subject: GCQ
To whom it may concern:

Our lab is also purchasing a Finnegan GCQ tandem. Our


application is the trace analysis of the amino sugar muramic acid in
complex matrices such as in dust and body fluids. We spent three
days in the Finnegan demo unit in Atlanta running our own samples
with our provided column. Currently, we are using a Carlo Erba GC
interfaced with a VG Quattro triplequad, so this was our basis of
comparison during our evaluation. In general (all this is EI
results), it seemed that the GCQ produced much cleaner spectra with a
lower background than the triplequad. This is essential in our
application since our samples are so complex. We were finding that
the spectra of dust samples were no different than that of standards.
Further, it seemed that we got better looking spectra in the higher
mass range in comparison with the triplequad. As far as ultimate
sensitivity, it did not appear to be very different.
The ion source can fit in the palm of your hand, and is very
simple to clean. It also has a vacuum interlock where you can remove
the ion volume and clean while the system is still under vacuum. We
were also impressed with the data system, which made the GCQ simple
to operate and acquire data.
I am eager to learn more of your application and your thoughts of
the GCQ. Please write back at the above address.

Davis Harrelson

******************************************************************************
From: Christophe Morin <Christophe.Morin@ujf-grenoble.fr>
Subject: High Resolution MS
Date: 3 Oct 1995 11:17:03 GMT
Organization: LEDSS

I am looking for high-resolution spectra to be recorded.

1) Is it mandatory to have a low resolution spectrum first


2) What will be the cost of a measurement ?

European contacts preferred as sending sammple overseas might be


more "delicate"

Thanks for your helps

******************************************************************************
From: "K. Murray" <kmurray@emory.edu>
Subject: STMS FTP Archive
Date: 3 Oct 1995 14:52:11 GMT
Organization: Emory University

An archive of the sci.techniques.mass-spec listserver posts is now


available by anonymous FTP. The FTP host name is kkm02.chem.emory.edu
and the directory is /pub/STMS/ for the STMS archive. Log on with the
user name anonymous and use your e-mail address as the password. The
FTP server has been up for a few weeks with no problems, but if it
breaks, e-mail me at kmurray@emory.edu.

The folders in the STMS directory have the names STMS[Year][Month]


denoting the year and month of the listserver mailing. Files are named
in the form STMS[Year][Month][Day]. For example, the listserver mailing
from June 16th of 1995 has the file name STMS950616.TXT and is in the
folder STMS9506.

If you have a WWW browser the URL for the archive is


ftp://kkm02.chem.emory.edu/pub/STMS/ for the FTP connection. This is
faster than the indexing CGI program that I have been using for
browsing. The files can also be searched at the
http://kkm02.chem.emory.edu/tr-www.cgi page. Some additional STMS
information is on the http://tswww.cc.emory.edu/~kmurray/stms.html
page.

The STMS listserver mailings are public and the archive of STMS*.TXT
files can be mirrored by anyone with FTP or WWW page space. The text
files are about 100 kB per month for just over 500 kB so far. The Apple
Macintosh search server is available at
http://www.monash.edu.au/informatics/tr-www.html and runs under the
MacHTTP/Webstar ( http://www.biap.com/ ) WWW server.

-----

Kermit K. Murray
mailto:kmurray@emory.edu
http://tswww.cc.emory.edu/~kmurray/

******************************************************************************
From: Jim.Carter@bristol.ac.uk (JF. Carter)
Subject: anyone recognise this spectrum?
Date: Wed, 4 Oct 1995 09:31:15 +0100 (BST)

I've recently analysed (by GCMS) a sample described as "unknown contaminant"


and despite my best efforts it remains unknown, to me at least.
The major components of the sample are three closely eluting compounds with
virtually identical EI spectra. All three spectra contain m/z 55, 113 and no
other ions above 5%.
CI spectra (ammonia) are, again, near identical and show a molecular weight
of 300 Dalton and large fragment ions at m/z 61, 77 and 91.

Needless to say the spectra do not library serach. Has anyone out there
seen and/or identified these compounds.

Thanks,

Jim Carter
Environmental and Analytical Section
School of Chemistry
University of Bristol

******************************************************************************
From: Beat Aebi <baebi@irm.unibe.ch>
Subject: Finnigan SSQ7000 Ion Source
Date: 4 Oct 1995 13:33:07 GMT
Organization: University of Berne

About a year ago, we got our Finnigan-MAT SSQ7000 mass spectrometer.

Besides usual installation problems, we have used the original SSQ7000


ion source only for a few days. We have now for almost a year used a
SSQ700 ion source.

Has anybody recently changed from the old 700 to the 7000 system or is
otherwise capable to make a comparision of the two instruments / ion
sources?

Any comment would be very appreciated.

Thanks much, best wishes.

******************************************************************************
Date: Thu, 5 Oct 95 16:24:37 -0400
From: callahan@nrlfs1.nrl.navy.mil (John Callahan)
Subject: October 16, 1995 MSDG meeting

THE MASS SPECTROMETRY DISCUSSION GROUP OF THE GREATER WASHINGTON/BALTIMORE AREA

Next Meeting:
Monday, October 16, 1995

Location:
Hewlett-Packard Divisional Office, Park Plaza Building, 2101 Gaither Rd,
Rockville, MD

Speaker:
Dr. Vicki Wysocki, Department of Chemistry, Virginia Commonwealth University

Topic:
Recent Progress in Surface-Induced Dissociation: Fundamental Studies and
Applications to Peptide Fragmentation

Future MSDG Meetings:


November 13, 1995: Chrys Wesdemiotis, University of Akron.
Topic: The Study of Structures and Reactivities by Tandem Mass Spectrometry
Methods.
(This meeting will be held at Johns Hopkins Medical School in Baltimore.)

Our World Wide Web Home Page is located at


http://chem1.nrl.navy.mil/analytical/msdg
Contact John Callahan (202-767-0719, John.Callahan@nrl.navy.mil) if you have
questions.

eot

John H. Callahan
Code 6113/Chemistry Division
Naval Research Laboratory
Washington, D.C. 20375
202-767-0719
FAX 202-404-8119
John.Callahan@nrl.navy.mil

******************************************************************************
From: Kevin Hart <HartKJ@ornl.gov>
Subject: MSDG: ETMSDG Vendor's Night
Date: 5 Oct 1995 21:22:52 GMT
Organization: Oak Ridge National Laboratory

The East Tennessee Mass Spectrometry Group will be holding its annual
Vendor's Night on October 26 at the Riverwatch Restaurant in Oak Ridge,
TN. Members from Oak Ridge National Laboratory and other Lockheed
Martin Energy Systems facilites, U of Tennessee, TVA, Tennessee Eastman
and other East Tennessee companies are expected to attend. Vendor's
will include both instrument manufacturers and suppliers of components
and add-ons. The setting for this meeting promises to be quite
beautiful with the restaurant having a great view of the Clinch River
and near maximum fall color. The meeting will run 3-9pm with a free
continous buffet being served from 4-7pm for ETMSDG members (annual
membership - $5). Any vendors of mass spectrometry instrumentation or
related products and services who have not been contacted by ETMSDG but
wish to attend, please contact me ASAP. Corporate Membership also comes
with our mailing list and the publication of business cards for local
sales/technical reps in our newsletter (8-9/year).

Kevin J. Hart
Secretary, ETMSDG
HartKJ@ornl.gov

(615) 241-5187

ORNL
PO Box 2008, MS 6120
Oak Ridge, TN 37831

******************************************************************************
From: "Andrew N. Eaton" <ar30@dial.pipex.com>
Subject: Thermo Takeover of Fisons Instruments - latest statement
Date: 6 Oct 1995 08:11:33 GMT
Organization: UnipalmPIPEX server (post doesn't reflect views of UnipalmPIPEX)
There is a statement on the status of the takeover of Fisons
Instruments by Thermo in the "What's New" section of the VG
Organic web site. This statement has been authorised by Dr David
Richardson, Managing Director of Fisons Instruments

<A
HREF="http://www.vgorganic.co.uk/">http://www.vgorganic.co.uk/</A>

******************************************************************************
Date: Fri, 06 Oct 1995 11:00:05 +0000 (GMT)
From: koets@dutndo7.tn.tudelft.nl (Erico Koets)
Subject: 22" Magnet(1 Tesla) + supply available free of charge (Repost)
Organization: Delft Univ. of Technology

We have a 1 Tesla magnet with power supply and support structure


available
free of charge for any institute (manufacturers incl.) which will do
something useful with it. The taker has to arrange and pay for removal
and
transport.

The 6 ton magnet was built by Varian (modified version of NMR-magnet;


used
here for precision RF-mass spectrometry via cyclotron frequency). It has
22" diam. poles, ring shaped optically flat pole caps of 22" outer diam.
and 11" inner diam. and a 5" through hole on the axis perpendicular to
the
gap. At present the pole gap is 2.2"
Shim rings and current sheets were added to produce a 16" diam. toroidal
volume (>1" * >1") of high homogeneity (1 : >10^5).

The (commercial) power supply (0..160 A, 0..90 V), the (home built)
stabilization amplifiers and the motor-generator local power station
(35 kVA) with switch gear are also available.
This system ran at long term field stabilities of better than 1 : 10^7
and
short term stabilities of 1 : 10^11.

In principal each item is also available separately.

Please respond via e-mail only to koets@cpo.tn.tudelft.nl

E. Koets
Charged Particle Optics Group
Appl. Physics Dept.
Delft Univ. of Technology
the Netherlands

******************************************************************************
Date: 06 Oct 95 09:51:54 EDT
From: David Sparkman <75530.3472@compuserve.com>
Subject: Re: Anyone Reconize this spectrum

Jim;

Can you tell me more about the CI spectrum? Does it show a peak at 301 or 300?
Is there a M+NH3 peak? Where did this sample come from? Can you look at it by
IR? Is it there any chance that the three GC peaks are artifacts of an
injection problem? What is the solvent used to inject the sample into the GC?.
What are some of the low intensity peaks. Remember, amines give very low
intensity molecular ion peaks. Alcohols show no molecular ion peaks and small
M-18 peaks in some cases, and small M-46 peaks. What do the isotope peaks for
the large peaks in the EI spectra tell you. What does the isotope peak for
molecular ion peak in the CI spectrum tell you?

O. David Sparkman

******************************************************************************
Date: 06 Oct 95 09:51:56 EDT
From: David Sparkman <75530.3472@compuserve.com>
Subject: Re: GCQ

Did you test any other instruments. Since you have an EI application, I was
wondering if you looked at the Saturn, MSD (HP 5972) or the Fison's MD 800.

O. David Sparkman

******************************************************************************
From: ngurpra@ibm.net
Subject: What Ion Trap MS are you using?
Date: 6 Oct 1995 16:14:59 GMT
NNTP-Posting-Host: slip153-1.on.ca.ibm.net

We are interestred in purchasing an Ion trap in the furture. I would


like to get some information on the new GCQ by Finnigan Mat. I
would like to know what Ion trap MS units other people are using and what
problems to expect.

******************************************************************************
Date: Fri, 06 Oct 1995 11:16:02 -0800 (PST)
From: "Dr. David Lustig" <David.Lustig@SYNTEX.COM>
Subject: Serious Quantitation Bug in MassLynx

I have discovered an error in the Quantitation package in Fisons/VG MassLynx v


2.1.0 software (running on the Trio, Quatro, Platform, etc). It results in
very significant relative errors in the CALCULATED concentrations, and the %
DEVIATION calculations of some samples. These errors can be well in excess of
100%.

I have reported this bug to Fisons/VG and they have promised a fix in the form
of an "update disk". I have received my disk, but I don't know if they have
been sent to the general user base yet.

The Quantitation bug occurs when the DILUTION FACTOR is not equal to 1. The
DILUTION FACTOR is completely ignored in both the CALCULATED CONCENTRATION and
the % DEVIATION from the known concentration.

This error occurs for QC (quality control) samples and to a lesser extent for
ANALYTE samples. (In ANALYTE samples the CALCULATED CONCENTRATION is correct,
but the % DEVIATION is not, if one had entered a "known" concentration for some
reason). The error is reproducible 100% of the time when the above conditions
are met.

We found the error while trying to validate the software after upgrading to
version 2.1.0, so we did not have any actual results in error. However, I am
very concerned about users who have these erroneous results in reports they are
submitting to the FDA, EPA, etc.

We all know that the investigators of these agencies do in fact check


calculations and issue citations when the calculations are not correct.

All MassLynx 2.1.0 users should examine their quantitation results for these
errors and should install the Update disk when the receive it.

Please feel free to contact me for more information.

David Lustig
Roche Bioscience
3401 Hillview Avenue
Palo Alto, CA 94304
USA

david.lustig@syntex.com
415-855-5785

******************************************************************************
From: "Andrew N. Eaton" <ar30@dial.pipex.com>
Subject: Re: Serious Quantitation Bug in MassLynx
Date: 9 Oct 1995 16:34:08 GMT
Organization: UnipalmPIPEX server (post doesn't reflect views of UnipalmPIPEX)

Dr. David Lustig at Roche Bioscience (Palo Alto, CA) posted


information on 6th October 1995 regarding a non-conformance in the
quantitation module of MassLynx 2.1.0.

The problem occurs when the DILUTION FACTOR is not equal to 1. The
DILUTION FACTOR is ignored in both the calculated concentration
and the deviation from the known concentration.

We have supplied a fix to this problem to Dr. Lustig, however he


is concerned with the speed with which we disclose problems of
this nature to our customers, once they have been reported. To
this end, a more compete description of this fault along with a
down loadable software update has been made available on our WWW
site, the address for which is :
http://www.vgorganic.co.uk

We shall continue to make this type of information available


through internet in the future and believe that it will help to
improve the speed at which we can respond to these issues.

I would like to thank Dr. Lustig for bringing this matter to our
attention.

Please feel free to contact me if you wish to discuss this or any


other matter regarding MassLynx.

Jeremy Batt
VG Organic
Tudor Road
Altrincham
Cheshire
WA14 5RZ
England

Jeremy.Batt@instruments.fisons.co.uk
+44 161 929 9666

******************************************************************************
From: pesinc@pluto.njcc.com (PES Inc )
Subject: Simion 3D 6.0 Released by David Dahl of INEL
Date: 9 Oct 1995 21:31:05 GMT
Organization: New Jersey Computer Connection, Lawrenceville, NJ

David A. Dahl of Idaho National Engineering Laboratory


has just released Simion 3D 6.0 for PC

Simion 3D 6.0 is a completely new version of the Simion family,


not only because it has 3D simulation features that no previous Simion
versions have, but also because it has a brand new stand alone enhanced
graphics user interface. Users of Simion 3D 6.0 will no longer need to
buy any third party interface software (such as GCS GUI).

It can model complex problems using an ion optics workbench


that can hold up to 200 2D and/or 3D electrostatic/magnetic potential
arrays. Arrays can have up to 10,000,000 points. SIMION 3D's 32
bit virtual Graphics User Interface provides a highly interactive
advanced user environment. All potential arrays are visualized as
3D objects that the user can cut away to inspect ion trajectories
and potential energy surfaces. User programs have been greatly
extended in versatility and power. A new geometry file option
supports the definition of highly complex array geometry.
Extensive algorithm modifications have dramatically improved this
version's computational speed and accuracy.
Free Simion 3D 6.0 demo software can be obtained via
WWW or anonymous ftp from:

WWW: http://pluto.njcc.com/~pesinc/
Anonymous ftp: ftp.njcc.com/pub/pes/simion3d.exe

******************************************************************************
Date: Tue, 10 Oct 1995 08:17:43 -0400 (EDT)
From: "Dana DeJohn (313)996-7135" <dejohn@aa.wl.com>
Subject: Mich. Mass Spec. Disc.Grp/ANACHEM/SAS meeting

September 10, 1995

Dear Fellow Mass Spectrometrist:

The next meeting of the Michigan Mass Spectrometry Discussion Group will be
held in ***conjunction with the 1995 ANACHEM/SAS Symposium on Thursday
November 2 at the Armenian Community Center, Dearborn, MI.*** It is located
north of Ford Road and just to the west of the Southfield Expressway. The
address is 19310 Ford Road. The schedule includes:

Session I: Current Student Research 8:30 - 10:00 AM


Session II: Analytical Measurements of Vehicle Emissions 8:30 - 10:00 AM
Plenary Session: 8:30 - 10:00 AM
Plenary Lecture: "New Approaches to Speciation Studies at Ultra-Trace
Levels", Joseph Caruso, University of Cincinnati, 10:30 AM
Session III: Molecular Spectroscopy 1:00 - 3:00 PM
Session IV: Chromatography 1:00 - 3:00 PM
Session V: Posters 3:00 - 5:00 PM

A wine and cheese reception will be held in the Poster area during the
session. Registration is $30.00 for pre-registration ($15.00 student).
Registration at the door will be $5.00 higher. Mail checks made out to
ANACHEM to:
Dennis Schott
c/o Detroit Edison
6100 W. Warren
WSC-H-16
Detroit, MI 48210
or call 313-897-1328. Include name, affiliation, address, phone and
registration as regular or student.

Best Regards,

Dana DeJohn
Parke-Davis Pharmaceutical Research
2800 Plymouth Rd.
Ann Arbor, MI 48105
TEL: 313-996-7135
FAX: 313-998-2716
INTERNET: dejohn@aa.wl.com
******************************************************************************
From: J.Traeger@latrobe.edu.au (John Traeger)
Subject: ANZSMS WWW HomePage
Date: 9 Oct 1995 03:55:35 GMT
Organization: La Trobe University
NNTP-Posting-Host: 131.172.148.1
Xdisclaimer: No attempt was made to authenticate the sender's name.

The Australian and New Zealand Society for Mass Spectrometry now has a
World-Wide Web home page on the Internet. The address is
"http://www.latrobe.edu.au/ANZSMS/ANZSMS.html".

John Traeger
School of Chemistry
La Trobe University
Melbourne
Australia

******************************************************************************
From: gabarret@nickel.ucs.indiana.edu (gregory barrett-wilt)
Subject: Re: Anyone Reconize this spectrum
Date: 11 Oct 1995 13:05:58 GMT
Organization: Indiana University, Bloomington

In article <453e59$ju1@acmey.gatech.edu>,
David Sparkman <75530.3472@compuserve.com> wrote:
>Jim;
>
>Can you tell me more about the CI spectrum? Does it show a peak at 301 or
>300? Is there a M+NH3 peak? Where did this sample come from? Can you look
>at it by IR? Is it there any chance that the three GC peaks are artifacts
>of an injection problem? What is the solvent used to inject the sample
>into the GC?. What are some of the low intensity peaks. Remember, amines
>give very low intensity molecular ion peaks. Alcohols show no molecular
>ion peaks and small M-18 peaks in some cases, and small M-46 peaks. What
>do the isotope peaks for the large peaks in the EI spectra tell you. What
>does the isotope peak for molecular ion peak in the CI spectrum tell you?
>
>O. David Sparkman
>
>
>

These are excellent points to consider. Although difficult, it may be


more informative to try to recreate the spectra using ASCII "graphics"
in an article here so that we can get a better look at what you've got.
(as an example, something like:

|
| | |
| | | |
| | || |
| | | || |
|| || | || |
|| | || | || | |
----------------------------------------------
5 1 1 2
0 0 5 0
0 0 0

I know, a big pain. On the other hand, you could just scan a spectrum,
uuencode it and post it as a jpeg or gif. Then we could decode it and
view it. The only info I can give on the spectrum itself is that 77
could correspond to a phenyl group and 91 to a C7H7 tropylium ion. M/z
55 could be C3H3O (dehydration product of alpha hydroxy ketone?). I'm
not sure about the m/z 113. It would be very helpful to know where this
sample came from, and what solvent it is compatible with. Good luck!

-Greg Barrett-Wilt

******************************************************************************
From: cescript@mtu.edu (Charles Scripter)
Subject: Re: Anyone Reconize this spectrum
Date: 12 Oct 1995 17:26:52 -0400
Organization: Michigan Tech

On 11 Oct 1995 12:50:31 -0400, gregory barrett-wilt


(gabarret@nickel.ucs.indiana.edu) wrote:

> These are excellent points to consider. Although difficult, it may be


> more informative to try to recreate the spectra using ASCII "graphics"
> in an article here so that we can get a better look at what you've got.
> (as an example, something like:

> |
> | | |
> | | | |
> | | || |
> | | | || |
> || || | || |
> || | || | || | |
> ----------------------------------------------
> 5 1 1 2
> 0 0 5 0
> 0 0 0

Or you could feed it through GNUPLOT, using `set term dumb' and
`set output "spectra.txt" ' to get an ASCII graph.

--
Charles Scripter * cescript@phy.mtu.edu
Dept of Physics, Michigan Tech, Houghton, MI 49931

******************************************************************************
From: madi@biocell.fundp.ac.be (Marc DIEU)
Subject: Desalting primer before electrospray mass spectrometry
Date: 13 Oct 1995 11:29:55 GMT
Organization: FUNDP (Cellular Biochemistry)

Hello,
Is there someone who knows the best method for desalting primer before
electrospray MS. I tried microcon but the recovery was not good.
Thank you by advance

Marc DIEU
Laboratory of Cellular Biochemistry,
Facult#s Universitaires ND de la Paix,
61, rue de Bruxelles,
B-5000 Namur (Belgium).
Fax: ++/32/81/72.41.35.
Email: fredele@biocell.fundp.ac.be.

******************************************************************************

From: Kevin Hart <HartKJ@ornl.gov>


Subject: Re: MSDG: ETMSDG Vendor's Night
Date: 13 Oct 1995 21:34:01 GMT
Organization: Oak Ridge National Laboratory

NOTICE:

The previous notice of the ETMSDG Vendor's Night on October 26, 1995
should be disregarded as the restaurant we had scheduled went bankrupt!
No wonder the price they gave us looked so good. The Vendor's Night has
been postponed indefinitely. However, several of our Vendors have
suggested a "slow" period such as February for a new date. We'll post
revised information when we get it.

Kevin J. Hart
Secretary, ETMSDG

******************************************************************************
Date: Wed, 13 Sep 95 21:10:58 -0500
From: "John C. Huffman" <huffman@indiana.edu>
Organization: Indiana University Molecular Structure Center
Subject: Position Open

Indiana University Department of Chemistry has an opening for a Senior


Mass Spectroscopist. Details at:

http://www.iumsc.indiana.edu/chem/massopen.html

=============================================
John C. Huffman Senior Scientist
Indiana University Molecular Structure Center
huffman@indiana.edu
http://www.iumsc.indiana.edu
=============================================

******************************************************************************
From: "Michelle D. Beeson" <mbeeson@emory.edu>
Subject: Atlanta/Athens MSDG
Date: 16 Oct 1995 03:51:52 GMT
Organization: Emory University

The next meeting of the Atlanta/Athens Mass Spectrometry Discussion


Group will be 7:00PM Wednesday, November 8, 1995. The meeting will be at
Georgia Tech in room 228 of the Chemistry building.

The speaker for the evening will be Ben Freiser from Purdue University.
The title of his talk is "Having a Ball with Buckyball, Met-cars and
FTMS." This will be an interesting and exciting talk that everyone will
want to attend.

Anyone who would like to receive information about the AAMSDG meetings
via email should send a message to mbeeson@emory.edu.

Michelle D. Beeson
Microchemical Facility
Winship Cancer Center voice: (404) 778-4589
Emory University fax:
(404) 778-4281
Atlanta, GA 30033 email:
mbeeson@emory.edu
******************************************************************************
Date: Mon, 16 Oct 1995 16:28:38 +0100 (MET)
From: Paul Van Den Broeck <Paul.VanDenBroeck@rug.ac.be>
Subject: triglycerides in MS

Does annybody know a good article, book, or review on th following topic :


'Fragmentation pathways of triglycerides (triacylglycerols) in Mass
Spectroscopy' ?

******************************************************************************
From: "John C. Huffman" <huffman@indiana.edu>
Subject: (no subject)
Date: 16 Oct 1995 20:20:53 GMT
Organization: Ind. Univ. Molecular Structure Center

Indiana University Department of Chemistry has an opening for a


Senior Mass Spectroscopist. Details are available at the url:

http://www.iumsc.indiana.edu/chem/massopen.html

=============================================
John C. Huffman Senior Scientist
Indiana University Molecular Structure Center
huffman@indiana.edu
http://www.iumsc.indiana.edu
=============================================

******************************************************************************
From: A.TREUMANN@dundee.ac.uk (H.J. Treumann Biochemistry ext 4301)
Subject: Re: triglycerides in MS
Date: 17 Oct 1995 11:51:43 +0100
Organization: The University, Dundee, DD1 4HN, Scotland, UK.

Paul,

try Chapter 6 in the 'Handbook of Lipid Research' 7 (series editor:


Fred Snyder), 'Mass Spectrometry of Lipids' by Robert C. Murphy,
Plenum Press, New York 1993.

This chapter deals with the mass spectrometric analysis of Tri-,


Di- and Monoacylglycerols. I hope you will find there the information
you are looking for.

Good luck,
Achim Treumann

Paul Van Den Broeck (Paul.VanDenBroeck@rug.ac.be) wrote:


: Does annybody know a good article, book, or review on th following topic :
: 'Fragmentation pathways of triglycerides (triacylglycerols) in Mass
: Spectroscopy' ?

--
Achim Treumann tel. +44-1382-344301
Carbohydrate Research Centre fax +44-1382-322583
Department of Biochemistry
Dundee DD1 4HN, Scotland, UK email a.treumann@dundee.ac.uk

******************************************************************************
From: db32@prism.gatech.edu (David E. Bostwick)
Subject: ASMS Web page
Date: 17 Oct 1995 10:32:10 -0400
Organization: Georgia Institute of Technology

Those of you who get the ASMS newsletter have already seen this, but there
are several readers of the group who aren't in ASMS.

The American Society for Mass Spectrometry now has a Web home page. The
address is

http://www.newmexico.com/~asms
--
David E. Bostwick
Georgia Institute of Technology, Atlanta, GA, 30332
david.bostwick@chemistry.gatech.edu

******************************************************************************
From: phkrh@zeus.bris.ac.uk (K R. Hallam)
Subject: VG Micromass Q4
Organization: University of Bristol, England
Date: Tue, 17 Oct 1995 15:45:14 GMT

Dear All,

Does anyone have a VG Micromass Q4 controller and lead (early style, three M3
screws hold the lead in place on the head unit rather than a threaded knurled
ring) for sale/rent/giving away? We have a head unit, but if you want to get
rid of one of those as well, then the more the merrier.

Thankyou,

--
Dr. Keith R. Hallam University of Bristol, Interface Analysis Centre, Oldbury
House, 121, St. Michael's Hill, Bristol, BS2 8BS, England
Telephone: + 44 (0)117 925 5666 | E-mail: k.r.hallam@bristol.ac.uk
Facsimile: + 44 (0)117 925 5646 | URL: http://zeus.bris.ac.uk/~phkrh/
******************************************************************************
From: hongli@scs.unr.edu (Hong Li)
Subject: Roommate LC/MS Symposium
Date: 17 Oct 1995 21:14:23 GMT
Organization: UCCSN System Computing Services

--

I am looking for someone (M/F) to share a hotel room in the Crystal Sands
Resort, Hilton Head Island, SC during the 12th Montreux LC/MS Symposium
(Nov 1 thru 3). If interested, please Email me @ hongli@scs.unr.edu or
call(702) 784-4126 ASAP.

Me: Hong Li, 25 yr old M, 4th yr biochem grad student in U of Nevada, Reno.

******************************************************************************
From: biohelp@net.bio.net (BIOSCI Administrator)
Subject: VBC'96 - Call for Papers
Date: 17 Oct 1995 18:37:49 -0700
Organization: University Hospital Eppendorf / Hamburg

--------------------------------------------------------------------

Fourth International Conference on

VISUALIZATION IN BIOMEDICAL COMPUTING

Sept. 22 - Sept. 25, 1996

Hamburg, Germany

--------------------------------------------------------------------

CALL FOR PAPERS

Scope

Following Georgia Tech, the University of North Carolina, and the Mayo
Institutions, the University of Hamburg will host the 4th conference on
Visualization in Biomedical Computing (VBC'96). Its goal is to enhance and
promote the science of computer based visualization of biomedical
information, especially about the various aspects of the human body. An
interdisciplinary, international group of scientists, engineers, and
clinicians will present and discuss the state of the art concerning
algorithms, the rapidly increasing number of applications, and the
practical problems of system design.

------------------------------------------------------------------------

Topics

Theory and Algorithms Applications Systems


* Models of * Diagnostics with * Hardware/Software
Visualization MRI, CT, PET/SPECT, Tools
* Rendering Algorithms MEG Ultrasound etc. * Interactive
* Image Analysis * Microscopy Imaging Workstations and
* Multi-Modality Image * Surgical and Networks
Registration and Stereotactic * Virtual Reality User
Fusion Planning Interfaces
* Shape Description * Surgery Simulation * Novel Image
and Characterization * Image Guided Acquisition Equipment
* Spatial Knowledge Surgery * Special Processors
Modeling * Endoscopy
* Artificial Simulation
Intelligence in * Radiation
Visualization Treatment Planning
* Visual Perception * Biomechanics and
and Communication Orthopedics
* Virtual / Augmented * Dentistry and
Reality Paradigms Orthodontics
* Prothetics
Development
* Modeling the human
body (with emphasis
on the brain)
* Anatomy Atlases
(with emphasis on
VISIBLE HUMAN)
* Medical and
Biological
Education

------------------------------------------------------------------------

Format

According to the interdisciplinary nature of the conference, it has a


single track of sessions with 25 minute papers. Posters and
demonstrations will be located next to the auditorium. Tutorials will be
held the day before the official opening (Sept. 22) as in the previous
meetings.
------------------------------------------------------------------------

Submission

Papers
Authors are invited to submit five copies of an extended abstract
not shorter than two pages which may include figures. Submission of
full papers is encouraged. The submission must begin with a 50 word
statement about the major results of the work.
Posters
Authors are invited to submit posters under the conditions applying
for papers. They will be included in the proceedings as short papers.
Demonstrations
There will be the possibility of hands-on demonstrations. Please
submit an outline (not exceeding 2000 words), including the hardware
requirements.
Tutorials
Proposals for half-day (four hour) tutorials are invited to any aspect
of visualization in biomedical computing as described in the topics
section. Proposals should include an outline accompanied by a
curriculum vitae.

VBC`94 offered:
3D Imaging in Biomedical Computing, Volume Visualization,
Visualization in the Neurosurgical OR, Modern 3D Microscopy and
Visualization, Multiscale Geometric Image Analysis

------------------------------------------------------------------------

! DEADLINES !
! !
! Paper/Poster Submission : February 1, 1996 !
! !
! Tutorial Submission : February 1, 1996 !
! !
! Notification of Acceptance : April 1, 1996 !
! !
! Full papers : June 15, 1996 !
! !
! Demonstration Proposals : June 1, 1996 !

------------------------------------------------------------------------

Proceedings

Proceedings will be published in Lecture Notes in Computer Science,


Springer Verlag Heidelberg-New York. They will be available at the time
of the conference.
------------------------------------------------------------------------

Visits

Visits to laboratories in Hamburg will be arranged for the day after the
conference (IMDM, Philips Research, Dept. of Computer Science)
------------------------------------------------------------------------

Location

University of Hamburg, main building, in walking distance to the city which


surrounds the beautiful Alster lake.
------------------------------------------------------------------------

Previous Conferences

1990
Georgia Institute of Technology, Atlanta, GA
Proceedings: First Conference on Visualization in Biomedical Computing,
IEEE Computer Society Press, 1990
1992
University of North Carolina, Chapel Hill, NC
Proceedings: Visualization in Biomedical Computing II,
Proc. SPIE 1808, 1992

1994
Mayo Foundation, Rochester, MN
Proceedings: Visualization in Biomedical Computing 1994,
Proc. SPIE 2359, 1994

------------------------------------------------------------------------
Conference Committee

Chairman

Karl Heinz Hoehne, University of Hamburg

Program Committee

Ron Kikinis (Chair), Harvard Medical School

Nicholas Ayache, INRIA, Sophia-Antipolis


Jean Louis Coatrieux, University of Rennes
Takeyoshi Dohi, University of Tokyo
James Duncan, Yale University
Alan C. Evans, Montreal Neurological Inst.
Norberto Ezquerra, Georgia Tech, Atlanta
Henry Fuchs, UNC, Chapel Hill
Guido Gerig, ETH Zuerich
Eric Grimson, MIT, Cambridge
David Hawkes, Guy's Hospital London
Arie Kaufman, State University of New York
Andres Kriete, University of Giessen
Hal Kundel, University of Pennsylvania
Heinz Lemke, Free University of Berlin
David Levin, University of Chicago
Heinrich Mueller, University of Dortmund
Chuck Pelizzari, University of Chicago
Stephen Pizer, UNC, Chapel Hill
Richard Robb, Mayo Foundation / Clinic
Siegfried Stiehl, University of Hamburg
Paul Suetens, University of Leuven
Andrew Todd-Pokropek, University College London
Jun-Ichiro Toriwaki, Nagoya University
Michael Vannier, Washington University, St Louis
Max Viergever, Utrecht University

Coordinators

Bernhard Pflesser, Thomas Schiemann, Rainer Schubert, IMDM


------------------------------------------------------------------------

Supporting Organisations

University of Hamburg
The Institute of Electrical and Electronics Engineers (IEEE)
German Society of Computer Science (GI)
------------------------------------------------------------------------

Submissions and Inquiries to

Institute of Mathematics and Computer Science in Medicine (IMDM)


Department of Computer Science in Medicine
Pav. 70
University Hospital Eppendorf
Martinistrasse 52
D-20246 Hamburg
Germany
Phone : +49-40-4717 3652

Fax : +49-40-4717 4882

E-mail: vbc96@uke.uni-hamburg.de

For latest news consult the following www page:

========================================
http://www.uni-hamburg.de/~medizin/vbc96
========================================

---------------------------------------------------------------------------

******************************************************************************
From: "Andrew N. Eaton" <ar30@dial.pipex.com>
Subject: Re: Desalting primer before electrospray mass spectrometry
Date: 18 Oct 1995 08:07:50 GMT
Organization: UnipalmPIPEX server (post doesn't reflect views of UnipalmPIPEX)

Oligonucleotides are inherently difficult to analyse by electrospray due


to the seemingly high level of binding of sodium and potassium to the
oligonucleotide backbone.. We have had some success using Micron filters
but the extraction of the oligonucleotide is difficult to reproduce on a
routine basis. Our biggest success has been to use a capillary column
containing a PorosTM packing material (Columns available in Europe through
LC Packings). The samples are injected onto the column using a mobile
phase of 100% water at 30ul/min. After 5 minutes the olignucleotide having
been concentrated on the head of the column and washed of salts is eluted
using a 90% acetonitrile 10% water phase. As the compound elutes the
mobile phase is reduced to 4ul/min to allow several MCA scans to be
acquired. We currently have customers at Glaxo who have completely
automated this process using Masslynx software to control an HP1090 LC
pump. Although the oligonucleotides are not completely salt free this
approach is to date the most successful.

John Rontree. Technical Support, VG ORGANIC


E-Mail: John.Rontree@instruments.fisons.co.uk
Tel: ++44 (0)161 929 9666, Fax: ++44 (0)161 941 5242
Tudor Road, Altrincham, Cheshire WA14 5RZ, United Kingdom

******************************************************************************
From: Ian Michael <ian@impub.demon.co.uk>
Subject: European Mass Spectrometry Web Site
Date: Wed, 18 Oct 1995 14:06:34 GMT
Organization: IM Publications

The European Mass Spectrometry Web Site is now up and running. The URL is:

http://www.impub.co.uk
The site contains abstracts of all issues published and of papers in press, a
complete sample issue for free downloading in Adobe Acrobat format, information
for authors on publishing with EMS, links to other sites and
subscription information.

We intend to develop the site to add other services in the future.


--
Ian Michael

IM PUBLICATIONS Publishers of:


6 Charlton Mill European Mass Spectrometry
Charlton Spectroscopy Europe
Chichester NIR news
West Sussex PO18 0HY Journal of Near Infrared Spectroscopy
UK
Tel: +44(0)1243-811334
Fax: +44(0)1243-811711
ian-michael@impub.demon.co.uk
http://www.impub.co.uk

******************************************************************************
From: knewland@herbie.unl.edu (KIRK NEWLAND)
Subject: Re: MALDI
Date: Wed, 18 Oct 1995 13:15:46 -0500 (CDT)

I was wondering if anyone had any information concerning any new recipes for
MALDI-tof matrices. I am working with a large range of peptides and protein
digests. Any information would be greatly appreciated.
BTW, I am hoping to move down to Atlanta this Summer. How is the job
market for mass spec work there?

Kirk Newland
University of Nebraska

******************************************************************************
From: brooks@physics.unc.edu (Steve Brooks)
Subject: Re: triglycerides in MS
Date: Thu, 19 Oct 1995 12:57:31 -0500
Organization: UNC Department Of Physics & Astronomy

In article <45u0ht$hbe@acmex.gatech.edu>, Paul Van Den Broeck


<Paul.VanDenBroeck@rug.ac.be> wrote:

> Does annybody know a good article, book, or review on th following topic :
> 'Fragmentation pathways of triglycerides (triacylglycerols) in Mass
> Spectroscopy' ?

I done a bit of lipid mass spec, but haven't done anything with
triacylglycerols. This sounds like something that might best be served by
a triple quad mass spec (especially if you are interested in the
constituent FAs. You might want to check with Dr. Ski Chilton at the
Bowman Gray School of Medicine in Winston-Salem, NC. He has done quite a
bit of relavent work. He is in the Department of Medicine, Section on
Pulmonary and Critical Care. Good luck.

Steve

--
Steve Brooks
PHONE: (919) 968-7977
EMAIL: BROOKS@PHYSICS.UNC.EDU

******************************************************************************
From: "Andrew N. Eaton" <ar30@dial.pipex.com>
Subject: Re: MALDI
Date: 20 Oct 1995 13:00:41 GMT
Organization: UnipalmPIPEX server (post doesn't reflect views of UnipalmPIPEX)

I too have had a lot of questions about MALDI matrices via the VG ORGANIC
web site. As of 16th October 95, we have started an index of MALDI
Matrices to which anyone can post suggestions.

The list is indexed according to matrix name and contains a description of


the compound(s) for which it has been tried, some sample prep information
and the Name, organisation and E-Mail address of the person who submitted
it. Full instructions for posting suggestions are given on the page

http://www.vgorgani.co.uk/bio/mmatrix1.htm

All contributions are welcome.

Dr Andrew N. Eaton, Marketing Manager, VG ORGANIC


E-Mail: Andrew.Eaton@instruments.fisons.co.uk
Tel: ++44 (0)161 929 9666, Fax: ++44 (0)161 941 5242
Tudor Road, Altrincham, Cheshire WA14 5RZ, United Kingdom

******************************************************************************
From: Drew Gibson <Drew_Gibson@sandwich.pfizer.com>
Subject: Re: MALDI
Date: 20 Oct 1995 11:38:09 GMT
Organization: Pfizer

Hi Kirk, you wrote:


>I was wondering if anyone had any information concerning any new recipes
>for MALDI-tof matrices. I am working with a large range of peptides and
>protein digests. Any information would be greatly appreciated.
>
>BTW, I am hoping to move down to Atlanta this Summer. How is the job
>market for mass spec work there?
>
>Kirk Newland
>University of Nebraska

I don't use MALDI myself, but just happened to note a reference in our library
yesterday - which may be of interest to you :-
6-aza-2-thiothymine : A matrix for MALDI spectra of oligonucleotides.
Lecchi (or Leechi ?) P, Le, HMT and Pannell, LK
Nucl. Acid Res. 1995 23(7) 1276.

As I say, I'm not a MALDI user, so I hope that this is of use to you.

Cheers,

Drew Gibson,
Pfizer Central Research (Drug Met Mass Spec Group)
Sandwich, England.

******************************************************************************
From: forensic@unix.asb.com (charles salerno)
Subject: copper analysis
Organization: ASB
Date: Fri, 20 Oct 1995 23:24:17 GMT

If anyone has any info how to extract copper from blood please pass it along.

Thank you
C.S.

******************************************************************************
From: forensic@unix.asb.com (charles salerno)
Subject: copper analysis
Organization: ASB
Date: Fri, 20 Oct 1995 23:31:31 GMT

I am looking for a gcms copper analysis and extraction from blood samples.
If you have one, please pass it along.
Thank you
C.S.

******************************************************************************
From: Seng Woon Lim <amoured@u.washington.edu>
Subject: D2O and HDO mass spectra
Date: Sat, 21 Oct 1995 00:27:07 -0700
Organization: University of Washington

dear spectroscopists out there

hi. i need the help of you guys out there. i am in a process of analysing
my D2O data and unfortunatedly it is somewhat contaminated by H2O.
therefore, i am desperately looking for mass spectra that provides the
fragmentation pattern of D2O and HDO.
i would very much appreciate if anyone can tell me where in the
literature i can look up the relevant data.

thank you very much

David
LSWD

CAFFEINECAFECOFFEECAFETERIACUPCAFFEINECOFFEECAFECAFETERIACOFFEECAFECUPCOFFEECAFE
================================================================================
' amoured@u.washington.edu
' { ' swlim@cheme.washington.edu
} } { Department of Chemical Engineering
{ { } (Water Interface Group)
/""""""""""\ University of Washington
|-==========-|/^^I Benson Hall, BF-10
| ^ ^ |- I Room B-011/B-005
| V | / TEL: (206) 543-5467
| Coffee |/ FAX: (206) 543-3778
\__________/ http://weber.u.washington.edu/~amoured/index.html
================================================================================

******************************************************************************
From: Nahum Gat <nahum@techexpo.com>
Subject: Re: VBC'96 - Call for Papers
Date: 22 Oct 1995 07:54:20 GMT
Organization: TechExpo Corporation

Hi,

You may want to post your conference / workshop/ call for papers
announcement at TechExpo, URL:

http://www.techexpo.com/

TechExpo has the largest Calender of Science and Technology conferences


on the Internet. And its FREE!

Regards,

Nahum Gat, Ph.D.

******************************************************************************
From: lwojcik@intele.net (Leonard Wojcik)
Subject: Re: D2O and HDO mass spectra
Date: Sun, 22 Oct 1995 11:51:01 MST
Organization: WTS

>hi. i need the help of you guys out there. i am in a process of analysing
>my D2O data and unfortunatedly it is somewhat contaminated by H2O.
>therefore, i am desperately looking for mass spectra that provides the
>fragmentation pattern of D2O and HDO.

David ,
Unfortunately mass spec is a very bad technique for dealing with D2O / D2O /
HDO because the stuff exchanges very, very fast. Exchanges happen in inlet
lines, storage bulbs (if you have not equilibrated the surface) and most
definitely in the source. I know of one chap who very painstakingly prepared
dideuterioacetylene from calcium carbide and D2O on a vac rack. When he went
to do his ICR (Ion Cyclotron Resonance) kinetic experiments he got a terible
mix due to the exchange of the acidic hydrogens on the acetylene. So make
sure your deuterium labeling is on a non exchangable site. (By the way things
are even worse if you're doing chemical ionization - everything equilibrates
all over the place if it stays in the source very long)

As for the spectra, there should be lines at 20 and 19 for D2O; 19,18 and 17
for HDO, and of course 18 and 17 for H2O.

******************************************************************************
Date: Sun, 22 Oct 95 14:12 EDT
From: Bill Lillycrop <aurora@user.rose.com>
Subject: Calibration Standard for Neg. Ci
Organization: Rose Media Inc, Toronto, Ontario, Canada

We wish to calibrate out GCMS in Ci-neg. mode down to mass 35. We have
looked at adding CCl4 and Ch2Cl2 to the FC43 to get masses between 35-200,
without much success. Does anyone have any suggestions as to a new
reference compound, or a compound which would be added to FC43 so that we
can get a full range tune from 35 to 700?

******************************************************************************
From: bellini@mnvax.irfmn.mnegri.it
Subject: GC-MS method for Demeton
Date: 19 Oct 1995 08:52:07 GMT
Organization: Istituto MARIO NEGRI

I've some problem for the GC-MS analysis of Demeton-O ethyl and Demeton-O
methyl. Could you help me, please?
Thank you in advance,
Alberto

******************************************************************************
From: palmenj@govonca.gov.on.ca (J-P Palmentier)
Subject: Re: Calibration Standard for Neg. Ci
Date: 23 Oct 1995 15:34:15 GMT
Organization: Government of Ontario

Bill Lillycrop <aurora@user.rose.com> writes:


>We wish to calibrate out GCMS in Ci-neg. mode down to mass 35. We have
>looked at adding CCl4 and Ch2Cl2 to the FC43 to get masses between 35-200,
>without much success. Does anyone have any suggestions as to a new
>reference compound, or a compound which would be added to FC43 so that we
>can get a full range tune from 35 to 700?

For NICI, we use a 1000:1 mixture of PFTBA and PFBN (pentafluorobenzonitrile).


This gives ions at m/z 193 (5-15% of m/z 633), m/z 452 (20-40% of m/z
633) and m/z 633 as a base peak.

Does this help you?

J-P

******************************************************************************
From: palmenj@govonca.gov.on.ca (J-P Palmentier)
Subject: Re: Calibration Standard for Neg. Ci
Date: 23 Oct 1995 15:44:29 GMT
Organization: Government of Ontario

Bill Lillycrop <aurora@user.rose.com> writes:

Also, there is an excellent book out by Beth. A. Stemmler and Ron A.


Hites - Electron Capture Negative Ion Mass Spectra of Environmental
Contaminants and Related Compounds VCH Publishers ISBN 0-89573-708-6.
It is on page vi that they describe using the 1000:1 PFTBA:PFBN mixture.

J-P

******************************************************************************
From: krakovej@zgi.com (Jonathan Krakover)
Subject: Re: MALDI
Date: Mon, 23 Oct 1995 16:48:06 -0100
Organization: ZymoGenetics

In article <46892m$cvo@acmey.gatech.edu>, "Andrew N. Eaton"


<ar30@dial.pipex.com> wrote:

> I too have had a lot of questions about MALDI matrices via the VG ORGANIC
> web site. As of 16th October 95, we have started an index of MALDI
> Matrices to which anyone can post suggestions.
>
> The list is indexed according to matrix name and contains a description of
> the compound(s) for which it has been tried, some sample prep information
> and the Name, organisation and E-Mail address of the person who submitted
> it. Full instructions for posting suggestions are given on the page
>
> http://www.vgorgani.co.uk/bio/mmatrix1.htm
>
> All contributions are welcome.
>
> Dr Andrew N. Eaton, Marketing Manager, VG ORGANIC
> E-Mail: Andrew.Eaton@instruments.fisons.co.uk
> Tel: ++44 (0)161 929 9666, Fax: ++44 (0)161 941 5242
> Tudor Road, Altrincham, Cheshire WA14 5RZ, United Kingdom

Left out a 'c' in your address, it works better with

http://www.vgorganic.co.uk/bio/mmatrix1.htm

Also a HUGH database of matrices can be found at:

http://chait-sgi.rockefeller.edu/

Jonathan Krakover
krakovej@zgi.com
ZymoGenetics Inc.

******************************************************************************
From: JR_Laboratories Inc <JR_Laboratories_Inc@mindlink.bc.ca>
Date: Tue, 17 Oct 95 11:36:53 -700
Subject: lc/ms

Dear:gatech.edu

I'd be curious to know how other people using LC/MS have been able
to boost sensitivity, particularly for neutral compounds such as
fat soluble vitamins. I'm running an HP API-electrospray system
on a 5989B mass spectrometer. As yet have only been able to get
decent spectra from concentrations in the mid to high ppb range.
I'm using positive ion mode and can't seem to go any lower.
Unfortunately I don't have CI capabilities.

Any suggestions?

Paul

******************************************************************************
From: "Gary J. Van Berkel" <vanberkelgj@ornl.gov>
Subject: Re: lc/ms
Date: 24 Oct 1995 17:08:33 GMT
Organization: Lockheed Martin Energy Systems

You need an ionic form the analyte in solution for best signal in true
ES-MS (i.e., no gas-phase ionization processes). You should examine the
functional groups on the molecule to determine the best way to form an
ion--e.g., Bronsted or Lewis acid/base chemistry, chemical
electron-transfer, electrochemical electron transfer (using the inherent
electrolytic effect in ES), or possibly derivatization to form an ionic
compound or a compound ionizable by the methods described above.
******************************************************************************
From: rcivi@cts.com (Richard Civitate)
Subject: For Sale: GC/MS/PC System
Date: 24 Oct 1995 22:29:11 GMT
Organization: Scientific Equipment Exchange, Inc.

The following item is available for immediate sale:

Varian SATURN II GC/MS/PC System Purchased NEW in October 1991 for


$130,000.00. This instrument is in Like-New condition.
Programmable Split/Splitless Capillary Injector & Septum Equipped
Programmable Injector, Varian 8100 AutoSampler,
Tekmar liquid sampler concentrator, Tekmar automatic sampler,
Compaq computer system with software library, External tape system,
Panasonic Lasar Printer, etc! Thousands of dollars of "extras": parts and
accessories included! This system has seen almost no use and must be sold
!
Asking $ 48,995.00

If you are interested in this instrument, please contact:


Scientific Equipment Exchange, Inc.
Phone: (619) 675-0026
Fax: (619) 675-0027
E-mail: rcivi@cts.com

******************************************************************************
Date: Tue, 24 Oct 1995 16:14:09 -0700
From: WITOLD WINNIK <ASDWXW@wpmail.las.epa.gov>
Subject: Response to Bill Lillycrop, subject: Calibration Standard for Neg. Ci

Response to:

From: Bill Lillycrop <aurora@user.rose.com>


Subject: Calibration Standard for Neg. Ci

Date: 22 Oct 1995 14:29:27 -0400


Approved: cminvms@acmex.gatech.edu

We wish to calibrate out GCMS in Ci-neg. mode down to mass 35. We


have looked at adding CCl4 and Ch2Cl2 to the FC43 to get masses
between 35-200, without much success. Does anyone have any
suggestions as to a new reference compound, or a compound which
would be added to FC43 so that we can get a full range tune from 35 to
700?

From: Witold Winnik, Postdoctoral Associate at US E.P.A. Research


Laboratories, Las Vegas.
Phone: (702)798-2178,
e-mail: ASDWXW@wpmail.las.epa.gov

Dear Bill,

I have been using Fomblin (Aldrich 31, 792-6) for NICI/MS tuning with
very good results. This compound is a perfluoropolyether, average M.Wt.
up to 1800 daltons. It calibrates very well from 35 up to almost 2000 m/z.
First, I tried introducing it through the calibration gas inlet system (TSQ
700 instrument), but the compound was not volatile enough. Later I
found out that the best method of introduction of the compound into the
source was simply through the solids probe inlet. Fomblin is basicaly a
pump oil which is characterized by low vapor pressure, so it evaporates
slowly and evenly from the solids probe vial and gives a very good
negative-ion spectrum, a lot better than FC43.

A high resolution NICI spectrum of this compound and a list of peaks was
published by William C. Brumley several years ago.

Good luck!

Witold Winnik, Ph.D.

******************************************************************************
From: Chris Carvalho <c.carvalho@qut.edu.au>
Subject: Announcing QLD RACI Organic Group on the WWW
Date: 25 Oct 1995 07:13:37 GMT
Organization: QUT

Announcing the Organic Group of the Royal Australian Chemical Institute,


Queensland Branch on the Worldwide web

http://www.sci.qut.edu.au/chem/orgchem/

******************************************************************************
From: Mario.Furlanut@dpmsc.uniud.it
Subject: levodopa and API III
Date: 25 Oct 95 14:59:51 MET
Organization: University of Udine

We need help in order to prepare a mobile phase to separate levodopa and its
metabolites in plasma using LC/MS SCIEX API III
Thank's

******************************************************************************
From: matuszakk@randb.pprd.abbott.com
Subject: Re: lc/ms
Date: 25 Oct 95 07:03:14 CST
Organization: Abbott Laboratories

Try 0.1M NH4OH or 5mM NH4Acetate as part of the mobile phase.

Ken M.
******************************************************************************
From: daweil@mmm.com
Subject: MALDI of Polymers
Date: 25 Oct 1995 15:35:36 GMT
Organization: 3M - St. Paul, MN 55144-1000 US

RE: MALDI Matrices

Is there any interest in having a separate listing of MALDI matrices that work well
with Industrial Polymers?

The matrices listed in the VGORGANICS web site are mainly for Biopolymers and not
synthetic polymers.

The advancement of MALDI for polymer characterization could be improved with a free
exchange of sample
preparation and matrices for specific polymer classes.

David Weil
daweil@mmm.com

******************************************************************************
From: WMBONE00@ukcc.uky.edu (Bill Bone)
Subject: Re: Calibration Standard for Neg. Ci
Date: Wed, 25 Oct 95 16:01:52 EDT
Organization: The University of Kentucky

In article <46e2i7$4ni@acmey.gatech.edu>
Bill Lillycrop <aurora@user.rose.com> writes:

>We wish to calibrate out GCMS in Ci-neg. mode down to mass 35. We have
>looked at adding CCl4 and Ch2Cl2 to the FC43 to get masses between 35-200,
>without much success. Does anyone have any suggestions as to a new
>reference compound, or a compound which would be added to FC43 so that we
>can get a full range tune from 35 to 700?
>
>
I've used OH- background at M/z = 17 and F- at M/z = 19 in the past when
I have needed to scan to low masses. It has always worked fine.
Good luck.
Bill
>

******************************************************************************
From: mlynek@chem.wisc.edu (Peter Mlynek)
Subject: Re: D2O and HDO mass spectra
Date: Wed, 25 Oct 1995 20:11:46 -1000
Organization: University of Wisconsin-Madison

Seng Woon Lim <amoured@u.washington.edu> wrote:

> ...i am in a process of analysing my D2O data and


> unfortunatedly it is somewhat contaminated by H2O.
> therefore, i am desperately looking for mass spectra that
> provides the fragmentation pattern of D2O and HDO.

I dunno, I don't think I'd relie on MS at such low MW to be


too terribly precise. Of course, a real quick way (<5 min) to
determine the level of impurity would be just to measure the
density. :) --Peter Mlynek

******************************************************************************
Date: Thu, 26 Oct 1995 16:15:29 +0000 (GMT)
From: gs_klinger@pnl.gov (George S Klinger)
Subject: Re: copper analysis
Organization: Battelle Pacific Northwest Labs

In article <46bepi$jl1@acmey.gatech.edu>, forensic@unix.asb.com says...


>
>
>I am looking for a gcms copper analysis and extraction from blood
samples.
>If you have one, please pass it along.
>Thank you
>C.S.
>
>I don't know about GC/MS, but I've analyzed for EDTA and HEDTA in waste
by adding copper and then analyzing using LC/DAD. It worked well.
Adding sodium form EDTA to your blood, and then adjusting the pH for the
copper complex might work. - George (gs_klinger@pnl.gov)
>

******************************************************************************
From: mwelch@TRENTU.CA (Somewhere in Bohemia)
Subject: Dating/Radio&Stable Tracers
Organization: Trent University, Peterborough
Date: Fri, 27 Oct 1995 07:20:08 GMT

I am currently working on investigating


groundwater dating technology and tracers.

I would welcome any knowledge of references/sources


of information on various tracers in use and the
current methods of dating groundwater.

I am attempting to establish a strong platform to


build my thesis upon.

Thank you for any assistance offered.

MJ Welch
Watershed Ecosystems Graduate Studies
c/o Lady Eaton College
Trent University
Peterborough, Ontario
Canada K9J 7B8
Email: MWelch@TrentU.Ca
******************************************************************************
From: "Andrew N. Eaton" <ar30@dial.pipex.com>
Subject: Re: MALDI of Polymers
Date: 27 Oct 1995 09:01:43 GMT
Organization: UnipalmPIPEX server (post doesn't reflect views of UnipalmPIPEX)

In response to a number of requests (although no actual postings yet!) I


am currently restructuring the VGO MALDI matrix by application. The
initial list will therefore be:

Peptides Proteins and digests


Synthetic Polymers
Oligonucleotides
Oligosaccharides
Gels/Membranes

Within these groups, compounds will be arranged alphabetically as before.


To remind you, the information and instrucions for posting can be found at

http://www.vgorganic.co.uk/bio/mmatrix1.htm

Best Regards,

Andrew N. Eaton, VG Organic

******************************************************************************
Date: Thu, 26 Oct 1995 23:08:20 -0700
From: coburn@indirect.com (Anne Coburn)
Subject: Re: Position available

RESEARCH ASSOCIATE II - Protein Mass Spectroscopist

The position detailed below is an IMMEDIATE opening, located in Southern


California
and requires an exceptionally bright and capable mass spectroscopist, with
experience
in the characterization/purification of peptides and proteins. This person
will work with
respected scientist's, and be part of the most successful biotechnology
company in the
country.

This company is at the forefront in the discovery, expression,


purification, characterization,
and laboratory-scale development of new protein theraputics. If you have
specialized
knowledge of PEPTIDE/PROTEIN CHEMISTRY and MASS SPECTROSCOPY -- this
is an opportunity for you to enhance your career in an environment where
scientists
have the resources and support necessary to develop their full potential.
Compensation
is competitive and affordable housing is available. This is an immediate
opening.

OBJECTIVE:
To support and contribute to the efforts of this group as they conceive of
and develop
new approaches in order to obtain structural information about proteins,
peptides, glyco-
proteins, and carbohydrates through the use of state-of-the-art mass
spectrometry.
This is a hands-on research position which will focus on the challenge of
going beyond
conventional methods to obtain information on increasingly limited amounts
of material.
In addition, this person will also act as an in-house liaison between this
group and the
rest of the company.

DUTIES:
- The characterization/purification/mapping of proteins and peptides using
mass spectroscopy.
- Function as liaison between this group and various people and groups
in-house.
- Support and contribute to on-going research projects.

REQUIREMENTS:
- B.S. or M.S. in Chemistry, Biochemistry, or closely related field. (No
Ph.D.'s will be considered)
- Expertise in electrospray LC/MS, LC/MS, and laser desorption ionization
(MALDI) required.
Experience in Capillary LC/MS would be an attractive additional skill.
- A minimum of 2 years experience in mass spectroscopy working with and
peptides and proteins.
- Expertise in protein and peptide mapping, characterization and
purification.
- The ability to operated specialized laboratory equipment and computers.
- Some background in the interpretation of mass spectra.
- Strong analytical skills.
- The ability to work independently with minimum supervision.

For immediate and confidential consideration, contact:


ANNE COBURN
Coburn Scientific Search & Consulting
4449 East Whitman
Tucson, AZ 85711-3515
Ph:520.881.008

Fax:520.321.1475
coburn@indirect.com
----------------------------------------------------------------------------
--------------------------------

Anne Coburn
COBURN Scientific Search
4449 Whitman
Tucson, AZ 85711
Ph: 602.881.0084
Fax: 602.321.1475
******************************************************************************
From: "John Bartmess" <BARTMESS@novell.chem.utk.edu>
Organization: Univ. of Tenn. Dept. of Chemistry
Date: Fri, 27 Oct 1995 11:17:59 EST
Subject: MS simulator program?

We are looking for a software package that simulates the operation of a


mass spectrometer (sector or quad). We've found several programs for ir
and nmr spectrometers, but not for mass spec. This is for an undergrad
laboratory. Anybody know of anything available?

John
--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=-=--=--=--=--=--=--=-
| John Bartmess | Organic Chem || my opinions, being antithetical |
| Dept. of Chem., U. of Tennessee || to "big time" football, cannot |
| Knoxville TN 37996-1600 || be those of the Univ. of Tennessee|
| (423) 974-6578 Fax: 974-3454 || "Anions are more fun!" |
| jbartmess@utk.edu http://novell.chem.utk.edu/bartmess.htm |
--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=-=--=--=--=--=--=--=--=-

******************************************************************************
From: "Rob O'Brien" <ROB.O'BRIEN@nrc.ca>
Subject: Re: Calibration Standard for Neg. Ci
Date: 27 Oct 1995 15:48:00 GMT
Organization: National Research Council, Canada

Bill Lillycrop <aurora@user.rose.com> wrote:


>We wish to calibrate out GCMS in Ci-neg. mode down to mass 35. We have
>looked at adding CCl4 and Ch2Cl2 to the FC43 to get masses between 35-200,
>without much success. Does anyone have any suggestions as to a new
>reference compound, or a compound which would be added to FC43 so that we
>can get a full range tune from 35 to 700?
>

There is an article composed Japanese authors which examines a series


of fluorinated "calibration" compounds for use in the low mass region.
I have a copy of this paper, unfortunately, although many of the tables,
abstract, and title are in english, the journal title in not translated.
A few of my Jananese friends have provided me with a ball park translation.

"Calibration Standard Material in Low Mass Range for Negative Ion


Chemical Ionization Mass Spectrometry"
Akihiro Shibata, Yoshio Iida, & Hironori Yagi
Shitsuryo Bunseki, Vol. 39, no. 2, 1991 p 79-91

They suggest a 10:1:1 mixture of CF3COOCH3, C2F5COOC2H5, C3F7COOC2H5 or


a 1:1:1 mixture of (CF3CO)2 O, (C2F7CO)2 O, (C3F7CO)2 O

I have not tried these mixtures myself. I use the background Chlorine
isotopes at mass 35 and 37 to check the lower mass range.
Note, I have noticed that the relative abundance of ions in FC43 and
PFK can change somewhat at different source pressures, temperatures,
and with different moderator gasses types. Therefore, it is useful
to create a secondary caibration file that reflects this change.

If you get a particulary good suggestion, have other questions, or


would to discuss other NICI issues please contact me at,

ro@iecems.lan.nrc.ca or robrien@ccs.carleton.ca

regards,

R.O'B

******************************************************************************
From: m.vandeweert@stud.chem.ruu.nl (Weird L. Marcowitz)
Subject: [Q] Mass spectra of indoles, oxyindols
Date: Thu, 26 Oct 1995 09:46:03 +0100
Organization: Academic Compter Centre Utrecht

Hi everyone,

Does anyone know if there is any literature about the fragmentation of


indoles and/or oxyindols? Or is there anyone who has experimental
experience with these compounds?
Any help would be appreciated!

Regards,

Marco

******************************************************************************
From: Kathy Plavcan <plavcak@aa.wl.com>
Subject: Post-Doc Available at Parke-Davis, NJ
Date: 27 Oct 1995 21:39:35 GMT
Organization: Warner-Lambert Parke-Davis Research

A postdoctoral opportunity exists at Parke-Davis, Morris Plains, NJ to set up a


state-of-the-art bench top single quadrapole LC/MS in a dynamic pharmaceutical
research environment to support new drug product development. A GC/MS/IR is also
available. Responsibilities include operation, maintenance, training,
problem-solving, and spectral characterization, interacting with multiple
customers.
Emphasis on detection and characterization of degradation products and synthetic
impurities at low levels. Candidate should have a Ph.D. in Chemistry or related
science and hands-on experience with mass spectrometry and liquid chromatography.
Please respond to Dr. Kathleen Plavcan, Parke-Davis Co., 170 Tabor Road, Morris
Plains, NJ 07950. fax 201-540-4600.

******************************************************************************
From: "John Bartmess" <BARTMESS@novell.chem.utk.edu>
Organization: Univ. of Tenn. Dept. of Chemistry
Date: Sat, 28 Oct 1995 14:04:15 EST
Subject: Re: Calibration Standard for Neg. Ci

Bill Lillycrop <aurora@user.rose.com> asked:


>We wish to calibrate out GCMS in Ci-neg. mode down to mass 35. We
>have looked at adding CCl4 and Ch2Cl2 to the FC43 to get masses
>between 35-200, without much success. Does anyone have any
>suggestions as to a new reference compound, or a compound which
>would be added to FC43 so that we can get a full range tune from
>35 to 700?

I suspect that this is a volatility problem. Chlorocarbons such as


CCl4 have *much* higher cross-sections for chloride production
than fluorocarbons do for fluoride production. However, the ones
you chose are so volatile, *compared to FC43*, that they may be
pumped away by the time that you see the higher mass peaks. You
need a higher MW chloro(+bromo?) carbon, of volatility more
comparable to FC43. I don't have an immediate suggestion as to
which one to try, but look in Aldrich for highly chlorinated/
brominated compounds with BPs somewhere near that of FC43.

John

******************************************************************************
From: "John Bartmess" <BARTMESS@novell.chem.utk.edu>
Organization: Univ. of Tenn. Dept. of Chemistry
Date: Sat, 28 Oct 1995 14:06:10 EST
Subject: Remailing Service for STMS - problems

As noted in the periodically-appearing Information post for this


newsgroup, there is a mailing service for sci.techniques.mass-
spec. This is currently twice weekly Tuesday and Friday, save when
I'm out of town. It is intended for those who cannot receive
NewNets directly, but do have e-mail access. {as noted by one
requester, this is for people "whose bosses won't let them have
NetNews access, because they will spend all their time reading
alt.sex.barney"} Subscribing is done automatically (see below for
instructions) in that I never see mail from subscribers; their
names just appear on the mailing address list.

There are now ca. 125 people subscribed. I've been having a
consistent problem, however, with about 5% of new subscribers. The
mailings to these folks are returned to me with an error message,
indicating that either the host/domain or username is not valid.

- If the username is not known, I send mail to the postmaster at


that site, to see if something near the username is known. This is
normally not successful, but I do try.

- If the host/domain name is not known, there's nothing I can do.

- Occasionally, I've also encountered the problem where a host is


down. The e-mail system under such circumstances keeps trying for
three days before quitting and returning an error message to me. I
make no attempt to resend that particular packet to that site, but
try again with the next packet.

- There are a few addresses that have *never* been valid hosts, on
many successive mailings.

If any of the above problems persist for three mailings, I remove


the bad address from the mailing list.

I realize that mailing subscribers probably *won't* see this post. If you
know of someone attempting to receive the group this way, and having
problems, please pass the following information along to them.

*** If someone subscribes and receives no mailings within 10 days***


then:
they should send e-mail directly to <jbartmess@utk.edu>. I will
attempt to establish communication directly with them, verifying
their e-mail address, and then add them manually to the mailing
list.

Thanks,

John 28 October 1995 1400


++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ To subscribe to the mailing service of sci.techniques.mass-spec, +
+ send e-mail to: maiser@novell.chem.utk.edu+ +
+ with _no subject_ and the text of the message being entirely:+ +
+ +
+ sub stms +
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++

******************************************************************************
From: ahq@mail.utexas.edu (Ah-Q The Horrible)
Subject: {Q}: What's the spectrum of teflon look like?
Date: Sat, 28 Oct 1995 17:45:58 -0600
Organization: UT-Austin, Physics Dept.

Hi, All:

I just wonder if the teflon in the UHV chamber is toasted,


what would be the peaks' location?
More like C, O, OH, ... or other stuff?
Thanks.

Ah-Q, The Horrible


ahq@mail.utexas.edu

******************************************************************************
From: JOERG.HAU@01.chlsnr.nestrd.ch
Date: Mon, 30 Oct 1995 08:47:53 +0100
Subject: Re: API of neutrals

>I'd be curious to know how other people using LC/MS have been able
>to boost sensitivity, particularly for neutral compounds such as
>fat soluble vitamins. [...]
>Unfortunately I don't have CI capabilities.

Hi Paul,

If you have neutrals and no APCI, you're having a problem. By the nature
of its ionization process, electrospray alone will not give very high
sensitivity on "neutral" (i.e., non-protonable or non-ionic) compounds.

We've had the same problem, e.g. for carotenoids; the only solution we
found was to use APCI.

Good luck,
Joerg

---------------------------------------
Dr. Joerg Hau
Nestl'#e Research Centre
Vers-chez-les-Blanc
Case postale 44
CH-1000 Lausanne 26, Switzerland

Phone ++41 21 785-8069


Fax ++41 21 785-8566, -8554
Joerg.Hau@chlsnr.NestRD.ch
---------------------------------------

******************************************************************************
From: JOERG.HAU@01.chlsnr.nestrd.ch
Date: Mon, 30 Oct 1995 13:59:10 +0100
Subject: For sale

Computer parts for sale


-----------------------

2 Color Graphics Terminals SEIKO D-Scan GR-1104


1 Color Printer SEIKO D-Scan CH-5301, for the above terminal
1 Tape drive Kennedy 9610
1 Dot matrix printer Printronix MVP
(System printer of a PDP 11/73 system)

All in excellent condition and with complete documentation.


For more information, please contact:

Laurent Fay Laurent.Fay@chlsnr.NestRD.ch Phone ++41 21 785-8609


- or -
Joerg Hau Joerg.Hau@chlsnr.NestRD.ch Phone ++41 21 785-8069

Nestl'#e Research Centre


Vers-chez-les-Blanc
Case postale 44
CH-1000 Lausanne 26, Switzerland

Fax ++41 21 785-8566, -8554

******************************************************************************
Date: Mon, 30 Oct 1995 11:56:00 -0500 (CDT)
From: "Steven P. Cepa 708-937-7539" <CEPA.STEVEN@igate.pprd.abbott.com>
Subject: November meeting

MCM-MSDG Meeting Announcement

Tuesday, November 14
At the Mirage Restaurant at the Howard Johnson O'Hare
in Schiller Park, IL -- 10249 Irving Park Rd.

Cocktails at 5:30 pm,


Dinner at 6:30 pm
Presentation at about 7:30 pm.

Registration is $20
Call 708-245-3403 by Nov. 10 for reservations.

The speaker is Prof. Ronald Hites,


School of Public and Environmental Affairs and
Department of Chemistry,
Indiana University, Bloomington, Indiana.

The title of his talk is "Environmental Applications of Gas


Chromatography/Mass Spectrometry: Stories from a Simple Chemist"

Dr. Hites is a well-known scientist in the field of environmental analytical


chemistry. His research interests include studying the environmental fate and
transport of organic pollutants and applications of gas chromatography and
mass spectrometry in the measurement of the organic pollutants. He is also a
famous chemical raconteur. Dr. Hites will be speaking about research projects
that his laboratory has been involved in and related stories which the
audience will find interesting.

******************************************************************************
From: "Gary J. Van Berkel" <vanberkelgj@ornl.gov>
Subject: Re: API of neutrals
Date: 30 Oct 1995 23:06:53 GMT
Organization: Lockheed Martin Energy Systems

There are alternative solution chemistries that can be used to ionize


certain types of neutral organics for analysis by electrospray. Look up
our recent articles in ANALYTICAL CHEMISTRY.
******************************************************************************
Date: Tue, 31 Oct 1995 04:00:47 +0000 (GMT)
From: chem208@cantva.canterbury.ac.nz (Bruce Clark)
Subject: Help with Kratos spares
Organization: Chemistry Dept, Univ of Canty, CHCH NZ

I need help with locating a supplier of Kratos spares for an MS80 mass
spec. An exKratos engineer told me of a supplier which trades under the
name of DSR for Kratos spares. However I've not been able to locate a
contact fax number or address for this company can anyone supply me with a
contact for this company which is run by one Doug Ross(?). Any help will be
most greatfully accepted. Many thanks in advance.

Bruce Clark
Chemistry Dept
University of Canterbury
Private Bag 4800
Christchurch
New Zealand

email:B.Clark@CHEM.CANTERBURY.AC.NZ

******************************************************************************
From: caughran@cr2novl.chem.uga.edu (Joel A. Caughran)
Subject: Carbonyl Compounds
Date: 31 Oct 1995 15:22:45 GMT
Organization: Chemistry Learning Center

I am posting these questions for someone else.

Ques. 1: Is there a good solvent mix for HPLC that will allow you
to elute aldehydes, ketones, and other carbonyl compounds? After
elution, the solvent/sample plug will be carried into a mass spectrometer,
so that needs to be taken into account as well. Inorganic buffers or
salts are not an option.

Ques. 2: Is there a derivatization technique/method that will allow


for the derivatization of EITHER aldehyes OR ketones. Derivatization
of the sample with PFBHA will give both types of compounds, but I am
interested in one or the other if possible. Keep in mind for both
questions that the samples of interest are water samples from a
treatment plant.

Please respond by email to


susan@athens.ath.epa.gov or
tsullins@athens.ath.epa.gov
if possible. Your assistance is greatly appreciated.

=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-
Joel A Caughran caughran@cr2novl.chem.uga.edu
Chemistry Learning Center caughran@sunchem.chem.uga.edu
Department of Chemistry
University of Georgia Voice (706) 542-1906
Athens, GA 30602 Fax (706) 542-9454
-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=-=

******************************************************************************
From: news@chaos.kulnet.kuleuven.ac.be
Subject: Re: Help with Kratos spares
Date: 31 Oct 1995 16:07:33 GMT
Organization: K.U.Leuven

chem208@cantva.canterbury.ac.nz (Bruce Clark) wrote:


>I need help with locating a supplier of Kratos spares for an MS80 mass
>spec. An exKratos engineer told me of a supplier which trades under the
>name of DSR for Kratos spares. However I've not been able to locate a
>contact fax number or address for this company can anyone supply me with a
>contact for this company which is run by one Doug Ross(?). Any help will be
>most greatfully accepted. Many thanks in advance.

>email:B.Clark@CHEM.CANTERBURY.AC.NZ
>
Personally, I don't know the DSR company, but Kratos still has spares for
most of its instruments. Their service is located on :

http://www.kratos.com/spares.html

Are you shure about the name DSR ? I know Kratos used a lot of parts
distributed by RS. I have their address if you need it.
Perhaps it would be more clear if you could tell what you need.

Jef.

******************************************************************************
From: pesinc@pluto.njcc.com (PES Inc )
Subject: Simion 3D Ion optics similation available
Date: 31 Oct 1995 21:13:54 GMT
Organization: New Jersey Computer Connection, Lawrenceville, NJ

David A. Dahl of Idaho National Engineering Laboratory


has just released Simion 3D 6.0 for PC

Simion 3D 6.0 is a completely new version of the Simion family,


not only because it has 3D simulation features that no previous Simion
versions have, but also because it has a brand new stand alone enhanced
graphics user interface. Users of Simion 3D 6.0 will no longer need to
buy any third party interface software (such as GCS GUI).

It can model complex problems using an ion optics workbench


that can hold up to 200 2D and/or 3D electrostatic/magnetic potential
arrays. Arrays can have up to 10,000,000 points. SIMION 3D's 32
bit virtual Graphics User Interface provides a highly interactive
advanced user environment. All potential arrays are visualized as
3D objects that the user can cut away to inspect ion trajectories
and potential energy surfaces. User programs have been greatly
extended in versatility and power. A new geometry file option
supports the definition of highly complex array geometry.
Extensive algorithm modifications have dramatically improved this
version's computational speed and accuracy.

Free Simion 3D 6.0 demo software can be obtained via


WWW or anonymous ftp from:

WWW: http://pluto.njcc.com/~pesinc/
Anonymous ftp: ftp.njcc.com/pub/pes/simion3d.exe

******************************************************************************
From: yhardgb@chem1.chem.dal.ca (G.B. Yhard)
Subject: APCI of air sensatives
Date: Tue, 31 Oct 1995 22:36:56 GMT
Organization: Chemistry Department, Dalhousie University

Anyone have any experience in the analyzsis of air sensative compounds by


APCI/ESI, or know of any references to this?

******************************************************************************
From: knewland@herbie.unl.edu (KIRK NEWLAND)
Subject: Re: MALDI of Polymers
Date: 1 Nov 1995 10:00:07 GMT
Organization: University of Nebraska--Lincoln

daweil@mmm.com wrote:
: RE: MALDI Matrices

: Is there any interest in having a separate listing of MALDI matrices that


: work well with Industrial Polymers?

: The matrices listed in the VGORGANICS web site are mainly for Biopolymers
: and not synthetic polymers.

: The advancement of MALDI for polymer characterization could be improved


: with a free exchange of sample preparation and matrices for specific
: polymer classes.

: David Weil
: daweil@mmm.com

I have a friend who is researching that very thing. Could you send me a copy
of the info you have via e-mail?

Also, a separate listing would be befitting.

Kirk Newland
University of Nebraska
knewland@herbie.unl.edu
******************************************************************************
From: "Lorne M. Fell" <g9526457@mcmail.cis.mcmaster.ca>
Subject: Re: MS simulator program?
Date: 1 Nov 1995 17:42:05 GMT
Organization: McMaster University

Sounds like a job for 'Simion' to me. I have not myself used this
package, but essentially it simulates ion trajectories within a
specified geometry (mass spectrometer). Your internet browser should
have a search function....
Lorne
--
IN THE UNIVERSE THE DIFFICULT THINGS ARE DONE AS IF THEY WERE EASY.

-- LAO-TSU
Lorne M. Fell
Department of Chemistry
McMaster University
Hamilton, Ontario, Canada email: g9526457@mcmail.cis.mcmaster.ca

******************************************************************************
From: "John Bartmess" <BARTMESS@novell.chem.utk.edu>
Subject: MS simulator program?
Date: 27 Oct 1995 11:21:54 -0400
Organization: Univ. of Tenn. Dept. of Chemistry

We are looking for a software package that simulates the operation of a


mass spectrometer (sector or quad). We've found several programs for ir
and nmr spectrometers, but not for mass spec. This is for an undergrad
laboratory. Anybody know of anything available?

John
--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=-=--=--=--=--=--=--=-
| John Bartmess | Organic Chem || my opinions, being antithetical |
| Dept. of Chem., U. of Tennessee || to "big time" football, cannot |
| Knoxville TN 37996-1600 || be those of the Univ. of Tennessee|
| (423) 974-6578 Fax: 974-3454 || "Anions are more fun!" |
| jbartmess@utk.edu http://novell.chem.utk.edu/bartmess.htm |
--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=-=--=--=--=--=--=--=--=-

---------------------------------106902267317289--

******************************************************************************
From: Rachel Ogorzalek Looo <loo@brcf.med.umich.edu>
Subject: Re: APCI of air sensatives
Date: 1 Nov 1995 20:06:01 GMT
Organization: University of Michigan

yhardgb@chem1.chem.dal.ca (G.B. Yhard) wrote:


>
> Anyone have any experience in the analyzsis of air sensative compounds by
> APCI/ESI, or know of any references to this?
>
>
>
I run air-sensitive compounds occasionally by ESI on a VG platform.
The chamber is flushed with nitrogen for a while before the
analysis is attempted. I use a gas-tight syringe to add solvent to
the sample which is contained in a septum-topped flask. The solution
is withdrawn with a gas tight syringe and delivered by continuous
infusion. The method has worked well, although I have to remember
to ask the investigators whether their sample is temperature-sensitive
as well. If it's temperature-sensitive too then I run the source
as cold as I can.
----------------------------------------------------------
Rachel Ogorzalek Loo
University of Michigan Protein Structure Facility
2560 MSRB II
1150 W. Medical Center Dr.
Ann Arbor, MI 48109-0674
(313) 763-6734 telephone
(313) 936-2638 fax
loo@brcf.med.umich.edu
----------------------------------------------------------

******************************************************************************
From: ijames@codon.nih.gov (Carl F. Ijames)
Subject: Re: MALDI
Organization: National Institutes of Health
Date: Thu, 2 Nov 1995 02:25:12 GMT

In article <46892m$cvo@acmey.gatech.edu>, "Andrew N. Eaton"


<ar30@dial.pipex.com> wrote:

> I too have had a lot of questions about MALDI matrices via the VG ORGANIC
> web site. As of 16th October 95, we have started an index of MALDI
> Matrices to which anyone can post suggestions.
>
> The list is indexed according to matrix name and contains a description of
> the compound(s) for which it has been tried, some sample prep information
> and the Name, organisation and E-Mail address of the person who submitted
> it. Full instructions for posting suggestions are given on the page
>
> http://www.vgorgani.co.uk/bio/mmatrix1.htm

Could you double check this address, as I can't seem to find


www.vgorgani.co.uk. Thanks.

Regards,
Carl Ijames ijames@codon.nih.gov

******************************************************************************
From: "Michael J. Shifflet" <shiffty@postoffice.ptd.net>
Subject: Re: Carbonyl Compounds
Organization: ProLog - PenTeleData, Inc.
Date: Thu, 2 Nov 1995 02:37:58 GMT

caughran@cr2novl.chem.uga.edu (Joel A. Caughran) wrote:


>I am posting these questions for someone else.
>
>Ques. 1: Is there a good solvent mix for HPLC that will allow you
>to elute aldehydes, ketones, and other carbonyl compounds? After
>elution, the solvent/sample plug will be carried into a mass spectrometer,
>so that needs to be taken into account as well. Inorganic buffers or
>salts are not an option.

This is going to depend on what aldehydes and


keytones that you are interested in separating. A gradient
elution scheme using water and ACN would be a good place to
start. C8 or C18 would be a traditional column. I would
highly recomend that you try a hypercarb column.

Mike Shifflet
shiffty@ptd.net

******************************************************************************
From: dfettero@ahoynet.com (Dean D. Fetterolf)
Subject: Bear Instruments benchtop QQQ - WWW page
Date: Thu, 02 Nov 1995 03:57:50 GMT
Organization: Capital Area Internet Service info@cais.com 703-448-4470

Bear Instruments has a WWW page at http://www.portal.com/~bear


with info on their new benchtop triple quadrupole GC/MS/MS system
___________________________________________
dfettero@ahoynet.com
http://www.ahoynet.com/~dfettero/home.html

******************************************************************************
From: rbaker@gas.uug.arizona.edu (RB)
Subject: Cleaning glassware
Date: Wed, 01 Nov 1995 22:52:39 +1000
Organization: The University of Arizona

Hi,
I have a question for you all. I'm going to be measuring low levels of
magnesium ions (in the .1-10 ppb range) and know that I need to have good
standards to do this. I have good, clean water (I think), but need some
help figuring out what glass/plastic ware to use and how to clean it to
get rid of residual ions, minimize leeching of Mg from the bottle, and
minimize ion adhesion to the bottle. If you can let me know what you
recomend using (and maybe even a company that sells such), it would be
appriciated.

Can anyone help?

E-mail responces prefered.

Thanks!

Robert Baker
University of Arizona
rbaker@gas.uug.arizona.edu

******************************************************************************
From: mpotter@uoguelph.ca (Miriam D Potter)
Subject: PCB analysis by HRGS/HRMS
Date: 1 Nov 1995 04:23:15 GMT
Organization: University of Guelph

I would appreciate hearing from anyone who is currently analyzing PCBs by


gas chromatography - high resolution mass spectrometry (10,000+) What
types of columns are being used? How many ions are being monitored for each
homolog group. Are only two ions being monitored for each as I believe
is proposed for USEPA method 1668 or is anyone monitoring loss of Cl, loss
of 2Cl as well. It is also possible to get interferences from PCBs with
higher degrees of chlorination. For example hexas can interfere with the
tetras and pentas on a DB5 column. Monitoring all these ions can quickly
fill up a descriptor group and result in long cycle times. In addition the
instrument can be stretched to the limits since a very large mass range
results for SIR scanning.
Thanks D. Potter (mpotter@uoguelph.ca)

******************************************************************************
From: greg@sciex.com (Greg King)
Subject: Re: APCI of air sensatives
Date: Thu, 02 Nov 1995 13:34:30 -0500
Organization: SCIEX

In article <477rkc$k6s@acmey.gatech.edu>, yhardgb@chem1.chem.dal.ca (G.B.


Yhard) wrote:

> Anyone have any experience in the analyzsis of air sensative compounds by
> APCI/ESI, or know of any references to this?

I have no specific experience but I would think that the nitrogen curtain
gas used on our machines (PE-Sciex API-100/300) would purge most of the
air from the source chamber. Especially if nitrogen is also used as the
nebulizer gas. But this is my opinion only.

--
Greg King
SCIEX
71 Four Valley Drive
Concord, Ontario, Canada
(905) 660-9006 ext 201
greg@sciex.com

******************************************************************************
From: kull@leland.stanford.edu (Alan Kull)
Subject: Re: Simion 3D Ion optics similation available
Date: Thu, 02 Nov 1995 15:21:15 -0800
Organization: Stanford University

In article <477rk1$k6c@acmey.gatech.edu>, pesinc@pluto.njcc.com (PES Inc )


wrote:

> David A. Dahl of Idaho National Engineering Laboratory


> has just released Simion 3D 6.0 for PC

Where can I get a Macintosh version of Simion?

Thanks,
Alan

--
Alan Kull
High Temperature Gasdynamics Laboratory
Stanford University
Stanford, CA 94305
415-723-4182
kull@leland.stanford.edu

******************************************************************************
From: joestroll@aol.com (Joe Stroll)
Subject: Career Opportunity
Date: 3 Nov 1995 09:55:30 -0500
Organization: America Online, Inc. (1-800-827-6364)

Dear Colleagues:

Many thanks for your continuing assistance and guidance with the
identification of a Research Scientist for one of my clients

He/She should have a Ph.d. and 0-4 years of experiences using a G. C. Mass
Spectrometer. Our Client has already installed a H. P. 5980 so experience
with trouble shooting and methods development with this instrumentation
would be a considerable plus.

The successful candidate would have developed and validated GC/MS, HPLC,
and GC methods to separate, quantify, characterize and identify drugs,
xenobiotics, and metabolites in biological samples such as plasma urine,
tissues and feces.
He/She would have performed and supervised human clinical and animal
non-clinical sample analyses to support Pharmacokinetic studies. He/She
should have strong Mass Spent interpretation skills for structural
elucidation. He/She should have strong problem solving abilities in method
development and in operation, maintenance and trouble shooting of GC/MS
and LC/MS . They should have strong computer skills and be proficient with
software programming and lab automation.

If the successful candidate shows they have the ability to supervise and
train, they would have the opportunity to supervise several Post Does and
could be responsible for several additional ancillary Lab facilities.

I am aware you are well situated and are continuously sly contributing to
your successes. You could, however, be cognizant of a colleague who is not
being recognized for their contributions. I would be much in your debt if
you could refer him/her to me for our confidential

With personal regards, I remain.

Very truly yours,

Ray C. Peters
Exec. Vice Pres.
J. Stroll Associates, Inc.
Office-203-227-3688
or FAX 203-222-0180

******************************************************************************
From: G.Spierings@fys.ruu.nl (Geert Spierings)
Subject: Re: {Q}: What's the spectrum of teflon look like?
Date: Fri, 3 Nov 1995 16:30:41 GMT
Organization: Physics and Astronomy, University of Utrecht, The Netherlands

In <470nfg$cem@acmey.gatech.edu> ahq@mail.utexas.edu (Ah-Q The Horrible) writes:

>Hi, All:

>I just wonder if the teflon in the UHV chamber is toasted,


>what would be the peaks' location?
>More like C, O, OH, ... or other stuff?
>Thanks.

>Ah-Q, The Horrible


>ahq@mail.utexas.edu

I've had this once :( ...


The major peak is a mass 20 peak. I guess this would be HF.
Good luck with cleaning you UHV-chamber; you'll need it...

Geert.

--
-----------------------------------------------------------------------
Geert Spierings Debye Institute
Princetonplein 5
spiering@fys.ruu.nl 3584 CC Utrecht, NL
-----------------------------------------------------------------------

******************************************************************************
From: matuszakk@randb.pprd.abbott.com
Subject: Re: HP Andi AIA Support
Date: 3 Nov 95 13:40:43 CST
Organization: Abbott Laboratories

> Subject: Re: HP Andi AIA Support


> Author: Non-HP-kenm (kenm@ion.pprd.abbott.com) at HP-SantaClara,unixgw1
> Date: 11/3/95 8:29 AM
>
> This first header is from the HP MSD off of a printout
> from the MSD of a mass chromatographic trace. The MSD purports
> to output and input into the andi_MS format. If it were
> successful, the second header should cleary look the same.
>
> I completed disagree! The header formats between HP data.ms
> data files and the AIA data files are completely different.
> The AIA data format is a format in which all vendors of MS
> data can fix into. It does not ever promise to "look the same."

What planet are you living on.

I ask again:
What is the point of having input/output into a universal format if the
integrity of the header information is not kept intact?

> The information is kept in tact. The header information for


> AIA is expanded to include other MS vendors header
> information. The resultant header is in a different format.
> Using the HP header command is wrong. I believe that this
> is what you are doing wrong. You should download a AIA
> header reader from CompuServ. The HP header information is
> still their, but the header fields are named differently.

See below

>
> Using the HP header display commands againist a NON HP
> MS data file (AIA) will almost always display confusing
> information. Thus, the need for AIA Header display
> macro.
>

I am not using the HP header display on a non HP MS data file.


It is an HP data file that was output to andi_ms format
and then brought back in. HP is doing a poor job of utilizing
andi_ms if the header is not the same before and after.

I have looked at three other vendors, Finnigan, Extrel FTMS,


and Sciex, and ALL of them can at least write out an andi_MS
data file and read it back in without corrupting the data. Admittedly,
there is a slight variation when brought into another vendor's system.
They are working with us to improve this. However, the Finnigan
software for example does a better job at reading the HP andi_MS
file that the HP software does. More of the header is still intact.

Make no mistake about it the data has been corrupted in this process.
Clearly the "Aquired" line has been garbled. The "Sample Name",
and "Misc Info" lines have been completely lost. The "Instrument" line
and the "Vial Number" lines have also been changed.

The Finnigan ICIS software for example does a better job at reading the
HP andi_MS file than the HP software does. More of the header is still
intact.

It is up to HP to map these fields to a andi_MS field, such that


when they re-import the file they can map the andi_MS fields
back into their own.

As a former MS Product Manager, I would expect no less from any


product under my control. As a now end user operating in a GLP/GMP
environment, I'll go so far as to say it is virtually fraud to say
that HP supports input/output and then garbles the data so badly. An
FDA inspector would have a field day if I showed them the two mass
chromtograms.

Because of this we will not use this feature of the MSD, I will
not recommend the purchase of any other HP products if this is HP's
philosophy on supporting input and output, and I will let anyone know
who asks what HP means by supporting input/output.

Ken M.

******************************************************************************
From: cato.brede@kjemi.uio.no (Cato Brede)
Subject: GC with plasma MS detection
Date: 4 Nov 1995 01:09:08 GMT
Organization: Uninversity of Oslo

Hello

I'd like to discuss the use of plasma mass spectrometric detection in gas
chromatography. Although inductively coupled plasmas (ICP) have been used
in some works, I want to focus on microwave induced plasma (MIP) which is
most common for GC. Other plasmas may also be discussed.

Some questions:

How large is the need for an element selective detection method following
a GC separation? Any special applications?

How useful can it be for non-metal detection (eg. chlorine, bromine,


half-metals, etc)?

Any instrumental problems (lens and focusing, space charge and beem
splitting, etc)?
GC-MIP-MS vs. GC-MIP-AED (atomic emmission detection)
Improved detection limits, increased number of elements pr. scan,
the costs associated with an MSD, etc.

Cato Brede
Dept. of Chemistry
University of Oslo
Norway

******************************************************************************
From: J.Traeger@latrobe.edu.au (John Traeger)
Subject: ANZSMS-15 Abstracts
Date: 6 Nov 1995 04:23:24 GMT
Organization: La Trobe University

The Complete program for the 15th Conference of the Australian and New
Zealand Society for Mass Spectrometry, including abstracts, is now
available
at the ANZSMS WWW homepage
(http://www.latrobe.edu.au/ANZSMS/ANZSMS.html).

John Traeger
School of Chemistry
La Trobe University
Melbourne
Australia

******************************************************************************
From: J.Traeger@latrobe.edu.au (John Traeger)
Subject: Re: Simion 3D Ion optics similation available
Date: 6 Nov 1995 04:26:42 GMT
Organization: La Trobe University

> Where can I get a Macintosh version of Simion?


>
Contact the authors, Richard Morrison & Don McGilvery at either
"Richard.J.Morrison@sci.monash.edu.au" or
"D.McGilvery@sci.monash.edu.au". You might also like to see the
abstract of their recent poster presented at the 15th Conference of the
ANZSMS. It can be found at the ANZSMS WWW site:
"http://www.latrobe.edu.au/ANZSMS/Conferences/ANZSMS15/ANZSMS15Abs/MoP/M
oP-07.html".

John Traeger
School of Chemistry
La Trobe University
Melbourne
Australia
******************************************************************************
From: "K. Murray" <kmurray@emory.edu>
Subject: Re: Simion 3D Ion optics similation available
Date: 6 Nov 1995 15:13:05 GMT
Organization: Emory University

kull@leland.stanford.edu (Alan Kull) wrote:


>
>Where can I get a Macintosh version of Simion?

For MacSimion, contact:

Dr. D. McGilvery or Dr. R. Morrison,


Chemistry Department, Monash University
Clayton, Victoria 3168 Australia
Telephone: (61) (3) 905 4545 / 4573
Fax: (61) (3) 565-4597
Electronic Mail: D.MCGILVERY@SCI.MONASH.EDU.AU

----------

Kermit K. Murray
mailto:kmurray@emory.edu
http://tswww.cc.emory.edu/~kmurray/

******************************************************************************
From: "The S. Lab" <ssinghal@julian.uwo.ca>
Subject: Does LC-Ion Trap MS Exist?
Date: 6 Nov 1995 22:31:43 GMT
Organization: The University of Western Ontario

I have heard that Finnigan MAT now builds an Ion Trap MS with an
LC/electrospray ionization interface. Can anyone confirm whether this is
true?

Also, does Finnigan MAT have a www page?

Thanks,

Rod DeKoter

mailto://dekoter@julian.uwo.ca
The S. Lab.
The University of Western Ontario
London, Ontario
Canada N6A 5C1

******************************************************************************
From: "Gary J. Van Berkel" <vanberkelgj@ornl.gov>
Subject: Re: Does LC-Ion Trap MS Exist?
Date: 7 Nov 1995 00:42:47 GMT
Organization: Lockheed Martin Energy Systems
Yes, it is called the LCQ

******************************************************************************
From: "Jo, kyuBong" <jokbong@saitgw.sait.samsung.co.kr>
Subject: [Q] Can GC/MS analyze H2 and O2 Quantitatively ?
Date: Tue, 07 Nov 1995 05:34:01 -0800
Organization: Samsung Advanced Institute of Technology

In our Lab, we want to know the composition ratio of H2, O2 in


gas phase. We have a GC/MS and other GC detector( TCD, FID, TSD,
ECD). Is it possible to solve our problem ?
I think the first problem is Collecting Sample.
Second problem is how to inject gas.
Third O2 may hurt EI filame.

******************************************************************************
From: bart.devreese@rug.ac.be (bdevrees)
Subject: Re: Does LC-Ion Trap MS Exist?
Date: 7 Nov 1995 09:24:30 GMT
Organization: university gent

Dear Rod,

It's true that Finnigan has an LC-ESI ion trap MS. It's called the LCQ
(they have similarly a GCQ for GC-MS). It's brought recently on the
market, but I suggest you try to find out the Canadian representatives.
I'm afraid that Finnigan has not a web page yet.

Bart Devreese
Bart.devreese@rug.ac.be
University ofGent, belgium

In article <47m97b$oac@acmex.gatech.edu>, "The S. Lab"


<ssinghal@julian.uwo.ca> wrote:

> I have heard that Finnigan MAT now builds an Ion Trap MS with an
> LC/electrospray ionization interface. Can anyone confirm whether this is
> true?
>
> Also, does Finnigan MAT have a www page?
>
> Thanks,
>
> Rod DeKoter
>
> mailto://dekoter@julian.uwo.ca
> The S. Lab.
> The University of Western Ontario
> London, Ontario
> Canada N6A 5C1

******************************************************************************
From: Marcus Macht <macht@eurybia.rz.uni-konstanz.de>
Subject: Re^2: MALDI
Date: 7 Nov 1995 10:25:45 GMT
Organization: Universitaet Konstanz

The adress is :

http://www.vgorganic.co.uk/

I hope I could help you,


yours sincerely

Marcus Macht

******************************************************************************
Date: Tue, 7 Nov 1995 11:11:30 -0500
From: John Callahan <callahan@ccsalpha2.nrl.navy.mil>
Subject: November 13, 1995 Washington Baltimore MSDG meeting

The Mass Spectrometry Discussion Group of the


Greater Washington-Baltimore Area

Next Meeting: Monday, November 13, 1995 at 7:30 pm


(Dinner at Bertha's at 5:00 pm, see below for details)

Location: Johns Hopkins University Medical School, Woods Basic Science


Building, West Lecture Hall, 725 N. Wolfe St., Baltimore, MD
(see http://chem1.nrl.navy.mil/analytical/msdg for map).

Speaker: Dr. Chrys Wesdemiotis, University of Akron

Topic: The Study of Structures and Reactivities by Tandem Mass Spectrometry


Methods

Future MSDG Meetings:


December 11, 1995: Dr. James Laramee, Oregon State University.
Topic: Negative Chemical Ionization Mass Spectrometry in Analytical
Applications

Announcements: For the November 13 meeting, dinner will be at Bertha's in


Fells Point, at 5:00 PM. See our home page for a map.
Directions: From I-95 north or south: Take I-395 exit to downtown.
Turn right on Pratt St. and follow Pratt east until reaching Washington St
(2 miles). Turn left on Washington St. and proceed north to Madison (or
park in the garage at the corner of Washington and Monument, one block south
of Madison). Turn left on Madison and left again on Wolfe. The visitor
entrance is on the northeast corner of Monument and Wolfe Sts.

World Wide Web Home Page: http://chem1.nrl.navy.mil/analytical/msdg


Upcoming schedules, the latest announcement, directions and maps to meeting
sites, and links to other places are included.

eot

John H. Callahan
Code 6113/Chemistry Division
Naval Research Laboratory
Washington, D.C. 20375
202-767-0719, FAX 202-404-8119
John.Callahan@nrl.navy.mil

******************************************************************************
From: Kevin Hart <HartKJ@ornl.gov>
Subject: ETMSDG November meeting
Date: 7 Nov 1995 18:51:48 GMT
Organization: Oak Ridge National Laboratory

The next meeting of the ETMSDG will be held on Thursday, November 16th,
at the Sagebrush Steakhouse on Illinois Avenue in Oak Ridge. The
speaker for this meeting will be Subi Chandra of Cornell University.
Dr. Chandra will present a talk entitled "SIMS Imaging of Ionic and
Molecular Transport at Subcellular Resolution". The meeting will begin
at 6:00pm and dinner will begin at 6:30pm. As usual, the speaker will
begin his presentation after dinner at about 7:30pm. The menu for the
dinner will be: 8 oz. ribeye @$10.95, grilled chicken @ $8.95, shrimp&
rice @$11.95 and grilled chicken salad @ $6.95. Complimentary coffee
will be served and a 15% gratuity will be added to the checks.
Reminder- ETMSDG subsidizes graduate and undergraduate attendees.

Kevin J. Hart
Secretary, ETMSDG

******************************************************************************
From: Kevin Hart <HartKJ@ornl.gov>
Subject: Postdoc/Graduate Student Appointment
Date: 7 Nov 1995 18:57:22 GMT
Organization: Oak Ridge National Laboratory

The Instrumentation Group of the Chemical & Analytical Sciences Division


is interested in talking to persons with experience in mass spectrometry
and programming. Please contact me at HartKJ@ornl.gov for more
information.

******************************************************************************
From: kmj526@chollian.dacom.co.kr (Sunho Kim)
Subject: ESI & MALDI system
Date: 8 Nov 1995 13:39:20 -0500
Organization: KORNET (Korea Telecom)

[This is crossposted from sci.chem.analytical. I know a complete answer


is too long to put here, but I'm sure some of you have suggestions for
books or review articles. - DB]

I am a natural product chemist.


I want to know the difference between ESI-mass and MALDI-mass system.
To determine the molecular weight of unknown low molecular compound,
I heard ESI is more powerful than ESI.
Which one is more powerful to determine the molecular weight?

In fact, I'am a NMR analysist, so I don't have any good idea in mass
analysis.

I'll wait for reply.

******************************************************************************
From: knewland@herbie.unl.edu (KIRK NEWLAND)
Subject: Desalt a protein digest
Date: 8 Nov 1995 21:43:31 GMT
Organization: University of Nebraska--Lincoln

I am looking for a procedure to desalt a protein digest in prep for a


MALDI-tof experiment. Any suggestions?

Presently, I am washing protein pellet in 70% ethanol with little effect.

Thanks,

Kirk Newland

knewland@herbie.unl.edu
University of Nebraska
Mass-Spec lab

******************************************************************************
From: pggreen@cco.caltech.edu (Peter G. Green)
Subject: Re: [Q] Can GC/MS analyze H2 and O2 Quantitatively ?
Date: Wed, 8 Nov 95 22:26:10 GMT
Organization: Caltech (Environmental Engineering Science)

In Article <47nrbi$e7p@acmey.gatech.edu>, "Jo, kyuBong"


<jokbong@saitgw.sait.samsung.co.kr> wrote:
>In our Lab, we want to know the composition ratio of H2, O2 in
>gas phase. We have a GC/MS and other GC detector( TCD, FID, TSD,
>ECD). Is it possible to solve our problem ?

I think either MS or TCD will work. However, many MS's on GC's may
not go down to a mass of 2. (Ours only go to 10, for example.) TCD
simply requires a carrier gas with a different enough thermal
conductivity for your analytes and their concentration. I would
think He should be good.
>I think the first problem is Collecting Sample.

An evacuated glass bulb or metal cannister should work. Beware H2 is


very small and good at leaking.

>Second problem is how to inject gas.

Gas sampling valves are commonly put on GC's. These pass a fixed
volume of gas to the inlet.

>Third O2 may hurt EI filame.


>
I wouldn't expect any problem. If it burns out, you could try a lower
source temperature and/or smaller amount of sample.

-Peter Green (pggreen@cco.caltech.edu)

******************************************************************************
From: jbartmess@utk.edu (John Bartmess)
Subject: Re: [Q] Can GC/MS analyze H2 and O2 Quantitatively ?
Date: Thu, 9 Nov 1995 13:57:14 GMT
Organization: Are You Kidding?

In article <47rhs4$1b0@acmex.gatech.edu> pggreen@cco.caltech.edu (Peter G. Green)


writes:
>In Article <47nrbi$e7p@acmey.gatech.edu>, "Jo, kyuBong"
><jokbong@saitgw.sait.samsung.co.kr> wrote:
>>In our Lab, we want to know the composition ratio of H2, O2 in
>>gas phase. We have a GC/MS and other GC detector( TCD, FID, TSD,
>>ECD). Is it possible to solve our problem ?

>I think either MS or TCD will work. However, many MS's on GC's may
>not go down to a mass of 2. (Ours only go to 10, for example.) TCD
>simply requires a carrier gas with a different enough thermal
>conductivity for your analytes and their concentration. I would
>think He should be good.

Note that H2 peaks are *negative-going* for He as a carrier gas in TCDs,


and O2 peaks are positive (normal). Thus it's easy to tell which peak is H2.

--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=-=--=--=--=--=--=--=-
| John Bartmess | Organic Chem! || my opinions, being antithetical |
| Dept. of Chem., U. of Tennessee || to "big time" football, cannot |
| Knoxville TN 37996-1600 || be those of the Univ. of Tennessee|
| (423) 974-6578 Fax: 974-3454 || "Anions are more fun!" |
| jbartmess@utk.edu http://novell.chem.utk.edu/bartmess.htm |
--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=-=--=--=--=--=--=--=--=-

******************************************************************************
From: Chris Ashwell <ashwell@mgrp.bgsm.wfu.edu>
Subject: ESI-MS of membrane proteins
Date: 9 Nov 1995 15:46:38 GMT
Organization: Wake Forest University

Does anyone have any ideas or comments that might help us in determining
the mass of membrane/hydrophobic proteins in the 20-40kDa range, we have
had consistently inconsistent results. We have had good results and no
results from identical samples. We have been careful to remove
detergent and as many contamanants as possible by reverse phase HPLC.
Any ideas about solvents? We have been using 50% Acetonitrile/Water, 1%
Formic acid. Is chloroform a good idea? Any information would be much
appreciated... thanks

Chris Ashwell
Bowman Gray School of Medicine
Wake Forest University
Departmant of Biochemistry
Medical Center Blvd.
Winston-Salem, NC 27157
(910) 716-0454

******************************************************************************
From: "Gary J. Van Berkel" <vanberkelgj@ornl.gov>
Subject: Re: ESI-MS of membrane proteins
Date: 9 Nov 1995 17:44:18 GMT
Organization: Lockheed Martin Energy Systems

I've seen several abstracts at recent ASMS meetings dealing with such
compounds, and at least one paper published in a mass spec. journal, but
I can't give you a reference. However, a viable solution to your problem
would be to go with a mix of ACN/methylene chloride or chloroform. This
solvent system should dissolve the protein and still spray well.

******************************************************************************
From: dabell@gpu.srv.ualberta.ca (Darcy Abell)
Subject: MALDI of poly-lysine
Date: Thu, 09 Nov 1995 23:50:52 GMT
Organization: University of Alberta

I am trying to get poly-lysine to fly and am having no luck! I also


have some conjugates I will need to test. Any suggestions on possible
matrixes or required concentrations.

Darcy Abell phone: 403 492 0380


Agric, Food & Nutr Sci. email: dabell@gpu.srv.ualberta.ca
University of Alberta www: http://www.ualberta.ca/~dabell/home.html
Edmonton, Alberta, Canada

******************************************************************************
From: roberts@ucunix.san.uc.edu (Michael A. Roberts)
Subject: Re: Desalt a protein digest
Date: 10 Nov 1995 00:09:09 GMT
Organization: University of Cincinnati

In article <47rhre$144@acmex.gatech.edu>,
KIRK NEWLAND <knewland@herbie.unl.edu> wrote:
>I am looking for a procedure to desalt a protein digest in prep for a
>MALDI-tof experiment. Any suggestions?
>
>Presently, I am washing protein pellet in 70% ethanol with little effect.

Why not suspend the pellet and dialyze against some suitable solvent,
ie. distilled water?

BTW, the word "presently" means "soon", as in, "The plane will be
arriving presently." :-)

Hope I helped in both matters. If you cannot pursue the dialysis option,
check out any recent issue of Journal of Protein Science for a method
that might suit your needs.

Cheers,
--
Michael Roberts | "The greatest pleasure I know is to do a
roberts@ucunix.san.uc.edu | good action by stealth, and to have it
| found out by accident."
Speaking only for myself. | -Charles Lamb

******************************************************************************
From: m.vandeweert@chemail.chem.ruu.nl (Weird L. Marcowitz)
Subject: Re: Desalt a protein digest
Date: Fri, 10 Nov 1995 09:12:48 +0100
Organization: Academic Compter Centre Utrecht

In article <47rhre$144@acmex.gatech.edu>, knewland@herbie.unl.edu (KIRK


NEWLAND) wrote:

-> I am looking for a procedure to desalt a protein digest in prep for a


-> MALDI-tof experiment. Any suggestions?
->
-> Presently, I am washing protein pellet in 70% ethanol with little effect.
->
-> Thanks,
->
-> Kirk Newland
->
-> knewland@herbie.unl.edu
-> University of Nebraska
-> Mass-Spec lab

You might try to filter the salt off. There are many different centrifuge
filters which can be placed in a eppendorf centrifuge. You can call Amicon
at 1-800-343-1397 for information.
Another possibility is a chromatographic separation using volatile buffers
like NH4AC.

Hope this helps.


Marco
--
"Real knowledge is to know the extent of one's ignorance"

Confucius

******************************************************************************

from Thetis.ZEDAT.FU-Berlin.DE (160.45.10.3) with smtp


id <m0tDufG-000dUYC>; Fri, 10 Nov 95 15:42:46 +0100 (MET)
id <9511101442.AA05914>; Fri, 10 Nov 95 15:42:28 +0100
From: strecker@chemie.fu-berlin.de (Andreas Strecker)
Subject: Re: ESI-MS of membrane proteins
Date: Fri, 10 Nov 95 20:41:38 GMT
Organization: FU Berlin

In article <47ta56$9s3@acmey.gatech.edu>,
Chris Ashwell <ashwell@mgrp.bgsm.wfu.edu> wrote:
>
>Does anyone have any ideas or comments that might help us in determining
>the mass of membrane/hydrophobic proteins in the 20-40kDa range, we have
>had consistently inconsistent results. We have had good results and no
>results from identical samples. We have been careful to remove
>detergent and as many contamanants as possible by reverse phase HPLC.
>Any ideas about solvents? We have been using 50% Acetonitrile/Water, 1%
>Formic acid. Is chloroform a good idea? Any information would be much
>appreciated... thanks
>
Hi Chris!

Unfortunately, MS still is an alchemistical problem, so you just have to try.


But chloroform is well worth a try, we have had good results with it. Another
possibility is trifluoroethanol in various mixtures, this really has done a
great job on some of our very hydrophobic samples.

Hope this helps!

Andreas

******************************************************************************
From: madi@biocell.fundp.ac.be (Marc DIEU)
Subject: Re: ESI-MS of membrane proteins
Date: Fri, 10 Nov 1995 15:44:10 -0600
Organization: F.U.N.D.P - Cellular Biochemistry

In article (Dans l'article) <47ta56$9s3@acmey.gatech.edu>, Chris Ashwell


<ashwell@mgrp.bgsm.wfu.edu> wrote (icrivait) :

> Does anyone have any ideas or comments that might help us in determining
> the mass of membrane/hydrophobic proteins in the 20-40kDa range, we have
> had consistently inconsistent results. We have had good results and no
> results from identical samples. We have been careful to remove
> detergent and as many contamanants as possible by reverse phase HPLC.
> Any ideas about solvents? We have been using 50% Acetonitrile/Water, 1%
> Formic acid. Is chloroform a good idea? Any information would be much
> appreciated... thanks
>
> Chris Ashwell
> Bowman Gray School of Medicine
> Wake Forest University
> Departmant of Biochemistry
> Medical Center Blvd.
> Winston-Salem, NC 27157
> (910) 716-0454

There is a good article:


"Analysis of hydrophobic proteins and peptides by electrospray ionisation
mass spectrometry"
from P.A. Schindler, A. Van Dorsselaer...
in Analytical Biochemistry 213, 256-263 1993

--
Marc DIEU
Laboratory of Cellular Biochemistry,
Facultis Universitaires ND de la Paix,
61, rue de Bruxelles,
B-5000 Namur (Belgium).
Fax: ++/32/81/72.41.35.
Email: madi@biocell.fundp.ac.be

******************************************************************************
From: <100024.660@compuserve.com>
Subject: Finnigan LC/Ion Trap
Date: 10 Nov 1995 16:24:13 GMT
Organization: CompuServe Incorporated

"The S. Lab" <ssinghal@julian.uwo.ca> writes:


>I have heard that Finnigan MAT now builds an Ion Trap MS with an
>LC/electrospray ionization interface. Can anyone confirm whether this is
>true?
>
>Also, does Finnigan MAT have a www page?
>
>Thanks,
>
>Rod DeKoter
>
>mailto://dekoter@julian.uwo.ca
>The S. Lab.
>The University of Western Ontario
>London, Ontario
>Canada N6A 5C1
>
>
>
Dear Rod,
Yes Finnigan Produces a ESI/APCi Ion Trap.
The LCQ was introduced at ASMS this year, I will make sure a Canada sales rep
contacts you
and sends some broschures.
The Finnigan WWW page is being setup right now, but I don't know when it will be on
the Internet.
Best Regards

Per-Anders Samuelsson
Finnigan MAT AB
Sweden

******************************************************************************
From: palmenj@govonca.gov.on.ca (J-P Palmentier)
Subject: Re: Does LC-Ion Trap MS Exist?
Date: 10 Nov 1995 17:44:40 GMT
Organization: Government of Ontario

The LCQ is a new benchtop mass spectrometer for LC/MS, LC/MS/MS and
LC/MS^n. The system consists of an API source, for either ESI or APCI,
coupled to a high performance ion trap mass spectrometer. The API source
allows direct coupling of HPLC or HPCE systems at 1 uL/min to over 1
mL/min flow rates. The mass range is 30-2000 m/z and this can be scanned
at over 3 scans/sec at unit mass resolution across the entire mass range.
Sensitivity in full scan mode is at least an order of magnitude better
than typical quadrupole systems in MS/MS mode. In addition, the system
may be scanned at higher mass resolution over a narrow mass range.

You could contact Ian Jardine at Finnigan MAT, 355 River Oaks parkway,
San Jose, CA 95134.

He just gave a talk on Wednesday (Nov 8th) at MOEE LSB in Toronto on this
subject.

J-P

******************************************************************************
Date: Fri, 10 Nov 1995 20:13:34 +0000 (GMT)
From: ddxdd@IMAP1.ASU.EDU
Subject: Re: MALDI of poly-lysine
Organization: daves not here

Darcy Abell (dabell@gpu.srv.ualberta.ca) wrote:


: I am trying to get poly-lysine to fly and am having no luck! I also
: have some conjugates I will need to test. Any suggestions on possible
: matrixes or required concentrations.

we shot some samples of poly-lysine two weeks ago and had no


problem on our linear machine. sample concentrations were approximately
0.1 mg/mL and were added 1:1 with saturated DHB matrix on the probe
tips. approx. 0.5 uL of saturated NaCl solution was added to enhance
polymer ionization. laser wavelength was 355 nm, and we were looking
at positive ions with 30 kV extraction.

i am not sure the above conditions will work with the conjugates
you have, but they are worth a try.
-dave dogruel
arizona state university
dept. of chemistry and biochemistry
biological mass spectrometry laboratory

******************************************************************************
Date: Fri, 10 Nov 1995 20:30:16 +0000 (GMT)
From: ddxdd@IMAP1.ASU.EDU
Subject: Re: Desalt a protein digest
Organization: daves not here

Michael A. Roberts (roberts@ucunix.san.uc.edu) wrote:


: In article <47rhre$144@acmex.gatech.edu>,
: KIRK NEWLAND <knewland@herbie.unl.edu> wrote:
: >I am looking for a procedure to desalt a protein digest in prep for a
: >MALDI-tof experiment. Any suggestions?
: >
: >Presently, I am washing protein pellet in 70% ethanol with little effect.

: Why not suspend the pellet and dialyze against some suitable solvent,
: ie. distilled water?

a new little trick we have used is to add a small amount of ion


exchanger (solid-phase) to the protein solution and agitate for a short
time. the entire volume (we deal with ~100 uL samples) is then pipetted
onto the back (see crude diagram below) of a non-sealing filtered micro-
pipettor tip. this is then placed in a micro-centrifuge tube and spun
down for a minute or so. the ion exchanger is retained on the filter,
and the protein solution is collected in the micro tube.

| |
| |
| | | |
| | .. | |
| | .. | | . = ion exhange beads
| |||||| | ||| = filter
| |||||| |
| | | |
| \ / |
| || |
| || |
\ `' /
\ /
\/

-dave dogruel
arizona state university
dept. of chemistry and biochemistry
biological mass spectrometry laboratory
******************************************************************************
From: pggreen@cco.caltech.edu (Peter G. Green)
Subject: Re: Does LC-Ion Trap MS Exist?
Date: Thu, 9 Nov 95 17:27:26 GMT
Organization: Caltech (Environmental Engineering Science)

>I have heard that Finnigan MAT now builds an Ion Trap MS with an
>LC/electrospray ionization interface. Can anyone confirm whether this is
>true?
>
I got their brochure introducing the new 'LCQ' just a few weeks ago.
US phone # 408-433-4800

>Also, does Finnigan MAT have a www page?

Probably just starting one, but I haven't heard of an URL.


>
>Thanks,
>
>Rod DeKoter
>
>mailto://dekoter@julian.uwo.ca
>The S. Lab.
>The University of Western Ontario
>London, Ontario
>Canada N6A 5C1
>
>
>
-Peter Green (pggreen@cco.caltech.edu)

******************************************************************************
From: James Speakman <Jim.Speakman@instruments.fisons.co.uk>
Subject: Connection trouble
Date: Tue, 14 Nov 1995 14:47:28 -0800

I seem to have great difficulty in finding you on the net


sometimes. Do you have limited 'opening times'?
Regards
Jim Speakman.

******************************************************************************
From: @chemistry.gatech.edu, Frank_Hollis-1%notes@sb.com (Triple Quadrophenic)
Subject: Re: Does LC-Ion Trap MS Exist?
Date: 14 Nov 1995 14:58:22 GMT
Organization: SB

In article <47nrd6$ebs@acmey.gatech.edu>, bart.devreese@rug.ac.be (bdevrees) says:


>
>Dear Rod,
>
>It's true that Finnigan has an LC-ESI ion trap MS. It's called the LCQ
>(they have similarly a GCQ for GC-MS). It's brought recently on the
>market, but I suggest you try to find out the Canadian representatives.
>I'm afraid that Finnigan has not a web page yet.
>
>Bart Devreese
>Bart.devreese@rug.ac.be
>University ofGent, belgium
>

The GCQ is, indeed, available right now. The LCQ is a different
matter. As far as I know it's not available for general purchase
yet.

Frank J Hollis_________________________________________
Mass Spec. | |
SB Pharm | The Sinclair C5 of the |
Welwyn | Information Superhighway |
Herts. UK. |_______________________________________|
01438 782551 All opinions my own (So I'm told)
Frank_Hollis-1%notes@sb.com or Hollis_F%frgen.dnet@sb.com

******************************************************************************
From: <Unknown> (Ilse Vandecandelaere)
Subject: question on HPLC-MS
Date: 15 Nov 1995 14:39:47 GMT
Organization: Katholieke Universiteit Leuven

Hello,

My HPLC-chromatogram shows some additional peaks for which I have no explanation


yet,
and I have reason to believe they are no artefacts. As I want to know which
products
account for these peaks I tried comparing retention times of possible products,
however
without any success.
Now I wonder whether HPLC-MS would be of any help, especially as I expect the
compounds
resposible for the additional peaks to be of low molecular weight (like acetate or
acetyl-
acetonate, i.e. 1 100 Mr).
Has anyone any suggestions?

Thanks,

Ilse

P.S. the solvent I use is 9:1 10 mN H2SO4:acetonitrile, but


9:1 0.01 M TFA:acetonitrile will do as well

P.P.S. The compound I'm studying should be something like La(CH3COCHCOCH3)(CH3COO)


(X)
which is likely to give La(OH)3 + CH3COCH2COCH3 + CH3COOH + HX in solution;
I'm looking for HX
******************************************************************************
From: dabell@gpu.srv.ualberta.ca (Darcy Abell)
Subject: Re: MALDI of poly-lysine
Date: Wed, 15 Nov 1995 16:22:49 GMT
Organization: University of Alberta

ddxdd@IMAP1.ASU.EDU wrote:
> we shot some samples of poly-lysine two weeks ago and had no
>problem on our linear machine. sample concentrations were approximately
>0.1 mg/mL and were added 1:1 with saturated DHB matrix on the probe
>tips. approx. 0.5 uL of saturated NaCl solution was added to enhance
>polymer ionization. laser wavelength was 355 nm, and we were looking
>at positive ions with 30 kV extraction.

What size of polymer was this? I am running with poly-lysine of ave


mol wt of 56 000. Thanks for the advice, I am going to give these
conditions a try this morning. I didn't know about adding NaCl, maybe
that will help.

Darcy Abell phone: 403 492 0380


Agric, Food & Nutr Sci. email: dabell@gpu.srv.ualberta.ca
University of Alberta www: http://www.ualberta.ca/~dabell/home.html
Edmonton, Alberta, Canada

******************************************************************************
From: Michael Glocker <glocker@eurybia.rz.uni-konstanz.de>
Subject: Re: MALDI of poly-lysine
Date: 15 Nov 1995 16:13:46 GMT
Organization: I DID NOT CONFIGURE MY ORGANIZATION IN MY NEWSREADER

Dear Dave,

I read your note concerning the poly-lys maldi. We would also like to try your
method for a poly-lys of approx. 20 kDa. What was the MW of your poly-lys? Do
you have any experience with heterogeneity of the poly-lys and signal response?

Thanks for your help,

Sincerely, Michael

******************************************************************************
From: tgamble@TRENTU.CA (TANYA- THE STRESS CASE)
Subject: SiEt4
Organization: Trent University, Peterborough
Date: Wed, 15 Nov 1995 19:37:56 GMT

In the article by Louris et al. in Anal. Chem. 59(13) 1987, the energy transferred
to tetraethylsilane during CAD was discussed. The experiments were performe on the
Finnigan MAT model 700 ion trap detector. The article failed to mention the
ionization

energy that they used. Does anyone know the energy that they used?
Thanks in advance,
Tanya

******************************************************************************
From: ocean1@phoenix.net (ocean1)
Subject: Re: [Q] Can GC/MS analyze H2 and O2 Quantitatively ?
Date: Wed, 15 Nov 1995 23:12:58 GMT
Organization: Phoenix Data Systems

pggreen@cco.caltech.edu (Peter G. Green) wrote:

>In Article <47nrbi$e7p@acmey.gatech.edu>, "Jo, kyuBong"


><jokbong@saitgw.sait.samsung.co.kr> wrote:
>>In our Lab, we want to know the composition ratio of H2, O2 in
>>gas phase. We have a GC/MS and other GC detector( TCD, FID, TSD,
>>ECD). Is it possible to solve our problem ?

>I think either MS or TCD will work. However, many MS's on GC's may
>not go down to a mass of 2. (Ours only go to 10, for example.) TCD
>simply requires a carrier gas with a different enough thermal
>conductivity for your analytes and their concentration. I would
>think He should be good.

>>I think the first problem is Collecting Sample.

>An evacuated glass bulb or metal cannister should work. Beware H2 is


>very small and good at leaking.

>>Second problem is how to inject gas.

>Gas sampling valves are commonly put on GC's. These pass a fixed
>volume of gas to the inlet.

>>Third O2 may hurt EI filame.


>>
>I wouldn't expect any problem. If it burns out, you could try a lower
>source temperature and/or smaller amount of sample.

>-Peter Green (pggreen@cco.caltech.edu)

I am quite confident that I can help you with


the problem of determining H2 and O2 by GC/MS.
I have made these determinations down to low ppb
levels and can either direct you or actually do the
analyis (depending on the matrix).
Michael Sommer (ocean1@phoenix.net) or 713-941-7164

******************************************************************************
From: tgamble@TRENTU.CA (TANYA- THE STRESS CASE)
Subject: SiEt4
Organization: Trent University, Peterborough
Date: Wed, 15 Nov 1995 21:05:34 GMT

I am reposting this message due to some editing problems.


In the article by Louris et al., Anal. Chem. 59(13), 1987
the energy transfer to tetraethylsilane during CAD was
discussed. The experiments were performed on a Finnigan
MAT model 700 ion trap detector. The article failed to
mention the ionization energy that they used. Does anyone
know this information?

Thanks in advance
Tanya

******************************************************************************
From: Nahum Gat <oksi@cerfnet.com>
Subject: TechExpo New Classification Schedule for Industry, Science, Engineering,
and Technology.
Date: Wed, 15 Nov 1995 22:48:56 -0800
Organization: CERFnet

TechExpo New Classification Schedule for Industry, Science,


Engineering, and Technology.

At present time the SIC code is used for the classification of


industry. That code does not provide sufficient distinction for
many non-traditional, and hi-tech industries. The DTIC schedule
is used for the classification of technology areas of interest
to the U.S. DoD. The Library of Congress book classification
schedule is used exclusively for books, and also does not
explicitly cover recent advances and novel technologies.

TechExpo has a need to classify industry, engineering and


life/medical sciences using a single schedule. There are of
course many ways to slice the pie, and it would be impossible to
satisfy everyone's desires. However, a logical classification
schedule can be formed. The idea is not to form too many
categories and sub-categories as to differentiate
subspecialties, yet to have enough categories to distinguish,
where necessary, among diverse fields. The schedule is not
unique, and a company may be assigned more than a single
classification code.

The draft schedule developed by TechExpo contains 33 main


categories, with sub-categories in each. The draft is
incomplete in some categories, and TechExpo is seeking comments
from industry wide, science and technology communities. When
completed, the schedule will be used for the classification of
postings (using search engines and databases) at the TechExpo
WWW site in fields such as: hi-tech companies, science and
technology conferences, magazines, books, etc. Users will be
able to search for items based on the specific classifications
of the postings.

The draft classification schedule may be viewed and downloaded


at URL:
http://www.techexpo.com/survey

This notice is posted to many of the sci.* newsgroups because of


the general interest in the topic, and as a way to solicit
expert advice from those individuals in the specific fields of
science and technology (comments from librarians would be
specially appreciated). I hope that moderated group will also
accept this posting.

I feel that by posting this notice I'm stepping into a


mine-field, but I'm wearing my flak jacket. So go ahead and let
me know what you think.

Thanks,

Nahum Gat, Ph.D.


nahum@techexpo.com

******************************************************************************
From: john@wd1v.MV.COM (John Seney)
Subject: Digital Scope.FAQ - How to Get
Organization: MV Communications, Inc.
Date: Thu, 16 Nov 1995 10:38:41 GMT

IF... you want the complete version


of this Digital Scope.FAQ file sent
to you automatically...............
send me (john@wd1v.mv.com).........
an EMAIL where the subject contains
the text "subscribe scope.faq".....

or go to the WWW page listed at the


end of this file...................

This file contains the first "page"


to give you a sense for it.........

\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\

FALL / 1995 DIGITAL SCOPE.FAQ - VERSION 2.00

:::::::::::::::::::::::::::::::::::::
::Date/Time | O O ::
:: /\ | ::
:: / \ | O O ::
:: / \ /\ | ::
::__/ \ / \ /`| O O ::
:: \ / \/ | ::
:: \ / | O O ::
::1.5 GHz BW \/ 10 GS/s |________::
::________________________|A B C D ::
:: rise 1.5 ns | x x x ::
:: fall 4.9 ns | x x x ::
::_________________________________::
::(*) (*) (*) (*) (*) (*) ::
:::::::::::::::::::::::::::::::::::::
::: :::

Dear Technologist(s):

This Digital Storage Scope.FAQ file contains many (but not all) of your
answers to the more "Frequently Asked Questions" re: Digital Storage
Oscilloscopes (DSOs).

The answers and suggestions come from > a decade of my experience as a


DSO sales engineer in Boston, MA. The opinions are mine and represent no
company or service - they are meant simply to be helpful, generic, and easy
to understand.

Thanks to the hundreds of responses to the earlier versions of this FAQ.

Feel free to contact me anytime (john@wd1v.mv.com) if you have additional


questions or comments.

If you want the next version of this file sent to you automatically, send an
EMAIL where the subject field contains the text "subscribe scope.faq".

\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\
KEY ISSUES REVIEWED IN THIS FAQ (in order of appearance)

* DSO INDUSTRY TRENDS (Whats happening in DSO technology this year?)

* DSO FORM FACTORS (What types of DSOs are there?)

* PRIMARY DSO FUNCTIONS (What can DSOs actually do?)

* COMPARISONS (How can I best compare various models)

* APPLICATIONS (What are the most common DSO applications?)

* ADCs (What speed do I really need on each channel?)

* BANDWIDTH & TRIGGER (What numbers and functions are right?)

* ARCHIVAL & MEMORY (How fast, how deep, and can I get more?)

* DISPLAYS (What am I really looking at?)

* MEASUREMENTS (How much is my signal changing over time?)

* DIGITAL SIGNAL PROCESSING (How can I obtain more useful information?)

* DEMOS & PURCHASING (How can I see and get the DSO I really need?)

Best regards,

John D. Seney |_|_|_|_| john@wd1v.mv.com


144 Pepperidge Dr. |_| |_| WWW Macnet http://www.mv.com/ipusers/wd1v
Manchester, NH 03103-6150 |_|_ _|_| wd1v@wb1dsw.nh.usa.noam
(H)603-668-1096 | | | | | wd1v@wd1v.ampr.org [44.52.7.21]
LeCroy Corporation Test & Measurment Sales Engineering
Serving NE Mass., NH, and ME WWW http://www.lecroy.com
(O) 800-553-2769 (F) 603-627-1623 (P) 800-SKYPAGE #5956779

Opinions are my own, including Digital Storage Scope.FAQ


Obtain the latest Scope.FAQ automatically!
EMAIL john@wd1v.mv.com w/ Sj: "subscribe scope.faq" (or)
WWW http://beam.slac.stanford.edu/www/library/w3/dso.html

******************************************************************************
From: v.d.drift@ams.chem.ruu.nl (Koen van der Drift)
Subject: Postdoc wanted in Utrecht, The Netherlands
Date: Thu, 16 Nov 1995 13:58:13 +0100
Organization: Utrecht University

EU Human Capital and Mobility programme

A one-year post-doctoral position is available immediately in the


Department of Mass Spectrometry, Bijvoet Center for Biomolecular Research,
Universiteit Utrecht, The Netherlands. The EU human capital and mobility
network 3Structure and function of carbohydrate chains of glycoproteins2
is a collaboration between five european labs and focuses on studies of
the structures and functions of the oligosaccharides of allergenic
glycoproteins and tumour-related mucin-type glycoproteins. The research
carried out in Utrecht will involve the mass spectrometric structural
analysis of oligosaccharides and glycopeptides derived from the
glycoproteins. The lab is very well equipped with a four sector tandem
mass spectrometer, a two sector instrument, a single quadrupole GC-MS, and
a quadrupole instrument dedicated to electrospray ionisation work.

Applicants should have a Ph.D. or equivalent qualification and experience


in mass spectrometry. The position is open only to nationals of an EU
member state, with the exception of the Netherlands. Inquiries may be
addressed to:

Dr. Jane Thomas-Oates,


Department of Mass Spectrometry,
FAFC Wentgebouw,
Sorbonnelaan 16,
3584 CA Utrecht,
The Netherlands.

Fax: +31-30-2518219.

E-mail: j.thomas-oates@ams.chem.ruu.nl

******************************************************************************
From: v.d.drift@ams.chem.ruu.nl (Koen van der Drift)
Subject: Postdoc available in Utrecht, The Netherlands
Date: Thu, 16 Nov 1995 15:10:40 +0100
Organization: Utrecht University

EU Human Capital and Mobility programme


A one-year post-doctoral position is available immediately in the
Department of Mass Spectrometry, Bijvoet Center for Biomolecular Research,
Universiteit Utrecht, The Netherlands. The EU human capital and mobility
network 3Structure and function of carbohydrate chains of glycoproteins2
is a collaboration between five European labs and focuses on studies of
the structures and functions of the oligosaccharides of allergenic
glycoproteins and tumour-related mucin-type glycoproteins. The research
carried out in Utrecht will involve the mass spectrometric structural
analysis of oligosaccharides and glycopeptides derived from the
glycoproteins. The lab is very well equipped with a four sector tandem
mass spectrometer, a two sector instrument, a single quadrupole GC-MS, and
a quadrupole instrument dedicated to electrospray ionisation work.

Applicants should have a Ph.D. or equivalent qualification in mass


spectrometry. The position is open only to nationals of an EU member
state, with the exception of the Netherlands. Inquiries may be addressed
to:

Dr. Jane Thomas-Oates,


Department of Mass Spectrometry,
FAFC Wentgebouw,
Sorbonnelaan 16,
3584 CA Utrecht, The Netherlands.

Fax: +31-30-2518219.
E-mail j.thomas-oates@ams.chem.ruu.nl

******************************************************************************
From: v.d.drift@ams.chem.ruu.nl (Koen van der Drift)
Subject: Postdoc available in Utrecht, The Netherlands
Date: Thu, 16 Nov 1995 15:36:21 +0100
Organization: Utrecht University

EU Human Capital and Mobility programme

A one-year post-doctoral position is available immediately in the


Department of Mass Spectrometry, Bijvoet Center for Biomolecular Research,
Universiteit Utrecht, The Netherlands. The EU human capital and mobility
network 3Structure and function of carbohydrate chains of glycoproteins2
is a collaboration between five European labs and focuses on studies of
the structures and functions of the oligosaccharides of allergenic
glycoproteins and tumour-related mucin-type glycoproteins. The research
carried out in Utrecht will involve the mass spectrometric structural
analysis of oligosaccharides and glycopeptides derived from the
glycoproteins. The lab is very well equipped with a four sector tandem
mass spectrometer, a two sector instrument, a single quadrupole GC-MS, and
a quadrupole instrument dedicated to electrospray ionisation work.

Applicants should have a Ph.D. or equivalent qualification in mass


spectrometry. The position is open only to nationals of an EU member
state, with the exception of the Netherlands. Inquiries may be addressed
to:

Dr. Jane Thomas-Oates,


Department of Mass Spectrometry,
FAFC Wentgebouw,
Sorbonnelaan 16,
3584 CA Utrecht, The Netherlands.

Fax: +31-30-2518219.
E-mail j.thomas-oates@ams.chem.ruu.nl

******************************************************************************
From: "Gary J. Van Berkel" <vanberkelgj@ornl.gov>
Subject: Re: SiEt4
Date: 17 Nov 1995 16:22:41 GMT
Organization: Lockheed Martin Energy Systems

Given the way in which electrons are injected into the trap their energy
is not easily controlled. The energies are affected by the frequency and
amplitude of the rf applied to the ring electrode. However, I believe
some work out of Rick Yost's group showed an average energy around 50 eV.

******************************************************************************
Date: Fri, 17 Nov 1995 10:37:18 -0600
From: Kerry Peru <peruk@nhrisv.nhrc.sk.doe.ca>
Subject: Trio 1000 quantitation problems

We purchased a Fisons Trio 1000 as a routine analytical instrument


for the quantitation of pesticides, volatiles etc.
Our calibrations are based on response factor of the external
standard (analyte) and a dueterated internal standard (IS). A curious
phenomenon is appearing with the regards to an apparent sensitivity
enhancement of the analyte and IS while analysing real samples. The areas,
for example, of the IS and analyte are typically 3 times greater and in some
cases up to 15 times when analysing a sample compared to the analytical
standards made in pure solvent. Blank river water samples taken on the same
day as the samples of interest show no ion interference at the RT or the QM
of the IS, the same holds true for the analyte. Using the response factor
seems to compensate, but I am concerned that this dramatic increase in
detector output may not be linear therefore I would still like an
explanation and hopefully some remedial suggestions. In addition I would
like to know if this phenomenon is unique only to me.
Kerry M. Peru
Environment Canada
11-Innovation Blvd,
Saskatoon, Sask.
ph: 306-975-4206
fax: 306-975-5143
e-mail: PeruK@nhrisv.nhrc.sk.doe.ca

******************************************************************************
From: Richard Civitate <rcivi@cts.com>
Subject: Great New Source for Used Scientific Equipment
Date: 17 Nov 1995 20:12:12 GMT
Organization: Scientific Equipment Exchange, Inc.
Scientific Equipment Exchange, Inc. announces its new WWW site at:
http://www.cts.com/browse/rcivi If you are considering a purchase,
or have equipment for sale, you shouldn't pass up this site! Visit it
now! Then make it a Bookmark. See you there.

******************************************************************************
From: forensic@unix.asb.com (charles salerno)
Subject: Hewlett Packard GC/MS wanted!!
Organization: ASB
Date: Sat, 18 Nov 1995 00:25:34 GMT

Looking for a Hewlett Packard GC/MS. If you have a GC/MS that you are willing
to part with please email me.

Thank you,
Charles Salerno
Forensic Associates

forensic@unix.asb.com

******************************************************************************
Date: Mon, 20 Nov 1995 12:16:52 MET
From: PETER KOFEL <KOFEL@ioc.unibe.ch>
Cc: KOFEL@ioc.unibe.ch
Subject: Postdoctoral Position

A postdoctoral position is open for a Mass Spectrometry specialist in the


Organic Mass Spectrometry group at the University of Bern, Switzerland.
Information about current research can be found at our WWW homepage:
http://ubeclu.unibe.ch/ioc/oms/omshome.html
Interested candidates please respond to:

Prof. Dr. U.P. Schlunegger


Institut fuer organische Chemie, Universitaet Bern
Freiestrasse 3, CH - 3012 Bern, Switzerland
Phone : +41 31 6314306
Fax : +41 31 6313421
e-mail : schlunegger@ioc.unibe.ch

******************************************************************************
Date: Mon, 20 Nov 1995 19:38:39 +0000 (GMT)
From: ddxdd@IMAP1.ASU.EDU
Subject: maldi of poly-lys
Organization: daves not here

Subject: Re: MALDI of poly-lysine


Date: 15 Nov 1995 13:18:18 -0500
Michael Glocker <glocker@eurybia.rz.uni-konstanz.de> writes:

>I read your note concerning the poly-lys maldi. We would also like to try
>your method for a poly-lys of approx. 20 kDa. What was the MW of your
>poly-lys? Do you have any experience with heterogeneity of the poly-lys
>and signal response?

the poly-lysine we were working with was only 3-4 kDa, with a
distribution extending from ~3100 to ~4300 Da. for a sample with higher
MW, i would try the 2,5-DHB matrix first. if that matrix did not give
decent signal, trans-3-indoleacrylic acid or HABA might work. as i
previously mentioned, sometimes it works (for us) to add a bit of
sodium or cesium salt to aid ionization of the polymer. some polymers
require a slightly higher laser fluence before the onset of good
signal.
we have not tried to shoot a heterogenous mixture of poly-lys
with another compound. i have been able to get decent signal of a
synthetic polymer/protein mixture using the DHB matrix, however.
good luck.

dave dogruel
arizona state university
dept. of chemistry and biochemistry
biological mass spectrometry laboratory

******************************************************************************
From: forensic@unix.asb.com (charles salerno)
Subject: Kewaunee Fume Hoods For Sale
Organization: ASB
Date: Mon, 20 Nov 1995 23:36:18 GMT

I have for sale :

(3) 6 foot Kewaunee Fume hoods


(1) 8 foot Kewaunee Fume hood

* Hoods contain vented cabinets ( for chemicals storage )


* Like new ( 3 years old )
* Each contain's Water, Gas and Electric Fixtures

Please contact

Charles Salerno
Forensic Associates

Email forensic@unix.asb.com
http://www.asb.com/com/forensic/home.html

******************************************************************************
From: louris@netcom.com (John N. Louris)
Subject: Re: SiEt4
Organization: Teledyne Electronic Technologies
Date: Tue, 21 Nov 1995 20:06:04 GMT

In article <48dj6e$2lp@acmey.gatech.edu> tgamble@TRENTU.CA writes:


>In the article by Louris et al. in Anal. Chem. 59(13) 1987, the energy
>transferred to tetraethylsilane during CAD was discussed. The experiments
>were performed on the Finnigan MAT model 700 ion trap detector. The
>article failed to mention the ionization energy that they used. Does
>anyone know the energy that they used?
>
>Thanks in advance, Tanya
>
>

The paper described a new instrument that was built using the electronic
components from an ITD 700, additional electronic components, a modified
trap assembly, and a new vacuum system. The ionization circuit was not
modified and the method of ionization was the same as in the ITD 700:
Electrons were produced outside of the trapping volume and were injected
into the trap with about twelve volts of energy. (The end electrodes
are at ground and the filament is at minus twelve volts.)

The actual electron energy depends on the energy that a particular


electron has received from the rf field within the trap which depends on
the phase at which the electron entered the trap, the time since the
electron entered the trap, and the rf voltage.

John Louris

******************************************************************************
Date: Tue, 21 Nov 1995 22:26:08 -0300 (GRNLNDST)
From: "Ivan P. de Arruda Campos" <ipdacamp@usp.br>
Subject: Re: Re: Does LC-Ion Trap MS Exist?
In-Reply-To: <76EFCC661C@novell.chem.utk.edu>

In article <47nrd6$ebs@acmey.gatech.edu>, bart.devreese@rug.ac.be


(bdevrees) says:
> }Dear Rod,
> }
> }It's true that Finnigan has an LC-ESI ion trap MS. It's called the LCQ
[...]
> }Bart Devreese
> }Bart.devreese@rug.ac.be
> }University ofGent, belgium
>
> The GCQ is, indeed, available right now. The LCQ is a different
> matter. As far as I know it's not available for general purchase
> yet.
>
> Frank J Hollis_________________________________________
> Frank_Hollis-1%notes@sb.com or Hollis_F%frgen.dnet@sb.com

Well, as far as I know, Varian also has an HPLC-MS instrument,


using an ion-trap, which should already be in the market, or
just about to. Their GC-MS ion-trap is much better than Finnegans',
IMHO, so it cannot hurt to check also with the Varian representative.
Hope this helps. Good luck!
Ivan.
---------------------------------------------------------------------+
Dr. Ivan P. de Arruda Campos --- Post-Doctoral Researcher |
Laboratorio de Fotoquimica (B12S) Instituto de Quimica, |
Universidade de Sao Paulo, Av. Prof. Lineu Prestes, 748 |
Cx. Postal 26077 - cep 05599-970 - S. Paulo - SP - BRAZIL |
FAX +55-11-65-3002 tels. +55-11-818-3814 or +55-11-818-3877 |
---------------------------------------------------------------------+
DISCLAIMER: My opinions are my own, and do not necessarily coincide |
with those of the Institution in which I do my research!!! |
---------------------------------------------------------------------+
ARS LONGA, VITA BREVIS... |
---------------------------------------------------------------------+

******************************************************************************
From: pocasip@ix.netcom.com (David Mintzer )
Subject: Calibration
Date: 22 Nov 1995 00:46:24 GMT
Organization: Netcom

Greetings,

I wonder what kind of effort is necessary to really tune the MS for


calibration. I may have some sexy tips to bring to the party.

David Mintzer
dmintzer@ix.netcom.com

******************************************************************************
Date: Tue, 21 Nov 1995 22:26:08 -0300 (GRNLNDST)
From: "Ivan P. de Arruda Campos" <ipdacamp@usp.br>
Subject: Re: Re: Does LC-Ion Trap MS Exist?
In-Reply-To: <76EFCC661C@novell.chem.utk.edu>

In article <47nrd6$ebs@acmey.gatech.edu>, bart.devreese@rug.ac.be


(bdevrees) says:
> }Dear Rod,
> }
> }It's true that Finnigan has an LC-ESI ion trap MS. It's called the LCQ
[...]
> }Bart Devreese
> }Bart.devreese@rug.ac.be
> }University ofGent, belgium
>
> The GCQ is, indeed, available right now. The LCQ is a different
> matter. As far as I know it's not available for general purchase
> yet.
>
> Frank J Hollis_________________________________________
> Frank_Hollis-1%notes@sb.com or Hollis_F%frgen.dnet@sb.com

Well, as far as I know, Varian also has an HPLC-MS instrument,


using an ion-trap, which should already be in the market, or
just about to. Their GC-MS ion-trap is much better than Finnegans',
IMHO, so it cannot hurt to check also with the Varian representative.
Hope this helps. Good luck!
Ivan.
---------------------------------------------------------------------+
Dr. Ivan P. de Arruda Campos --- Post-Doctoral Researcher |
Laboratorio de Fotoquimica (B12S) Instituto de Quimica, |
Universidade de Sao Paulo, Av. Prof. Lineu Prestes, 748 |
Cx. Postal 26077 - cep 05599-970 - S. Paulo - SP - BRAZIL |
FAX +55-11-65-3002 tels. +55-11-818-3814 or +55-11-818-3877 |
---------------------------------------------------------------------+
DISCLAIMER: My opinions are my own, and do not necessarily coincide |
with those of the Institution in which I do my research!!! |
---------------------------------------------------------------------+
ARS LONGA, VITA BREVIS... |
---------------------------------------------------------------------+

******************************************************************************
Date: Wed, 22 Nov 95 10:23:27 -0500
From: Chip Cody <cody@titian.jeol.com>
Subject: Submission to STMS: Followup to calibration question

Orig-To: pocasip@ix.netcom.com (David Mintzer )


Subject: Re: Calibration

In sci.techniques.mass-spec you write:

>Greetings,

>I wonder what kind of effort is necessary to really tune the MS for
>calibration. I may have some sexy tips to bring to the party.

>David Mintzer
>dmintzer@ix.netcom.com

------------------

You probably will need to be more specific about what kind of calibration
you have in mind. There are several things that can be calibrated:

1. Mass assignment. All mass spectrometers need to be calibrated to


specify how masses are assigned to peaks. This is (almost) always done by
constructing a calibration curve based upon the mass spectrum of a known
reference standard.

2. Peak heights. Quadrupole mass spectrometers require calibration


to achieve a standardized abundance-versus-mass response. This is done
by tuning peak heights for a standard sample such as DFTPP. Peak heights
can be influenced by other factors in other types of analyzers, but
the quadrupole case is the best example.

3. Quantitation. Quantitative methods such as SIM require the creation


of a calibration curve based on the response of varying quantities of
a standard sample. SIM or SRM methods usually also require some calibration
of the mass spectrometer so that the masses or reactions will be accurately
monitored.

4. Peak shape and ion source tuning. The mass spectrometer parameters
(ion source voltages, lens potentials, and also excitation
and detection conditions in
trapped-ion methods) all have to be adjusted to give good sensitivity and
good peak shapes for a standard reference compound at some specified
resolution value.

All of these functions are, or can be, handled automatically by the


mass spectrometer data systems. The specific algorithms depend on the
type of analyzer and the manufacturer. I'm sure that everyone would be
interested in any new techniques that could be brought up for discussion.

Chip Cody
JEOL USA, Inc.

******************************************************************************
From: boneyr.psych.som.ohsu@ohsu.EDU (Rick Boney)
Subject: mass spec vs electric guitar
Date: Wed, 22 Nov 1995 17:11:16 GMT
Organization: OHSU

Q: What's the difference between a mass spectrometer and an electric guitar?

A: You can tune a mass spectrometer.

******************************************************************************
From: boneyr.psych.som.ohsu@ohsu.EDU (Rick Boney)
Subject: joke
Date: Wed, 22 Nov 1995 21:18:26 GMT
Organization: OHSU

Q: What's the difference between a mass spectrometer and an electric guitar?

A: You can tune a mass spectrometer.

******************************************************************************
From: u3725283@netserv.chula.ac.th (Chuenchit Bussai)
Subject: THEORY
Date: 23 Nov 1995 09:09:26 GMT
Organization: Chulalongkorn University
Hello,everybody.I 've learned about mass spec,nmr and ir.But,
I 've learn only in theory.Then I think it 's interesting.
I wonder if you can suggest me about using in fact.That 's
really nice....
>
>
THANKS============================================================>

******************************************************************************
From: JOERG.HAU@01.chlsnr.nestrd.ch
Date: Thu, 23 Nov 1995 08:26:24 +0100
Subject: Data systems for sector field MS

In August, I posted a message to this list asking for information


about replacement data systems for Hi-Res sector field MS.

I received a lot of mail, finally leading to the acquisition of a new


data system for our good old MAT 8430. Thus, we would like to say a big
"thank you" to all of you that have sent information and comments.
It was indeed revealing and useful!

To summarise our experiences, it seems that there are - at present -


just four data systems available on the market that can be fitted to
high-resolution sector field instruments. Two of them are PC-based
(running the Bill-Gates-Interface) and two on other computers.

The following is a list of those manufacturers, together with some


keywords about the systems. This list is in alphabetical order and
does not mean any "classification". And, of course, I cannot guarantee
that it is complete, free from errors, ... you know what I mean ;)

AMD Intectra GmbH


Koenigsberger Strasse 1
D-27243 Harpstedt
Germany

Phone ++49 4244 1062


Fax ++49 4244 8646

Dedicated computer with dedicated operating system.

***

Kratos Analytical
Barton Dock Road
Urmston, Manchester M31 2LD
England

Phone +44 61 865-4466


Fax +44 61 865-3424
email bashir@kratos.com

"Mach 3x", running on Sun SPARC stations (Unix).

***
Mass Spectrometry Systems Ltd.
Unit 2A, Mountheath Industrial Park
George Street, Prestwich, Manchester M25 8WB
England

Phone +44 61 798-8611


Fax +44 61 773-2128

"MSS", running on PCs under MS-Windows.

***

Shrader Laboratories
3814 Vinewood Ave., Detroit, MI 48208
USA
Phone 001 313 894-4440
Fax 001 313 894-4489
e-mail sacli@mail.msen.com

"The Shrader System", running on PCs under MS-Windows.

***

It may sound obvious, but from our experience we strongly recommend


to clearly define the "needs" and the "shoulds" of the data system when
getting into contact with the manufacturers. Send them a detailed list
of your existing hardware that must be controlled (including peripherals
such as GC, LC, autosampler etc.). To avoid errors, specify the year of
construction and the serial numbers.
As an example, it was/is highly important for us to have full GC and
autosampler control (multiple injections from one vial, arbitrary
sequence, overnight batch acquisition etc.). Those who use their GC
only occasionally will have different demands, but in the last months
we found that the capabilities of the data systems differed *by far*
more than we had expected initially.

Have a lot of ions,

Joerg

---------------------------------------------------------------
Dr. Joerg Hau
Nestl'#e Research Centre
Vers-chez-les-Blanc
Case postale 44
CH-1000 Lausanne 26
Switzerland

Phone: ++41 21 785-8069


Fax: ++41 21 785-8566, -8554
Internet: Joerg.Hau@chlsnr.NestRD.ch
X.400: S=HAU; G=JOERG; OU=CHLSNR; P=NESTRD; A=ARCOM; C=CH
---------------------------------------------------------------

******************************************************************************
From: James Speakman <Jim.Speakman@instruments.fisons.co.uk>
Subject: Mass spec tuning
Date: Thu, 23 Nov 1995 12:01:21 -0800

Perhaps the real difference is that a Mass Spectrometer can tune


itself!
Regards
Jim Speakman.

******************************************************************************
From: "John C. Huffman" <huffman@indiana.edu>
Subject: Mass Spectroscopy Opening (2nd listing)
Date: 23 Nov 1995 19:13:37 GMT
Organization: Indiana University Molecular Structure Center

Indiana University has an opening for a Senior Mass Spectroscopist.


This is a full-time academic support line (non-tenure track). For
information, check url:
http://www.iumsc.indiana.edu/chem/massopen.html
If you have applied, you should recieve acknowledment of reciept of
your resume/application.
=============================================
John C. Huffman Senior Scientist
Indiana University Molecular Structure Center
huffman@indiana.edu
http://www.iumsc.indiana.edu
=============================================

******************************************************************************
From: Mike Head <aa04@dial.pipex.com>
Subject: interLAB WWW Update
Date: 24 Nov 1995 18:38:31 GMT
Organization: The Virtual Networking Company Limited

interLAB, the Virtual Exhibition on the Internet, now offers


an automatic e-mail facility on Registration detailing individual
Username and Password.

In addition to the standard interLAB features; numerous Manufacturers


detailing existing Products and the infoNET section which is updated
monthly, there is now a range of facilities including:

> a Discussion Group area for Visitors to ask questions,


and give advice, on any scientific subject
> New Products from the Press - a selection of current press releases
from different Journals
> Diary section detailing Events and Exhibitions around the world
> A list of Scientific Associations, with contact details
> An Internet software page for downloading Netscape and Adobe
software, as interLAB is now offering information in Adobe PDF format
> An on-line Seminar section
These additional items have been added at the request of Visitors and
Eventers alike and we welcome updates and additions to any of these
sections.

We hope to see you at interLAB soon:

http://www.interlab.co.uk/

STOP PRESS: there are only a few days left on the Anachem Special Offer
and Welcome to Millipore who joined interLAB today!

Regards

interLAB Web Master

******************************************************************************
From: glassgreen@aol.com (GLASSGREEN)
Subject: Finnigan MAT 95 Users
Date: 25 Nov 1995 12:31:26 -0500
Organization: America Online, Inc. (1-800-827-6364)

Anyone interested in corresponding based on this commonality?


We can share experience on the instrument, tips on getting parts, solving
problems, etc.

******************************************************************************
From: news@chaos.kulnet.kuleuven.ac.be
Subject: Data files standard
Date: 27 Nov 1995 09:57:02 GMT
Organization: K.U.Leuven

Doe anyone know if there is a standard for mass spectrometric data files
and where details about it can be found ?

Jef.

--
Jef.Rozenski@Rega.KULeuven.ac.be
Rega Institute for Medical Research
K.U.Leuven
Minderbroedersstraat 10
B-3000 Leuven
Belgium

******************************************************************************
From: abbottsd@esvx19.es.dupont.com
Subject: have a 320 accel power supply to donate
Organization: DuPont (Opinions are those of the writer only)
Date: Mon, 27 Nov 1995 15:25:32 GMT

I have an acceleration potential power supply for a Dupont 320 scanning gcms for
which I would like to find a new home-- a school or institute etc.. This unit takes
low level inputs and puts out high voltage moderate current for use in the voltage
scannin

g gcms. It could be useful in a number of applications outside the mass spec one.

******************************************************************************
From: scurlock@sunchem.chem.uga.edu (Christopher Scurlock)
Subject: H + KOH(ion) binding energy
Date: 27 Nov 1995 17:24:55 GMT
Organization: Department of Chemistry, University of Georgia, Athens

Can anyone send me a good starting reference to find the above, that is
the delta H part from:

H + KOH+ ---> HKOH+ + deltaH

I'm interested in gas-phase data, thermochemical or spectroscopic values


would be fine.
E-mail would be appreciated.

Thanks,
Chris

******************************************************************************
Date: Tue, 28 Nov 1995 13:02:48 +0100
From: marc@eawag.ch (Marc Suter)
Subject: Answer to Ilse Vandecandelaere

>From: <Unknown> (Ilse Vandecandelaere)


>Subject: question on HPLC-MS
>Date: 15 Nov 1995 10:36:46 -0500
>Approved: cminvms@acmex.gatech.edu
>Message-ID: <48d1ee$eb7@acmey.gatech.edu>
>
>[This is crossposted from sci.chem. It's a bit off-group, but I'm sure
>some of you will have advice. DB]
>
>Hello,
>
>My HPLC-chromatogram shows some additional peaks for which I have no
>explanation yet, and I have reason to believe they are no artefacts. As I
>want to know which products account for these peaks I tried comparing
>retention times of possible products, however without any success.
>
>Now I wonder whether HPLC-MS would be of any help, especially as I expect
>the compounds resposible for the additional peaks to be of low molecular
>weight (like acetate or acetyl- acetonate, i.e. 1 100 Mr). Has anyone any
>suggestions?
>
>Thanks,
>
>Ilse
>
>P.S. the solvent I use is 9:1 10 mN H2SO4:acetonitrile, but
> 9:1 0.01 M TFA:acetonitrile will do as well

>P.P.S. The compound I'm studying should be something like


> La(CH3COCHCOCH3)(CH3COO)(X)
> which is likely to give La(OH)3 + CH3COCH2COCH3 + CH3COOH + HX in
> solution;
> I'm looking for HX

This is in reply to Ilse Vandecandelaere's question.

The easiest way to approach your problem is to collect some HPLC fractions
and do a flow injection, using an electrospray interface. Unless you have
access to a LC-MS instrument that runs routinely, flow injection is easier
than trying to find similar HPLC conditions on a microbore or capillary
column (down-scale).
90% aqueous should be ok, if you have a nebulizer option.
We have been looking at small carboxylic acids that way, using 100% 20 mM
sulfate buffer. This work was done on an AutoSpec instrument, using the
newer VG ESI interface.
It should also be possible to detect your intact La-complex. We have had no
problem analyzing Fe-EDTA complexes and even transformation products thereof.
You also would have to check your sample in positive ion mode, because
depending on the oxidation state of your metal and the number of cations
attached to the complex or its components, it is possible that signal
intensities are better for positive ions.
Also, be sure to tune your instrument and interface (especially the so
called skimmer-nozzle voltage) so that you do see acetate and other small
anions.

Good luck Marc

_______________________________________________________________
Marc J.-F. Suter, Ph.D. e-mail: suter@eawag.ch
Swiss Federal Institute for Environmental Science & Technology
Chemistry Dept. / 35
phone: +41-1-823-5479 / 5091 fax: +41-1-823-5028
_______________________________________________________________

******************************************************************************
From: forensic@unix.asb.com (charles salerno)
Subject: Kewaunee Fume Hoods For Sale
Organization: ASB
Date: Wed, 29 Nov 1995 00:46:49 GMT

Kewaunee Fume Hoods For Sale

* ( 3 ) 6 Foot Fume Hoods


* ( 1 ) 8 Foot Fume Hood

These 3 year old hoods contain

Vented Cabinets (for chemical storage)


Water, Gas and Electric Fixtures

Contact
C. Salerno
email forensic@unix.asb.com

******************************************************************************
From: JOERG.HAU@01.chlsnr.nestrd.ch
Date: Wed, 29 Nov 1995 11:19:54 +0100
Subject: Finnigan LCQ

On Nov 14, Frank J Hollis wrote:


>The GCQ is, indeed, available right now. The LCQ is a different matter.
>As far as I know it's not available for general purchase yet.

A similar question was posed recently at the annual meeting of the SGMS
(Swiss MS society). The Finnigan representative said that the LCQ is
actually being sold (i.e. it IS available for purchase), and the first
instruments shall be delivered around December/January.

Hope this helps,

Joerg Hau
Joerg.Hau@chlsnr.NestRD.ch

******************************************************************************
From: ron@sciex.com (Ron Bonner)
Subject: Re: Data files standard
Date: Wed, 29 Nov 1995 07:53:00 -0400
Organization: Sciex

In article <49cb10$bnj@acmey.gatech.edu>, news@chaos.kulnet.kuleuven.ac.be


wrote:

> Doe anyone know if there is a standard for mass spectrometric data files
> and where details about it can be found ?
>
>
> Jef.

Jef:

There *Is* a standard for the transfer of MS (profile or centroid) and SIM
data between different vendors data systems, and most manufacturers have
implemented bi-directional translators.

The format is known as 'andi/MS' and was developed under the auspices of
the ASMS and later the AIA. Details can be found by anonymous ftp from
'ftp.pe-nelson.com' where you will find a directory 'andi-MS'

Regards

Ron

--
Ron Bonner, Sciex, 905 881 4646

******************************************************************************
From: Richard Civitate <rcivi@cts.com>
Subject: New Source for Used Scientific Instruments
Date: 30 Nov 1995 19:48:38 GMT
Organization: Scientific Equipment Exchange, Inc.

Great New Source for Used Scientific Instruments

Scientific Equipment Exchange, Inc. announces its new WWW site at:
http://www.sci-equip-ex.com. If you are considering a purchase, or
have equipment for sale, you shouldn't pass up this site! Visit it now!
Then make it a Bookmark. See you there.

******************************************************************************
From: cato.brede@kjemi.uio.no (Cato Brede)
Subject: Re: Data files standard
Date: 1 Dec 1995 11:39:24 GMT
Organization: Universitet i Oslo

In article <49cb10$bnj@acmey.gatech.edu>, news@chaos.kulnet.kuleuven.ac.be says:


>
>Doe anyone know if there is a standard for mass spectrometric data files
>and where details about it can be found ?

There are a lot of different file formats, for different MS systems.


Check out the newsgroup sci.data.formats. You can also search the
newsgroups by keywords using Dejavu (a www service reachable by Netscape
or other www browser).

Cato Brede

******************************************************************************
Date: Fri, 01 Dec 95 15:22:53 0500
From: Catherine stacey <ccs@bruker.com>
Organization: Bruker Instuments Inc.
Subject: Bruker Product Announcements

Bruker Instruments have information on their product line of mass


spectrometers on a WebPage at http://www.bruker/com/

The products include FTMS systems with an external source for


ESI/MALDI/EI/CI etc, a range of MALDI/TOF products and the ESQUIRE ion
trap with an ESI source for LC/MS.

Also see our product ads on the back cover of JASMS each month.

******************************************************************************
From: "Mark E. Hemling" <Mark_E_Hemling@sbphrd.com>
Subject: (no subject)
Date: 1 Dec 1995 21:43:14 GMT
Organization: SmithKline Beecham

Free to a good home; taker(s) to arrange and pay for removal and
transport:

A) 1 - Fisons VG ZAB-HF (ca. 14 years old) with 11/250J data system


(ca. 9 years old). Complete with EI/CI, FD, and FAB sources.

B) The back half of a four-sector Fisons VG ZAB-SE4F. This would


include magnet, ESA, vacuum system (diffstaks), etc., but would require
additional parts, power distribution, electronics, roughing pumps, etc.,
to become a functional mass spectrometer. The system is fitted in the
forward-geometry direction with a rudimentary FAB source.

Contact:

Steven A. Carr
610-270-6650
E-mail: Steven_A_Carr@SBPHRD.COM

******************************************************************************
From: ui22273@sunmail.lrz-muenchen.de
Subject: FAB-HR?
Date: Sat, 2 Dec 1995 16:51:42 +0100
Organization: Leibniz-Rechenzentrum, Muenchen (Germany)

Hi everybody,

I`m working at the University of Munich and am currently experimenting with


FAB-HR on a MAT95Q. As our samples work mainly in m-NBA as matrix I use PEG as
reference. Does anyone has a exact mass list of the signals, as these are not
only PEG Fragments but others with strange differences of 6 or 13 amu?
Has someone experiences with PEG as reference? What mmu difference do you
think is ok for the confirmation of a sample?

Werner Spahl (ui22273@sun1.lrz-muenchen.de)


"The meaning of my life is to make me crazy!"
******************************************************************************
From: "Rob O'Brien" <ROB.O'BRIEN@nrc.ca>
Subject: Data file standard - additional question
Date: 3 Dec 1995 18:14:48 GMT
Organization: National Research Council, Canada

In reading an earlier post by Jef.Rozenski@Rega.KULeuven.ac.be


and subsequent relpies on the topic of Data File Standards, it occurred
to me that there were two issues involved; the first being a standard
for transfereing MS spectra between instruments and the second being
a standard format for web surfers to exchange and view spectra.
Idealy these two objectives would be met by the same file format. I
have found an adequate program to display MS and other spectra online,
this program and details can be found at ;

http://wwwchem.uwimona.edu.jm:1104/software/jcampdx.html

I have downloaded this program to my PC (Windows 3.1 based) and have


been reasonably satisfied with it as a MS spectral viewer. I would be
very interested in hearing other peoples input and perspective on this
program and the related topics.

P.S
At the time of writing this I was unable to FTP to the Pe.nelson.com site
as directed.

regards,

Rob O'Brien
Ro@iecems.lan.nrc.ca
robrien@ccs.carleton.ca

******************************************************************************
From: @chemistry.gatech.edu, Frank_Hollis-1%notes@sb.com (Triple Quadrophenic)
Subject: Re: Finnigan LCQ
Date: 4 Dec 1995 09:00:29 GMT
Organization: SB

In article <49hln5$5o9@acmey.gatech.edu>, JOERG.HAU@01.chlsnr.nestrd.ch says:


>
>On Nov 14, Frank J Hollis wrote:
>>The GCQ is, indeed, available right now. The LCQ is a different matter.
>>As far as I know it's not available for general purchase yet.
>
>A similar question was posed recently at the annual meeting of the SGMS
>(Swiss MS society). The Finnigan representative said that the LCQ is
>actually being sold (i.e. it IS available for purchase), and the first
>instruments shall be delivered around December/January.
>
>Hope this helps,
>
Well, they may be taking money for them but I won't classify them
as being for sale until they are delivering them as well.

Frank J Hollis_________________________________________
Mass Spec. | |
SB Pharm | The Sinclair C5 of the |
Welwyn | Information Superhighway |
Herts. UK. |_______________________________________|
01438 782551 All opinions my own (So I'm told)
Frank_Hollis-1%notes@sb.com or Hollis_F%frgen.dnet@sb.com

******************************************************************************
From: "Mark E. Hemling" <Mark_E_Hemling@sbphrd.com>
Subject: MS to Good Home
Date: 4 Dec 1995 13:04:11 GMT
Organization: SmithKline Beecham

Free to a good home; taker(s) to arrange and pay for removal and
transport:

A) 1 - Fisons VG ZAB-HF (ca. 14 years old) with 11/250J data system


(ca. 9 years old). Complete with EI/CI, FD, and FAB sources.

B) The back half of a four-sector Fisons VG ZAB-SE4F. This would


include magnet, ESA, vacuum system (diffstaks), etc., but would require
additional parts, power distribution, electronics, roughing pumps, etc.,
to become a functional mass spectrometer. The system is fitted in the
forward-geometry direction with a rudimentary FAB source.

Contact:

Steven A. Carr
King of Prussia, PA USA
610-270-6650
E-mail: Steven_A_Carr@SBPHRD.COM

******************************************************************************
From: "K. Murray" <kmurray@emory.edu>
Subject: Re: Data files standard
Date: 4 Dec 1995 16:12:51 GMT
Organization: Emory University

cato.brede@kjemi.uio.no (Cato Brede) wrote:


> You can also search the
>newsgroups by keywords using Dejavu

If you mean DejaNews, the URL is

http://www.dejanews.com/forms/dnq.html

You can search STMS there as well.


----------

Kermit K. Murray
mailto:kmurray@emory.edu
http://tswww.cc.emory.edu/~kmurray/

******************************************************************************
Date: Mon, 4 Dec 1995 12:39:13 -0500
From: John Callahan <callahan@ccsalpha2.nrl.navy.mil>
Subject: December 11, 1995 MSDG meeting

The Mass Spectrometry Discussion Group of the Greater Washington/Baltimore Area

Next Meeting:
Monday, December 11, 1995, 7:30 pm

Location:
Hewlett-Packard Divisional Office, Park Plaza Building, 2101 Gaither Rd,
Rockville, MD

Speaker:
Professor James A. Laramee, Agricultural Chemistry and Life Sciences, Oregon
State University

Topic:
Tunable Energy (0.03-60 eV) Electron Capture Negative Ion Mass Spectrometry

Further details can be obtained at our World Wide Web Home Page
(http://chem1.nrl.navy.mil/analytical/msdg), including abstract, directions
and list of upcoming meetings and dates.

eot

John H. Callahan
Code 6113/Chemistry Division
Naval Research Laboratory
Washington, D.C. 20375
202-767-0719, FAX 202-404-8119
John.Callahan@nrl.navy.mil

******************************************************************************
From: dabell@gpu.srv.ualberta.ca (Darcy Abell)
Subject: MALDI with large poly-lysine -Help!
Date: Mon, 04 Dec 1995 21:18:34 GMT
Organization: University of Alberta

I am trying to run a poly-lysine sample on MALDI and have had no


success. It is a 59000 mol wt HBr salt of poly-lysine. I also have a
derivative of this I need to run.

If anyone has had success with this or something similar, please pass
along some advice. I have tried a number of matrixes and
concentrations. I am currently using an HP instrument.

Thanks for any help


Darcy Abell phone: 403 492 0380
Agric, Food & Nutr Sci. email: dabell@gpu.srv.ualberta.ca
University of Alberta www: http://www.ualberta.ca/~dabell/home.html
Edmonton, Alberta, Canada

******************************************************************************
From: JOERG.HAU@01.chlsnr.nestrd.ch
Date: Tue, 5 Dec 1995 14:43:27 +0100
Subject: Data Systems for Sector MS

(This is a re-mailing of a message that I sent some time ago. Sorry for
those who receive the 4 kB twice ... As John Bartmess pointed out in the
mailing of Dec 4th, it may be that the first message did get "lost".)

***

In August, I posted a message to this list asking for information


about replacement data systems for Hi-Res sector field MS.

I received a lot of mail, finally leading to the acquisition of a new


data system for our good old MAT 8430. Thus, we would like to say a big
"thank you" to all of you that have sent information and comments.
It was indeed revealing and useful!

To summarise our experiences, it seems that there are - at present -


just four data systems available on the market that can be fitted to
high-resolution sector field instruments. Two of them are PC-based
(running the Bill-Gates-Interface) and two on other computers.

The following is a list of those manufacturers, together with some


keywords about the systems. This list is in alphabetical order and
does not mean any "classification". And, of course, I cannot guarantee
that it is complete, free from errors, ... you know what I mean ;)

AMD Intectra GmbH


Koenigsberger Strasse 1
D-27243 Harpstedt
Germany

Phone ++49 4244 1062


Fax ++49 4244 8646

Dedicated computer with dedicated operating system.

***

Kratos Analytical
Barton Dock Road
Urmston, Manchester M31 2LD
England

Phone +44 61 865-4466


Fax +44 61 865-3424
email bashir@kratos.com

"Mach 3x", running on Sun SPARC stations (Unix).

***

Mass Spectrometry Systems Ltd.


Unit 2A, Mountheath Industrial Park
George Street, Prestwich, Manchester M25 8WB
England

Phone +44 61 798-8611


Fax +44 61 773-2128

"MSS", running on PCs under MS-Windows.

***

Shrader Laboratories
3814 Vinewood Ave., Detroit, MI 48208
USA
Phone 001 313 894-4440
Fax 001 313 894-4489
e-mail sacli@mail.msen.com

"The Shrader System", running on PCs under MS-Windows.

***

It may sound obvious, but from our experience we strongly recommend


to clearly define the "needs" and the "shoulds" of the data system when
getting into contact with the manufacturers. Send them a detailed list
of your existing hardware that must be controlled (including peripherals
such as GC, LC, autosampler etc.). To avoid errors, specify the year of
construction and the serial numbers.
As an example, it was/is highly important for us to have full GC and
autosampler control (multiple injections from one vial, arbitrary
sequence, overnight batch acquisition etc.). Those who use their GC
only occasionally will have different demands, but in the last months
we found that the capabilities of the data systems differed *by far*
more than we had expected initially.

Have a lot of ions,

Joerg

---------------------------------------------------------------
Dr. Joerg Hau
Nestl'#e Research Centre
Vers-chez-les-Blanc
Case postale 44
CH-1000 Lausanne 26
Switzerland

Phone: ++41 21 785-8069


Fax: ++41 21 785-8566, -8554
Internet: Joerg.Hau@chlsnr.NestRD.ch
X.400: S=HAU; G=JOERG; OU=CHLSNR; P=NESTRD; A=ARCOM; C=CH
---------------------------------------------------------------

******************************************************************************
From: boneyr.psych.som.ohsu@ohsu.EDU (Rick Boney)
Subject: melatonin LC/MS anyone?
Date: Tue, 5 Dec 1995 19:59:57 GMT
Organization: OHSU
Keywords: melatonin, LC/MS

Does anyone out there know where I can find a LC/MS assay for the quantitation
of melatonin? ( boneyr@ohsu.edu)

******************************************************************************
From: john@wd1v.MV.COM (John Seney)
Subject: Digital Scope.FAQ WWW Site
Organization: MV Communications, Inc.
Date: Wed, 6 Dec 1995 10:12:42 GMT

FYI: The latest version of Digital Scope.FAQ <300> is on my WWW Home Page.

Best Holiday Wishes!

John D. Seney |_|_|_|_| john@wd1v.mv.com


144 Pepperidge Dr. |_| |_| www http://www.mv.com/ipusers/wd1v
Manchester, NH 03103-6150 |_|_ _|_| wd1v@wb1dsw.nh.usa.noam
LeCroy Sales Engineer | | | | | 800-553-2769

******************************************************************************
From: jeolbxl@pophost.eunet.be (JEOL Brussel)
Subject: data systems for sector Hi-res sector field MS
Date: 6 Dec 1995 14:21:05 GMT
Organization: JEOL (Europe) BV

In the message of Dr.Hau from Nestli company in Switzerland he listed up a


numebr of suppliers for replacement and upgrading of data systems on Hi-Res
sector field MS.

Just to inform that BENELUX, Germany and Switzerland the Shrader system is
represented by

JEOL (Europe) BV
IKAROSLAAN 7A
B-1930 ZAVENTEM
BELGIUM

In case you should have any questions, please contacted us by


fone, fax or e-mail.
Looking forward to your reactions, I remain

Yours sinceely

Dr.R.C.Hertsens
General Manager

******************************************************************************
Date: Wed, 06 Dec 95 09:46:37 -0500
From: Chip Cody <cody@titian.jeol.com>
Subject: Re: FAB-HR?

Orig-To: ui22273@sunmail.lrz-muenchen.de
Subject: Re: FAB-HR?

In sci.techniques.mass-spec you write:

>Hi everybody,

>I`m working at the University of Munich and am currently experimenting with


>FAB-HR on a MAT95Q. As our samples work mainly in m-NBA as matrix I use PEG as
>reference. Does anyone has a exact mass list of the signals, as these are not
>only PEG Fragments but others with strange differences of 6 or 13 amu?
>Has someone experiences with PEG as reference? What mmu difference do you
>think is ok for the confirmation of a sample?

> Werner Spahl (ui22273@sun1.lrz-muenchen.de)


>"The meaning of my life is to make me crazy!"

Dear Werner,

We have a mass listing for PEG on our web page at

http://www.jeol.com

along with FAB matrix spectra and other reference masses. PEG is generally a
very good reference standard for use with NBA as a matrix. You will often see
cation adducts (M+Na or M+K) as well as the protonated species. The cations
are omnipresent, and probably come from solvents stored in glass, etc. You may
see dehydrated species, particularly at low mass. However, I'm not sure about
the strange mass differences that you report. There may be impurities
present.

The mmu difference required to confirm a sample depends a lot on the molecular
weight and other information available to you about the sample (isotope
ratios, other chemical information, sample history). The higher the
mass, the less you can trust the mass measurement to PROVE a composition.
However, an accurate mass measurement is always a valuable piece of
confirming evidence, and a check against errors in interpretation. For
what it's worth, there's an essay on interpreting exact masses on our
website. Good luck!

Chip Cody
Applications Manager
Mass Spectrometry
JEOL USA, Inc.

******************************************************************************
From: bruce_f@nelson.planet.org.nz (Bruce Fraser)
Subject: Ion traps vs quadrupoles
Date: Wed, 06 Dec 1995 21:40:14 +1200
Organization: PlaNet Community Networking (Canterbury, New Zealand)

Can anyone help me? I am evaluating ion traps (specifically the Saturn
4) vs quadrupole GC-MS systems and the following issues have come up

It seems clear that the Saturn is quite a bit more sensitive than the
quads however I have have been told...

* The performance of the ion trap goes down markedly when the source
gets contaminated. Ion traps are reputedly much more sensitive to this
than quadrupole systems

* They still give non classical spectra => problems when using
commercial libraries such as NIST/EPA/NIH to search. Also less robust
in litigation situations

* Spectrum varies with the amount of the component present =>


problems with quantitation. Also quantitation of a small peak
chromatographically partly (or not) resolved from an adjacent large
peak is not good.

* The ion trap has trouble coping with the amounts of water
introduced into the system when doing Purge and Trap sampling.

Can anyone comment on the truth or otherwise of these assertions and


relate their experiences either with this system or with having a
similar evaluation process.

Also I am aware of a paper in Anal Chem 1989, 61, 2500 - 2503 by


Fales et al on Intermolecular Processes in the Ion Trap Mass
Spectrometer. Are there more up to date papers in a similar vein on
ion traps, especially the Varian Saturn 4 system. Any references would
be appreciated.

Regards
Bruce Fraser
19 Ngatiawa St, Nelson
New Zealand
ph: +64 3 545 6016
fax: +64 3 545 7017
Email: bruce_f@nelson.planet.co.nz

******************************************************************************
From: Andrew La rouche <alarou@umr.edu>
Subject: labeled standards-need help
Date: 6 Dec 1995 17:42:44 GMT
Organization: University of Missouri-Rolla

I am using labeled chrysene in helping to characterize some PAH's


my temp program is running from 60 to 270 degrees with a four minute hold
at the end. My temp is ramped at 8 degrees a minute. My chromatogram is
showing little evidence of chrysene....is my temp program off ?I'm using
a finnigan GC/MS by elctron impact.

******************************************************************************
From: Bob Hendry <Bob.Hendry@gtri.gatech.edu>
Subject: Re: Ion traps vs quadrupoles
Date: 6 Dec 1995 22:57:15 GMT
Organization: Georgia Tech Research Institute

bruce_f@nelson.planet.org.nz (Bruce Fraser) wrote:


>
>[This is forwarded from sci.chem.analytical. - DB]
>
>
>
>Can anyone help me? I am evaluating ion traps (specifically the Saturn
>4) vs quadrupole GC-MS systems and the following issues have come up
>
>It seems clear that the Saturn is quite a bit more sensitive than the
>quads however I have have been told...
>
>* The performance of the ion trap goes down markedly when the source
>gets contaminated. Ion traps are reputedly much more sensitive to this
>than quadrupole systems

We have a Saturn which during the first 3 months of doing air monitoring
did not need to be cleaned and performance was wonderful. Although when
doing injections of a sludge like matter the traped needed to be cleaned
every week to keep performance acceptable. But the cleaning of the trap
is very simple compared to the quads in our lab. Our lab has several
quads and one Saturn, but the Saturn does most of the work because of its
sensitivity and flexablity.

>
>* They still give non classical spectra => problems when using
>commercial libraries such as NIST/EPA/NIH to search. Also less robust
>in litigation situations

I have run into some problems with library matching, the correct compound
not in the first three hits, but the correct hit is usally inthe top ten.
>
>* Spectrum varies with the amount of the component present =>
>problems with quantitation. Also quantitation of a small peak
>chromatographically partly (or not) resolved from an adjacent large
>peak is not good.
>

The spectrum variation I have seen is when the trap is overloaded with
the compound of interest. I have not had problems with the software
quanitation of a peak from coeluting peaks.

>* The ion trap has trouble coping with the amounts of water
>introduced into the system when doing Purge and Trap sampling.
>
I have not done Purge and Trap on the Saturn, but have had problems with
water in air monitoring with the VTAT injector (none that could not be
solved).

>Can anyone comment on the truth or otherwise of these assertions and


>relate their experiences either with this system or with having a
>similar evaluation process.

Overall I love the job the Saturn ion trap has done in our lab.

--
Bob Hendry
Georgia Tech Research Institute
Atlanta, Ga 30332-0820
Phone 404-894-3825 FAX 404-853-0113
Internet bob.hendry@gtri.gatech.edu

******************************************************************************
From: Vladimir Patoprsty <chempaty@savba.savba.sk>
Subject: EI spectrum of Solanidine
Date: Thu, 7 Dec 1995 11:59:53 +0100 (MET)
Cc: chempaty@savba.savba.sk (Vladimir Patoprsty)

Hi!
Could anyone send me EI spectrum of Solanidine - a steroid alkaloid?
Thank you,
Vld.

******************************************************************************
From: jwindak@umich.edu (Jim Windak)
Subject: Re: FAB-HR?
Followup-To: sci.techniques.mass-spec
Date: 7 Dec 1995 12:35:26 GMT
Organization: University of Michigan

In article <49q2je$aif@acmey.gatech.edu>, ui22273@sunmail.lrz-muenchen.de


wrote:
>
> Hi everybody,
>
> I`m working at the University of Munich and am currently experimenting with
> FAB-HR on a MAT95Q. As our samples work mainly in m-NBA as matrix I use PEG as
> reference. Does anyone has a exact mass list of the signals, as these are not
> only PEG Fragments but others with strange differences of 6 or 13 amu?
> Has someone experiences with PEG as reference? What mmu difference do you
> think is ok for the confirmation of a sample?
>
> Werner Spahl (ui22273@sun1.lrz-muenchen.de)
> "The meaning of my life is to make me crazy!"

The main peaks in the PEG spectrum are the protonated oligimers of PEG.
They are of the general form (C2.H4.O)nH3O+ , and they differ by 44 amu
(the mass of the repeat unit C2.H4.O). I've also observed smaller
intensity peaks due to sodium or potassium adducts of the PEG oligimers.
These are of the form (C2.H4.O)H2O.Na+ and (C2.H4.O)H2O.K+ .

I've never observed peaks that differ by 13 amu, but the 6 amu difference
which you observe might possibly be explained by the presence of lithium
ion. At times I've observed lithium ion adducts of the form
(C2.H4.O)H2O.Li+ . These would differ by 6 amu from the corresponding
protonated oligimers. (Subtract 7 amu for Li and add 1 amu for the proton).

PEG produces higher intensity peaks if it is run in a 4:1 mixture of


dithiothreitol / dithioerythritol which has been melted to form a viscous
liquid, rather than running it in m-NBA. Also, the PEG should be diluted
about 20:1 with methanol before adding it to the target. If it is too
concentrated, the signals will be suppressed.

Jim Windak
University of Michigan
Chemistry Dept.
jwindak@umich.edu

******************************************************************************
From: Michelle Beeson <mbeeson@emory.edu>
Subject: Jan. Meeting of Atlanta-Athens MSDG
Date: 7 Dec 1995 19:10:49 GMT
Organization: Emory University, Microchemical Facility

---------------------------------------------------------------
----- Atlanta-Athens Mass Spectrometry Discussion Group -----
---------------------------------------------------------------

December 7, 1995

Our next meeting will be 7:00PM Tuesday, January 23, 1996. The meeting
will be at Emory University in room 316 of the Chemistry building. A map
of the campus is available on the WWW at
"http://tswww.cc.emory.edu/~kmurray/aamsdg.html".

The speaker for the evening will be Dr. Jim Perkle from the CDC. The
title of his talk is "Applications of Mass Spectrometry in Environmental
Health." This will be an opportunity to learn how mass spectrometric
techniques are applied to health and environmental problems.

Parking for the meeting is on Dickey Drive in front of and on Pierce


Drive behind the Chemistry building, as well as in the Visitor lot
across Pierce Drive on Fraternity Row. The parking attendant at the
Visitor lot leaves at 7:00PM, so parking there should be free for our
meeting.

Sincerely,

Michelle D. Beeson
Microchemical Facility
Winship Cancer Center voice: (404) 778-4589
Emory University fax: (404) 778-4281
Atlanta, GA 30033 email: mbeeson@emory.edu

******************************************************************************
Subject: Re: labeled standards-need help
Date: 7 Dec 1995 20:05:16 GMT
Organization: Uni Ulm
From: News Owner <news@oracle.rz.uni-ulm.de>

In article <4a4lvr$ahp@acmey.gatech.edu>, Andrew La rouche <alarou@umr.edu> says:


>
>I am using labeled chrysene in helping to characterize some PAH's
>my temp program is running from 60 to 270 degrees with a four minute hold
>at the end. My temp is ramped at 8 degrees a minute. My chromatogram is
>showing little evidence of chrysene....is my temp program off ?I'm using
>a finnigan GC/MS by elctron impact.
>
>
>
Hello Andrew,

it would be quite helpful if you'd give some further informations,


especially about the column you are using (dimensions, stationary phase,
inlet pressure), aquisition mode (SCAN or SIM)....

best regards
-karlheinz

------------------------------------------------------------------------
Karlheinz Hauff
University of Ulm; Dept. of Analytical and Environmental Chemistry
e-mail: karlheinz.hauff@chemie.uni-ulm.de
------------------------------------------------------------------------

******************************************************************************
From: Karl Martin Syring <syring@pollux.edv.agrar.tu-muenchen.de>
Subject: Varian V70 D turbo pump
Date: Sun, 10 Dec 1995 17:18:47 +0100
Organization: Munich University of Technology

Does anyone know, where I can get a Varian V70 D turbo pump
*very* quickly?

Thanks
--
Karl M. Syring
Institute of Plant Nutrition
Munich University of Technology
D-85350 Freising
Germany

******************************************************************************
From: Gordon Buckley <buckg@homead.dnet.co.uk>
Subject: Multi-charge ions?
Date: 11 Dec 1995 00:09:20 GMT
Organization: none

How is it possible to differentiate between charge 2+ ions of mass m and


charge 1+ ions of mass 2m in a mass spectrometer. Surely the magnetic
deflection for the lighter ion will be compensated for by its increased
velocity? I'm probably missing something obvious here but teachers have
the answers to nothing, it seems.

Andy Buckley

******************************************************************************
From: belmans@schs.uia.ac.be (Francois.Belmans)
Subject: MS-lab equipment for sale
Organization: U.I.A. University of Antwerp
Date: Mon, 11 Dec 1995 11:15:01 GMT

Here is message that I received from a colleague at Rhone-Poulenc, it might be


interesting
for some of you

Dear Miss, Sir;

The Spark Source Mass Spectrometry (SSMS) laboratory of Rhone-Poulenc, France,


will stop to function as of January 1st, 1996. This enables you to acquire
the mass spectrometer (Mattauch-Herzog geometry) and the automated photometer
for a fair price.

The apparatus , a JEOL 01 BM2, has completely refurnished electronics and vacuum
sections (new rotary, turbo and ion pumps and pressure gauges). The recently
computerized photometer was build up from a ZEIS GII photometer.

The renovation of the vacuum section of the SSMS mounted up to about 40 000 US
dollars
and the installation of the renewed photometer to about $80 000.
Different lab-accessories for a laboratory confronted with trace analyses of solids
are also available: balans, mixer, diamond-saw, vertical laminar flow bench, photo
enlarger, sandblasting box, back-lit work-bench, glove box with gas flux, He-leak
detector, ...

At the moment we are examining the all proposals.


I am convinced that the simultaneous analysis of a volume, that is offered by SSMS,
is an unreplaceable method for the charaterization of solids. SSMS can be used in
this respect as a tool for elemental quantization of elements as well as for
qualitative charaterization of solid samples.

A quick response, regarding the complete or part of the sale, will be welcome.
Best regards
J. Allegre.

Rhone-Poulenc S.A.
Centre Recherches Aubervilliers
52, rue de la Haie Coq
93308 - Aubervilliers CEDEX
France
tel.: + 33 1 49 37 62 62
fax.: + 33 1 49 37 61 00

or e-mail me:
Francois
------------------------------------------------------------------------------
- Francois Belmans Francois.Belmans@uia.ua.ac.be -
- Dept. of Chemistry B2.30 Tel.:+32.38.20.23.46 -
- University of Antwerp Fax.:+32.38.20.23.76 -
- Universiteitsplein 1, B-2610 Wilrijk o 0 -
- Belgium | Windows '95 < Mac '84 -
---------------------------------------------------\_/------------------------
Try this <A HREF="http://www.uia.ua.ac.be/u/belmans/index.html">WWW</A>
------------------------------------------------------------------------------

******************************************************************************
Date: Mon, 11 Dec 1995 07:58:43 +0100
From: marc@eawag.ch (Marc Suter)
Subject: Answer to Ilse Vandecandelaere

Dear John Bartmess,


I sent this message 1 month ago and still didn't see it posted. I guess this
is another of those messages cruising the net and never reaching its goal.
I would appreciate, if you could post it this second time around

Best regards Marc

>From: <Unknown> (Ilse Vandecandelaere)


>Subject: question on HPLC-MS
>Date: 15 Nov 1995 10:36:46 -0500
>Approved: cminvms@acmex.gatech.edu
>Message-ID: <48d1ee$eb7@acmey.gatech.edu>
>
>[This is crossposted from sci.chem. It's a bit off-group, but I'm sure
>some of you will have advice. DB]
>
>Hello,
>
>My HPLC-chromatogram shows some additional peaks for which I have no
>explanation yet, and I have reason to believe they are no artefacts. As I
>want to know which products account for these peaks I tried comparing
>retention times of possible products, however without any success.
>
>Now I wonder whether HPLC-MS would be of any help, especially as I expect
>the compounds resposible for the additional peaks to be of low molecular
>weight (like acetate or acetyl- acetonate, i.e. 1 100 Mr). Has anyone any
>suggestions?
>
>Thanks,
>
>Ilse
>
>P.S. the solvent I use is 9:1 10 mN H2SO4:acetonitrile, but
> 9:1 0.01 M TFA:acetonitrile will do as well

>P.P.S. The compound I'm studying should be something like


La(CH3COCHCOCH3)(CH3COO)(X)
> which is likely to give La(OH)3 + CH3COCH2COCH3 + CH3COOH + HX in
> solution;
> I'm looking for HX

This is in reply to Ilse Vandecandelaere's question.

The easiest way to approach your problem is to collect some HPLC fractions
and do a flow injection, using an electrospray interface. Unless you have
access to a LC-MS instrument that runs routinely, flow injection is easier
than trying to find similar HPLC conditions on a microbore or capillary
column (down-scale).
90% aqueous should be ok, if you have a nebulizer option.
We have been looking at small carboxylic acids that way, using 100% 20 mM
sulfate buffer. This work was done on an AutoSpec instrument, using the
newer VG ESI interface.
It should also be possible to detect your intact La-complex. We have had no
problem analyzing Fe-EDTA complexes and even transformation products thereof.
You also would have to check your sample in positive ion mode, because
depending on the oxidation state of your metal and the number of cations
attached to the complex or its components, it is possible that signal
intensities are better for positive ions.
Also, be sure to tune your instrument and interface (especially the so
called skimmer-nozzle voltage) so that you do see acetate and other small
anions.

Good luck Marc

_______________________________________________________________
Marc J.-F. Suter, Ph.D. e-mail: suter@eawag.ch
Swiss Federal Institute for Environmental Science & Technology
Chemistry Dept. / 35
phone: +41-1-823-5479 / 5091 fax: +41-1-823-5028
_______________________________________________________________
******************************************************************************
From: Marcus Macht <macht@chclu.chemie.uni-konstanz.de>
Subject: Re: Multi-charge ions?
Date: 11 Dec 1995 17:52:57 GMT
Organization: Universitaet Konstanz

Hello Andy !

If you have an instrument with a mass resolution of greater 1 amu, better


greater 0.1 amu then you can observe ion signals at half daltons in the isotope
pattern of the 2+ signal which can not be observed in the 1+ signal.

Marcus Macht
Faculty of Chemistry
University of Konstanz

******************************************************************************
From: hwebb@rain.org (Hugh Webb)
Subject: Re: Multi-charge ions?
Date: 11 Dec 1995 19:13:29 GMT
Organization: RAIN Public Access Internet (805) 967-RAIN

Gordon Buckley (buckg@homead.dnet.co.uk) wrote:


: How is it possible to differentiate between charge 2+ ions of mass m and
: charge 1+ ions of mass 2m in a mass spectrometer. Surely the magnetic
: deflection for the lighter ion will be compensated for by its increased
: velocity? I'm probably missing something obvious here but teachers have
: the answers to nothing, it seems.

I think you may mean can one distinguish between +2 charge of


2m and +1 charge of 1m? In the case you cited, the +2 charge of 1m
will appear at 1/2 m and therefore, there is no problem because the
+1 of 2m will then appear at a mass four times higher, ie at 2m.
Remember, a mass spectrometer measures the mass to total charge
ratio.

In the other case, can you distinguish between a singly-


charged monomer and a doubly-charged dimer? Yes - simply look
at the position of the C13 for each. In the case of the
monomer, the C13 will appear to be 1 amu higher than the
corresponding parent mass. In the case of the dimer, the C13 will
appear to be only 1/2 amu higher than the parent.

Hugh Webb

******************************************************************************
From: "Andrew N. Eaton" <ar30@dial.pipex.com>
Subject: (no subject)
Date: 12 Dec 1995 08:59:38 GMT
Organization: VG ORGANIC

There is an update on the progress of the takeover of Fisons Instruments


by the Thermo Electron Corporation. It can be found at:
http://www.vgorganic.co.uk

--
Dr Andrew N. Eaton, Marketing Manager, VG ORGANIC
Tudor Road, Altrincham, Cheshire WA14 5RZ, United Kingdom
Tel: +44 (0)161 929 9666 Fax: +44 (0)161 941 5242
Email: Andrew.Eaton@instruments.fisons.co.uk or 100446.3561@compuserve.com

******************************************************************************
From: @chemistry.gatech.edu, Frank_Hollis-1%notes@sb.com (Triple Quadrophenic)
Subject: Re: Multi-charge ions?
Date: 12 Dec 1995 10:37:52 GMT
Organization: SB

In article <4ahb58$gc5@acmey.gatech.edu>, Gordon Buckley <buckg@homead.dnet.co.uk>


says:
>
>How is it possible to differentiate between charge 2+ ions of mass m and
>charge 1+ ions of mass 2m in a mass spectrometer. Surely the magnetic
>deflection for the lighter ion will be compensated for by its increased
>velocity? I'm probably missing something obvious here but teachers have
>the answers to nothing, it seems.
>
>Andy Buckley

One way is to examine the isotope peaks in the spectrum. A signal


at m/z = 123 will have an isotope peak at m/z = 124 for a singly
charged ion and 123.5 for a doubly charged ion. Of course, your
resolution needs to be good enough to differentiate these two cases.

Frank J Hollis________Frank_Hollis-1@sbphrd.com________
Mass Spec. | |
SB Pharm | The Sinclair C5 of the |
Welwyn | Information Superhighway |
Herts. UK. |_______________________________________|
01438 782551 All opinions my own (So I'm told)

******************************************************************************
From: Hagen@gold.ucr.edu (Jeffrey Hagen)
Subject: Re: Multi-charge ions?
Date: 12 Dec 1995 15:40:23 GMT
Organization: University of California, Riverside

In article <4ahb58$gc5@acmey.gatech.edu> Gordon Buckley


<buckg@homead.dnet.co.uk> writes:
> How is it possible to differentiate between charge 2+ ions of mass m and
> charge 1+ ions of mass 2m in a mass spectrometer. Surely the magnetic
> deflection for the lighter ion will be compensated for by its increased
> velocity? I'm probably missing something obvious here but teachers have
> the answers to nothing, it seems.
>
> Andy Buckley
The easiest way is if you have enough resolution on your mass spectrometer to
resolve the isotope envelope for the peak. If the peak is from the singly
charged species the isotope peaks will be spaced 1 amu apart. If the peak is
from the doubly charged species the isotope peaks will be 0.5 amu apart. This
is commonly used in electrospray when people are trying do do things like
protein sequencing by fragmentation to assign charge state and thus making mass
assignments much easier.
HTH
Jeff

******************************************************************************
From: chris stoneking <chris@aql.eas.gatech.edu>
Subject: Re: Ion traps vs quadrupoles
Date: Tue, 12 Dec 1995 12:02:54 -0800
Organization: Georgia Institute of Technology

What Bob doesn't mention is that most of the compounds he is hunting for
are easily identifiable, i.e. they have very distinct spectra. I believe
Bob is in a fairly typical analytical setup and his comments are valid.

Now, if you want to know about problems, lets talk about the Saturn's software.

It sucks. Big time. They wrote the software focusing on the EPA guidelines for
air toxics and such. Because of that there are some major wholes in the abilities
of the software. Furthermore, whoever wrote it wasn't a chromatographer and
probably wouldn't know one if it snuck up on him and bit him on the ass.

These comments, by the way, go equally for Finnigan's Magnum software, which is
virtually identical to the Saturn.

I know of someone else who did have / is having auto-CI induced by water in the
sample. He has a Varian Saturn with one of their VTAT systems on top. (I don't
recomend that baby either)

It comes down to what you are going to use it for. If you have a straight forward
analytical lab setting where you either know ahead of time what you are looking for
or are willing to live with the library matches, you probably won't have any
problems
with the Saturn. If you are in a research field where you will eventually have to
figure out for yourself what that odd peak is because you are certain protein
fragments
don't show up in process water from settling pond #4, then you might think twice
about the ion trap systems.

******************************************************************************
From: Wayne Shanks <Aleph@wam.umd.edu>
Subject: Re: Multi-charge ions?
Date: 12 Dec 1995 18:13:59 GMT
Organization: Space Physics University of Marylend

Gordon Buckley <buckg@homead.dnet.co.uk> wrote:


>How is it possible to differentiate between charge 2+ ions of mass m and
>charge 1+ ions of mass 2m in a mass spectrometer. Surely the magnetic
>deflection for the lighter ion will be compensated for by its increased
>velocity? I'm probably missing something obvious here but teachers have
>the answers to nothing, it seems.
>
>Andy Buckley
>
>
>

What you need is an energy per charge separator. This is done by deflecting the
ion between two concentric cylindrical metal plates=
charged to some voltage v1 and v2. like the magnetic sepparator the ion is
deflected. Unlike the magnetic sepparator the deflecti=
on is only a function of the energy per charge. So put one of these electro static
E/Q analizers on the front end of your magnetic =
regidity sepparator and you are in business.

Wayne Shanks

******************************************************************************
From: Soeren Deininger <sd1@eurybia.rz.uni-konstanz.de>
Subject: Posttranslational modifications ?
Date: 13 Dec 1995 11:23:13 GMT
Organization: I DID NOT CONFIGURE MY ORGANIZATION IN MY NEWSREADER

Hello,

does anybody know a web-site, which contains masses of posttranslational


modifications of proteins?

Thanks
Soeren Deininger

******************************************************************************
Date: Wed, 13 Dec 1995 16:22:50 -0500
From: cphinney@ENH.NIST.GOV (Curtis Phinney)
Subject: Field portable GC/MS

I am interested in identifying sources for "field portable" gc/ms systems.


Specifically, we are looking for a relatively light and compact, robust
GC/MS system that will produce "classical" electron impact mass spectra. A
commercially available system would be ideal, but information regarding
prototype instrumentation would be appreciated as well. Our primary
application involves low-level, real-time detection of moderately polar, low
molecular weight organics.

Sincerely,

Curtis S. Phinney
National Institute of Standards and Technology
222/B208
Gaithersburg, MD 20899-0001
Fax (301) 977-0685
Voice (301) 975-3141

******************************************************************************
From: Karen Jonscher <krj@u.washington.edu>
Subject: Re: Posttranslational modifications ?
Date: 14 Dec 1995 01:12:12 GMT
Organization: UW

Soeren Deininger <sd1@eurybia.rz.uni-konstanz.de> wrote:


>Hello,
>
>does anybody know a web-site, which contains masses of posttranslational
>modifications of proteins?
>
>Thanks
> Soeren Deininger
>
>
>

Try http://www.medstv.unimelb.edu.au/WWWDOCS/SVIMRDocs/Mass

I think there might be something after the Mass part, but I couldn't see it. Hope
this helps.

Karen

******************************************************************************
Date: Thu, 14 Dec 1995 07:08:10 +0000 (GMT)
From: ddxdd@IMAP1.ASU.EDU
Subject: Re: Posttranslational modifications ?
Organization: daves not here

Soeren Deininger (sd1@eurybia.rz.uni-konstanz.de) wrote:


: Hello,

: does anybody know a web-site, which contains masses of posttranslational


: modifications of proteins?

: Thanks
: Soeren Deininger

there is a table called 'delta mass' on a mass-spec web page


somewhere, but i don't remember the URL. try a search on delta mass
and you will likely find it.

-d^2
******************************************************************************
From: Jeff Corkern <74030.52@CompuServe.COM>
Subject: Re: Ion traps vs quadrupoles
Date: 15 Dec 1995 02:05:02 GMT
Organization: 74030.52@compuserve.com

I might add that it would be nice to know just how much


sensitivity you need. I have 2 Hewlett-Packard 5971A's I use for
environmental analytical work and they are excellent machines. The
support is expensive but is (normally) also excellent. HP's
software is good but documentation is poor.
What you are going to do with your MS is a critical question.
Mass specs are MUCH more sensitive than most instruments. I worked
in a GC/MS lab in a university setting once and most of the
samples I shot had to diluted about 1/1000. Scanning 40-550 amu in
one second, an HP 5971A can get good spectra on 10 ng of compound.
From your question, I suspect customer support might be more
important than absolute sensitivity. Even routine gadgets like a
5971A can see very small amounts. Customer support should be part
of your purchase decision. Good luck.

--
Jeff Corkern

******************************************************************************
From: spban@eskimo.com (banerian)
Subject: FT-MS basic reference
Organization: Eskimo North
Date: Fri, 15 Dec 1995 03:44:02 GMT

I am looking for a good basic reference on FT-MS. I would like to ask


only, for suggestions/references of such a text, review article, etc.

TIA

--
--
stef banerian
spban@eskimo.com
banerian@scn.org

******************************************************************************
From: srlnjxa@lhn.gns.cri.nz
Subject: Thermal Ionisation mass spectrometry
Date: Fri, 15 Dec 95 16:55:37 +1200
Organization: Institute of Geological and Nuclear Sciences

To All Thermal Ionisation Mass Spectrometer Users


******************************************************************************
From: Bob MacPherson <econolab@magic.mb.ca>
Subject: Re: Ion traps vs quadrupoles
Date: Thu, 14 Dec 1995 23:03:00 -0800
Organization: Laboratory Equipment Exchange

chris stoneking wrote:


>
> What Bob doesn't mention is that most of the compounds he is hunting for
> are easily identifiable, i.e. they have very distinct spectra. I believe
> Bob is in a fairly typical analytical setup and his comments are valid.
>
> Now, if you want to know about problems, lets talk about the Saturn's software.
>
> These comments, by the way, go equally for Finnigan's Magnum software,
> which is virtually identical to the Saturn.

I would be curious to know which software you feel is best for MS. I think all
that is left is
HP and VG. I've seen both of those, and I agree with your general assessment on
the Finnigan and
Varian S/W. VG has done some neat things, and I think HP has some newer software
that I haven't
seen.

> It comes down to what you are going to use it for. If you have a straight
> forward analytical lab setting where you either know ahead of time what
> you are looking for or are willing to live with the library matches, you
> probably won't have any problems with the Saturn. If you are in a
> research field where you will eventually have to figure out for yourself
> what that odd peak is because you are certain protein fragments don't show
> up in process water from settling pond #4, then you might think twice
> about the ion trap systems.

How would you compare a Saturn to a HP MSD in a routine setting (know what you are
looking for)?

--
_________________________________________________________________________

Bob MacPherson Laboratory Equipment Exchange


http://www.magic.mb.ca/~econolab Your Internet Magazine for Used
econolab@magic.mb.ca Scientific Equipment
four star rated by the mckinley
_________________________________________________________________________

******************************************************************************
From: Fred Schwarzer <fred1330@mailszrz.zrz.tu-berlin.de>
Subject: Long Filename Support for MS-Chemstation
Date: 15 Dec 1995 07:43:05 GMT
Organization: Institute of Food Chemistry / TU Berlin

I have developed a macro for the MS-Chemstation which allows to


load datafiles with long filenames like 2410a0101001.d
directely into the data analysis. It is designed to run only
under Windows 95 and have been tested with Chemstation Rev
C02.00. If you are interested in please send me an e-Mail.

--
Fred Schwarzer
Institute of Food Chemistry / TU Berlin
see also
http://stanpc1.lb.tu-berlin.de/lc/fred.htm

******************************************************************************
From: bfuchu@chbs.ciba.com (Fuchslueger Ulf)
Subject: Finnigan GCQ
Organization: CIBA-GEIGY AG
Date: Fri, 15 Dec 1995 13:56:21 GMT

Finnigan GCQ - be aware when trying to use it with a different GC !!

We received our GCQ last Monday with the intention to couple it to a


Carlo Erba (Fisons) GC. During the installation the technician discovered
that the remote port (on the backside of the GCQ) is not yet supported !!
the consequence: we had to put the start signal from the GC on the enter-
button of the keyboard (like it was done in the early days).

But then, the second surprise: when trying to start a series with this
configuration the system stopped irregularily beween the injections with
a data-file error (unable to open "next data filename").
The reason: the time base of the GCQ and the data system is different,
resulting sometimes (very often) in an attempt of the data system to
open the next file before the old one was closed, which leads to the
error above.

The consequence: if you intend to use your GCQ with any other GC than the
original one (which is highly recommended) you will not be able to run
your analysis automatically.

The consequence for us: Although Finnigan promised to release a bug-fix


in January :-) (they promised us to deliver our GCQ on the 15th of December,
but at the moment it didn't even left the US - in the meantime we were using
a demo machine) we returned our GCQ this Friday and purchased a MD 800
(Fisons).

So far my personal experiences with the Finnigan GCQ

----------------------------------------------------------------------------
Fuchslueger Ulf Polymer Analytics CIBA - GEIGY AG Switzerland
E-Mail: bfuchu@chbs.ciba.com
FAX: +41-61-6967227
----------------------------------------------------------------------------

******************************************************************************
From: "John Bartmess" <BARTMESS@novell.chem.utk.edu>
Organization: Univ. of Tenn. Dept. of Chemistry
Date: Fri, 15 Dec 1995 11:19:05 EST
Subject: Re: FT-MS basic reference

stef banerian <spban@eskimo.com> asked:

>I am looking for a good basic reference on FT-MS. I would like


>to ask only, for suggestions/references of such a text, review
>article, etc.

Fourier Transform Mass Spectrometry," Buchanan, M.V., Ed., ACS


Symp. Ser. 359, American Chemical Society, Washington DC, 1987.;

A.G. Marshall _Acc. Chem. Res._ *1985* _18_, 316.

John Bartmess
Cc; to spban.
--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=-=--=--=--=--=--=--=-
| John Bartmess | Organic Chem || my opinions, being antithetical |
| Dept. of Chem., U. of Tennessee || to "big time" football, cannot |
| Knoxville TN 37996-1600 || be those of the Univ. of Tennessee|
| (423) 974-6578 Fax: 974-3454 || "Anions are more fun!" |
| jbartmess@utk.edu http://novell.chem.utk.edu/bartmess.htm |
--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=--=-=--=--=--=--=--=--=--=-

******************************************************************************
From: mikemcd@axionet.com (Mike McDonell)
Subject: Re: Ion traps vs quadrupoles
Date: Fri, 15 Dec 95 23:56:06 PST
Organization: Axion internet

In article <4as4tl$13b@acmex.gatech.edu>, econolab@magic.mb.ca says...


>

>How would you compare a Saturn to a HP MSD in a routine setting (know


what you are looking for)?
>
>
>--The comparison of traps vs quads has so far not mentioned the
fundamental difference in ion source characteristics of either
device. These differences are obvious to me but may not be to
everyone. So for those interested;

Quads: External ion source, continuous ion beam, generally


filtered to 1 amu bandpass and sensitivity limited in full scan
primarily due to duty cycle, hence the need for selected ion
monitoring ( if you know what you are looking for ).

Classical Traps ( Saturn and Magnum ) Internally ionized traps,


electrons are gated. GC effluent is continuously dumped into the
trapping volume. Collisions between ion and neutral species
concentration dependant. Changes in trap spectra over GC peaks
may be caused by self protenation or space charge effects.

GCQ ( Finnigan ) External ion source, ion beam is gated. During


ion accumulation, the ion beam passes through the trap and an
extraction waveform will divert a specific mass into a stable
trajectory. This waveform is scanned from high to low. Notches
are left at masses not to be accumulated. ( Selected Ion
Accumulation).

After filling the trap, the ion source is gated off, and you are
left with only ions and the bath gas in the trapping volume

Hope this clarifies things a bit

>________________________________________________________________________
_
>
> Bob MacPherson Laboratory Equipment Exchange
> http://www.magic.mb.ca/~econolab Your Internet Magazine for Used
> econolab@magic.mb.ca Scientific Equipment
> four star rated by the mckinley
>________________________________________________________________________
_
>
>

******************************************************************************
From: mrheadmstr@aol.com (MrHeadmstr)
Subject: Re: Finnigan LCQ
Date: 16 Dec 1995 12:23:53 -0500
Organization: America Online, Inc. (1-800-827-6364)

I am being visited by the regional Finnigan SE later this week, and I'll
ask him about a definite date on the LCQ. I'll post it here.

******************************************************************************
From: mrheadmstr@aol.com (MrHeadmstr)
Subject: Re: Ion traps vs quadrupoles
Date: 16 Dec 1995 12:25:53 -0500
Organization: America Online, Inc. (1-800-827-6364)

In article <4a4el0$s84@acmey.gatech.edu>, bruce_f@nelson.planet.org.nz


(Bruce Fraser) writes:

>Can anyone help me? I am evaluating ion traps (specifically the Saturn
>4) vs quadrupole GC-MS systems and the following issues have come up

I recently purchased a system and went thru the same Q/A process as you
are doing now, and wound up buying a Finnigan GCQ. Here's some of what
went into my decision making process. (And this is a former HP field
service guy talking!)

1) Mass Range. The GCQ ranges from 10-1000amu. The HP MSD is up to 650.
OK for standard EPA work, not good for work with more variety.
2) Capability. The GCQ offers EI+, EI-, CI+ and CI-. The Saturn also
offers CI but it is a $20K option!
3) Data System. The GCQ is written in C++ to run on WindowsNT, a full 32
bit OS with a good reputation for stability. It came with a Gateway2000
P5-75, with 1.3GB hard drive, 16MB RAM, a Quad speed CD-ROM.
4) Library. Either NIST or Wiley on CD-ROM.
5) GC flexibility. Can get it with either the new Finnigan GC or the HP
5990.
6) EPC. Comes with the HP electronic pressure control standard.
Split/Splitless capillary is standard also.
7) MS/MS. THE reason why people buy an ion trap instead of quadropole,
isn't it?
8) Price. I paid $72,000 for mine with capillary, EPC, MS/MS, EI/CI/NCI,
NIST library. I couldn't get the vacuum interlock (a STRONGLY recommended
>$6000 option) due to budget constraints. For the same price, I could
have a HP MSD without any options, or a Saturn without CI/NCI (and with an
unsat software system). IMO, right now, the GCQ offers WAY more bang for
the buck than any other GC/MS on the market.

Being in New Zealand, service has to be more of a consideration for you


than for me, and in that regard HP is clearly superior. If you have a
fairly local Finnegan service rep of course, then service might not be a
worry for you.

Good Luck. Wishing I could come visit your beautiful country someday!

******************************************************************************
From: mrheadmstr@aol.com (MrHeadmstr)
Subject: Re: Multi-charge ions?
Date: 16 Dec 1995 12:27:29 -0500
Organization: America Online, Inc. (1-800-827-6364)

In article <4ahb58$gc5@acmey.gatech.edu>, Gordon Buckley


<buckg@homead.dnet.co.uk> writes:

>How is it possible to differentiate between charge 2+ ions of mass m and


>charge 1+ ions of mass 2m in a mass spectrometer

Don't you mean to "charge 1+ ions of mass 1/2m"? The MS sees the mass to
charge ratio, m/z.

MrH

******************************************************************************
From: freonfran@aol.com (Freon Fran)
Subject: Anyone familiar w/ Perkin Elmer Q-Mass 910
Date: 16 Dec 1995 17:40:32 -0500
Organization: America Online, Inc. (1-800-827-6364)

I am Looking for folks who use or have used Perkin Elmer 910 Benchtop Mass
Spec. Our Lab has just aquired one and I am currently being trained for
using it. Actually, it's more accurate to say that I am training myself.
I have GC experience, but have never worked with a mass spec. I would
like to have a few sources that I could turn to for advise once in a while
if I hit a glitch. Can anyone out there help?

******************************************************************************
Date: 17 Dec 95 15:35:20 EST
From: David Sparkman <75530.3472@compuserve.com>
Subject: Re Ion Traps

I have to comment on the recent questions regarding quadrupole ion trap mass
spectrometers. An ion trap GC/MS requires a more experienced operator than a
transmission quad. When working with unknowns, strange results are possible due
to ion-molecule reactions that may take place between odd-electron ion fragments
produced by polar analytes and the analyte molecules. On of the best examples
of this is with 2-octanone. The mass spectrum obtained using an ion trap can
have one predominate peak at m/z 129 (M+1). This is because the odd-electron
ion with an m/z value of 58 is a very good proton donor and will protonate the
2-octanone molecules present in the trap as the m/z 58 ions are formed and
stored.

All of the rest of ions normally formed are present, but their abundance pales
by comparison to the M+1 ions that are formed. The presence of peaks
representing the M+1 ion can be avoided by not storing ions below a value that
will exclude the fragment at m/z 58. However, you can still see the presence of
this important odd-electron ion peak in the spectrum you obtain.

The ion trap does not take all the data for a single spectrum in a single scan.
For those instruments where ions are formed in the trap, the scan is divided
into four different segments. A separate ionization takes place to produce ions
to be analyzed in each segment, However, all the ions form m/z 20 to m/z 650
are formed AND STORED during each ionization. If you want to avoid the presence
of protonated molecules in spectra of polar compounds, set the RF to store all
ions between m/z 20 and m/z 650 in the first scan segment. This is the default
storage voltage, and will allow the detection of all ions present between m/z 20
and 99. This segment is used to record data on ions between m/z 20 and 99. Set
the storage voltage for the other three scan segments to store only ions between
m/z 90 and m/z 650. Most of the odd-electron ions that are very good
protonating agents formed by the rearrangement fragmentation are below m/z 100.
This will reduce the sensitivity in these segments and may require an adjustment
to the ionization time. Use a mixture of ketones and methyl esters of fatty
acids to set the conditions that will give "classical" spectra. Then use these
conditions for the analysis of your unknowns. The overall sensitivity of the
ion trap will be reduced, but it is still as sensitive as or more so than a
transmission quadrupole.

With the ion trap, you will have the advantages of low pressure CI and MS/MS to
get even more qualitative information.

You should try to avoid the presence of water in trap during the time some
analytes are being looked at. With respect to EPA purge and trap, a lot has
been written on this, and EPA accepts the data you can obtain from the trap.

Regards;
David Sparkman

******************************************************************************
From: i.hemmingsen@gns.cri.nz (Ian Hemmingsen)
Subject: Ion Beam Instability
Date: Sun, 17 Dec 1995 21:59:46 GMT
Organization: Victoria University of Wellington, New Zealand.
To All Thermal Ionisation Mass Spectrometer Users.

I tried to post this article before, but the news reader I was using
was too archaic.

Anyhow, I am trying to get B negative ion beams from a VG MM30B TIMS.


I have successfully converted the instrument over to negative ion,
hoowever, the ion beams I am getting are unstable. I have installed a
couple of button magnets on the source plate to steer electrons away
from the source slit. I know that I have a well focussed ion beam, as
I have checked the shape of the beam with the analyser slit. It
therefore appears that the varibale intensity ion beam that I have is
most likley to be due to some function of the filament or the sample.
I am using Re filaments (zone refined) and currently running seawater.

Has anyone out there got any suggestions as to why my ion beams are so
unstable? I'd be really appreciative of any help on this. My email
address is;
j.aggarwal@gns.cri.nz

Thanks

Jug

******************************************************************************
From: nonsuch@netcom.com (David Mcnerney)
Subject: Re: Ion traps vs quadrupoles
Organization: NETCOM On-line Communication Services (408 261-4700 guest)
Date: Mon, 18 Dec 1995 06:15:25 GMT

I hope that this message posts as planned, as it is my first post to a


newsgroup.

I have been using a Saturn ion trap GC/MS for the past two years, mostly
to analyze extracts of environmental samples for semivolatile compounds,
but also with purge and trap. The company I work for owns two Saturns.
I'll atttempt to answer your questions... keep in mind that I have no
experience with other types of mass specs such as the HP MSD, etc.

The ion trap is actually quite robust with regard to analyzer


contamination. I inject some extremely dirty extracts into the machine
and have never experienced any serious degradation of performance over
time as a result. The analyzer is easy to clean, and we do so regularly
mainly as a preventive measure.

I'm sure that spectra produced by the Saturn do not always match
classical EI spectra very well, because of the way the Saturn uses scan
segments to mimic the tuning of other mass specs. Nevertheless, for many
compounds I am able to get a very good match to the NIST library. I don't
usually have to identify unknowns, so I haven't looked into this problem
too much.

For some compounds, under some circumstances, the Saturn ion trap will
produce concentration-dependent spectra. I have observed this with the
phthalate esters in particular. I think that there are ways to minimize
the problem, however.

The ion trap is extremely sensitive, but its sensitivity varies inversely
to the level of chemical background. If two compounds coelute and the
amount of one is extremely large while the amount of another is very
small, the EICP peak for the small compound may be affected. This has to
do with the way that the Saturn varies the time that it opens its
electron gate (ionization time) in order to maintain an optimum number of
ions in the trap. If you are only interested in the small peak, there are
ways to reject the ions generated by the other compound so as to enhance
your sensitivity and accuracy of quantitation. Your Varian salesperson will
no doubt be happy to explain those, since they cost extra.

WRT to the idea that the ion trap is adversely affected by the water in a
purge and trap system - I have never heard of this before. It is true
that the ion trap is extremely sensitive to the air/water background and
care must be taken to keep that background as low as possible, but we
used a purge and trap system with one of our Saturns for months with
excellent results. I always assumed that the trap in the purge & trap
didn't hold on to the water vapor from the purge.

As far as differences in sensitivity and performance between the ion trap


and the quadrapole, everyone seems to think that the ion trap is quite a
bit more sensitive. On the other hand, much of that difference might be
offset by starting with more sample, i.e. 25 ml purge or extracting 100
grams of dirt instead of 20, etc.

Please email me if you want more information, or if you want to hear


about shortcomings of the Varian hardware unrelated to the subjects above.

Dave

******************************************************************************
Date: Mon, 18 Dec 95 12:51:41 -0500
From: Chip Cody <cody@titian.jeol.com>
Subject: Re: Posttranslational modifications ?

Soeren Deininger <sd1@eurybia.rz.uni-konstanz.de> wrote:


}Hello,
}
}does anybody know a web-site, which contains masses of posttranslational
}modifications of proteins?
}
}Thanks
} Soeren Deininger
}

Some common post-translational modification masses are on our web site


along with the masses for amino acids:

http://www.jeol.com/ms/amino_acids.html
Robert B. Cody
Applications Manager
Mass Spectrometry
JEOL USA, Inc.

******************************************************************************
From: proana@hacom.nl (Bert Tammenga)
Subject: ICP-MS in Environmental applications ??
Organization: Pro Analyse
Date: Tue, 19 Dec 1995 09:42:08 GMT

Hello,

I am looking for information about the usage of an ICP-MS in


environmental laboratory.
Will you take the time to answer (one of) the next questions:

1. Which ICP-MS system do you use ?

2. Is it possible to use ICP-MS on a routine basis as the one and


only
instrument (day and night) to analyse all my groundwater samples
HNO3/HCl) ?
Elements of interest: Cd, Cu, Pb, Cr, Ni, Zn, Hg, As, Fe, Al, Ca, Mg,
Na, K, Mn, Co, Se, Sb, P, S, and Sn.
Detectionlimits: 0.5 ppb

3. How often do you have to clean/change the sampling and/or


skimmer
cones ?

4. What are the three up most advantages of ICP-MS to your


opinion ?

5. What are the three up most disadvantages of ICP-MS to your


opinion ?

Thanks for your reply.

Bert Tammenga

Pro Analyse Environmental lab


P.O.Box 459
3770 AL Barneveld
The Netherlands

Phone : (31)-342 426300


Fax : (31)-342 426399
EMail : proana@hacom.nl

******************************************************************************
From: pedrom <PEDROM@dq.ua.pt>
Subject: Re: Posttranslational modifications ?
Date: 19 Dec 1995 17:03:34 GMT
Organization: Aveiro University

try
http://chait-sgi.rockefeller.edu/MSDB-html/ms.home.html

Pedro Domingues

******************************************************************************
From: chris stoneking <chris@aql.eas.gatech.edu>
Subject: Re: Ion traps vs quadrupoles
Date: 19 Dec 1995 17:48:06 GMT
Organization: Georgia Institute of Technology

Bob MacPherson <econolab@magic.mb.ca> wrote:


>
> I would be curious to know which software you feel is best for MS. I
> think all that is left is HP and VG. I've seen both of those, and I agree
> with your general assessment on the Finnigan and Varian S/W. VG has done
> some neat things, and I think HP has some newer software that I haven't
> seen.
>
I don't truly know what is _best_. All the ones I have worked with
have some major shortcomings. So far, HP is a little better than the
rest, but there are a LOT of instruments I have not worked with out
there.
>
> How would you compare a Saturn to a HP MSD in a routine setting (know what you
are looking for)?

We do ambient air, looking for ozone precursors and the like. A lot
of the time, this means packing up my equipment and taking it out to
the field with me. Last summer I spent 8 weeks in a cow pasture
outside of Nashville, TN. There are no routine settings for us. I
tend to think that side by side in a lab, the Saturn (or Finnigan)
systems will be more sensitive and just as well behaved as HP's stuff.
And the innards of the ion trap are easier to clean that any quadrapole!

Hope that helps,

Chris Stoneking
chris@aql.eas.gatech.edu

******************************************************************************
Date: Tue, 19 Dec 1995 19:57:54 +0000 (GMT)
From: DAVID.DOGRUEL@ASU.Edu (dave)
Subject: post-translational modifcations
Organization: dave's not here
the URL for the list of protein post-translational modifcations (DeltaMass)
is:

http://www.medstv.unimelb.edu.au/WWWDOCS/SVIMRDocs/MassSpec/deltamassV2.html

-d^2

******************************************************************************
From: Mike Head <wwwadmin@www.interlab.co.uk>
Subject: interLAB WWW Update
Date: 19 Dec 1995 21:43:56 GMT
Organization: Virtual Networking Company Ltd

Seasons greetings from the Organisers of interLAB.

http://www.interlab.co.uk/interlab

With the release of CompuServe V2.0, which now supports coloured


backgrounds and centered text, facilities originally available under Netscape
V1.1 for Windows the look of interLAB will change over the next few weeks.
Any comments on the colour schemes chosen will be gratefully received.

Unipath, one of the world's leading manufacturers of microbiological and


diagnostic products has recently posted information on interLAB.
As has AromaScan, a market leader in the design, development and
manufacture of aroma sensing and analysis systems.

The New Products from the Press area has expanded with more current product
offerings from across the industry.

The Discussion Group area has proved popular for Visitors to request help and
information but we need more feedback from you with answers and suggestions.
Remember that all e-mails are routed through interLAB, so there will be no
direct access to you from any information posted.

Best regards

Mike Head
interLAB Web Master

******************************************************************************
From: Juergen Lipinski <Sofia@igz.fta-berlin.de>
Subject: MS-Data-System for Finnigan 4500 searched
Date: 20 Dec 1995 09:45:03 GMT
Organization: SOFIA GmbH

Dear MS users,

we are looking for an unexpensive way to replace our Incos data system by
a PC based solution. Does anybody knows a way that is not so expensive
like the masscom data system or the technivent system (vector 2) or does
anybody intend to cell as a used system.
Great thanks for help

Juergen Lipinski

******************************************************************************
From: chelber@goodnet.com (Carl A. Helber)
Subject: FERRAN SCIENTIFIC
Date: 20 Dec 1995 14:29:11 GMT
Organization: GoodNet, Inc.

Does anyone out there have any experience using the Ferran
Scientific Micropole RGA equipment?

******************************************************************************
From: "Gregory G. Dolnikowski" <dolnikows_ms@hnrc.tufts.edu>
Subject: Re: Field portable GC/MS
Date: Wed, 20 Dec 1995 14:53:51 -0800
Organization: Tufts University

Curtis Phinney wrote:


>
>I am interested in identifying sources for"field portable"gc/ms systems.
>Specifically, we are looking for a relatively light and compact, robust
>GC/MS system that will produce "classical"electron impact mass spectra.
>A commercially available system would be ideal,butinformation regarding
>prototype instrumentation would be appreciated as well. Our primary
>application involves low-level, real-time detection of moderately polar,
>low molecular weight organics.
>
>Sincerely,
>
> Curtis S. Phinney
> National Institute of Standards and Technology
> 222/B208
> Gaithersburg, MD 20899-0001
> Fax (301) 977-0685
> Voice (301) 975-3141

There is a company in the Washington D.C. area that makes field-portable


GC/MS systems:

Viking Instruments
12007 Sunrise Valley Drive
Reston, VA 22091

Dr. Gregory G. Dolnikowski


Tufts University
Boston, MA 02111
******************************************************************************
From: jwindak@umich.edu (Jim Windak)
Subject: Re: MS-Data-System for Finnigan 4500 searched
Followup-To: sci.techniques.mass-spec
Date: 21 Dec 1995 11:51:09 GMT
Organization: University of Michigan

In article <4b94lk$o95@acmey.gatech.edu>, Juergen Lipinski


<Sofia@igz.fta-berlin.de> wrote:

>
> we are looking for an unexpensive way to replace our Incos data system by
> a PC based solution. Does anybody knows a way that is not so expensive
> like the masscom data system or the technivent system (vector 2) or does
> anybody intend to cell as a used system.
>

We have a Galaxy data system installed on our Finnigan 4500. It is a PC


(Windows) based system which is a bit less expensive than the Technivent
Vector 2 system. The Galaxy system is avalilable from
LGC, Inc.
2030 Fortune Dr., Suite A
San Jose, CA 95131
USA
Phone# 408-456-0969
Fax # 408-456-0906
Jim Windak
University of Michigan
Chemistry Dept.
jwindak@umich.edu

******************************************************************************
Date: Tue, 20 Dec 1994 14:23:12 -0500
From: Daniel Ouellet <ouelletd@EM.AGR.CA>
Subject: System controller needed

Dear Sir or Madam,

I am working in animal nutrition and I would like to use an organic


elemental analyser (Carlo Erba 1500) in a continuous flow with a mass
spectrometer to determine the %N and the enrichment with the same
sample. Actually,with our system controller it seem that the
mass-spectometer (VG Isotech, Sira12) is unable to do both analyses at
the same time.

So, I am looking for a "VG Isotech es-1044 idu system controller" part
number 3601816.

Could I and Where should I send this message for announcement to the
mass-spectrometer group?

Yours faithfully,

Daniel Ouellet
Dairy and Swine Research
and Development Centre
Agriculture and Agri-Food Canada
P.O. Box 90 - 2000, route 108 East
Lennoxville, QC
Canada
J1M 1Z3
Telephone: (819) 565-9171; (819) 565-9174 voice mail #209
Fax: (819) 564-5507
E-mail: OUELLETD@EM.AGR.CA

******************************************************************************
Date: Tue, 20 Dec 1994 14:23:12 -0500
From: Daniel Ouellet <ouelletd@EM.AGR.CA>
Subject: System controller needed

I am working in animal nutrition and I would like to use an organic


elemental analyser (Carlo Erba 1500) in a continuous flow with a mass
spectrometer to determine the %N and the enrichment with the same
sample. Actually,with our system controller it seem that the
mass-spectometer (VG Isotech, Sira12) is unable to do both analyses at
the same time.

So, I am looking for a "VG Isotech es-1044 idu system controller" part
number 3601816.

Yours faithfully,

Daniel Ouellet
Dairy and Swine Research
and Development Centre
Agriculture and Agri-Food Canada
P.O. Box 90 - 2000, route 108 East
Lennoxville, QC
Canada
J1M 1Z3
Telephone: (819) 565-9171; (819) 565-9174 voice mail #209
Fax: (819) 564-5507
E-mail: OUELLETD@EM.AGR.CA

******************************************************************************
From: one_good@solution.nl (Michiel F.E. van Reenen)
Subject: LC Packings on the Web.
Date: Thu, 21 Dec 95 15:41:53 GMT
Organization: One Good Solution WWW Publishers

F.Y.I.
--
New at http://www.solution.nl/lcpackings/
--
LC Packings
--
LC Packings has a world-wide leadership position in Micro HPLC and
ancillary Micro- and Nanoseperation techniques.
On these pages you will find company and product information,
a list of dealers and E-mail forms to request additional
information with. You will also find a 'What's New with
LC Packings'-section.

---------------------------------------------------------------------
Michiel F.E. van Reenen |"Love and war are what work's about."
+31 (0)23 532 8418 |
reenen@solution.nl |"Do things - if you don't, they will
http://www.solution.nl/~reenen/| be done."
New on our site:
W. van Kiel (IT Advisor) at http://www.solution.nl/kiel/
LC Packings (Capillary LCs) at http://www.solution.nl/lcpackings/
---------------------------------------------------------------------

******************************************************************************
From: Jeff Corkern <74030.52@CompuServe.COM>
Subject: Re: Field portable GC/MS
Date: 22 Dec 1995 06:01:44 GMT
Organization: 74030.52@compuserve.com

Hewlett-Packard makes a MS that is fairly light -HP 5972A-


that fits your requirements, except that I have never tried to
carry one around. I have seen them mounted inside recreational
vehicles. HP has a Web page http://www.hp.com/go/analytical that
lists specifications but not prices. I warn you, it will not be
cheap.

--
Jeff Corkern

******************************************************************************
From: cdelumpa@best.com
Subject: Surface Science Laboratories New Web Site
Date: Fri, 22 Dec 1995 17:55:28 GMT
Organization: Best Internet Communications

Surface Science Laboratories (SSL) of Mountain View, CA announces its


new World Wide Web Site which will serve both its customers and the
analytical science community in general. The URL is:

http://www.surface-science.com

The SSL web site includes an overview of the various surface, organic
and inorganic/imaging analytical techniques employed by the company to
help solve high-tech materials problems.

Also featured at the site are specific applications overviews for the
magnetic media, semiconductor, biomedical device and ultra-pure
delivery systems industries. Future additions to this site will
include downloadable technical articles on high-tech problem-solving,
and problem-solving discussion/chat rooms.

Surface Science Laboratories is a commercial analytical laboratory


specializing in materials analysis for failure analysis, QA/QC,
process control and materials characterization. Techniques include
ESCA, AES, FE-AES, FTIR, GC/MS, HPLC, GPC, SEM/EDX,
FE-SEM, XRFand AFM.

For questions or comments, please e-mail Carlo Delumpa at


cdelumpa@surface-science.com.

###

******************************************************************************
From: cdelumpa@best.com
Subject: Surface Science Laboratories New Web Site
Date: Fri, 22 Dec 1995 18:00:21 GMT
Organization: Best Internet Communications

Surface Science Laboratories (SSL) of Mountain View, CA announces its


new World Wide Web Site which will serve both its customers and the
analytical science community in general. The URL is:

http://www.surface-science.com

The SSL web site includes an overview of the various surface, organic
and inorganic/imaging analytical techniques employed by the company to
help solve high-tech materials problems.

Also featured at the site are specific applications overviews for the
magnetic media, semiconductor, biomedical device and ultra-pure
delivery systems industries. Future additions to this site will
include downloadable technical articles on high-tech problem-solving,
and problem-solving discussion/chat rooms.

Surface Science Laboratories is a commercial analytical laboratory


specializing in materials analysis for failure analysis, QA/QC,
process control and materials characterization. Techniques include
ESCA, AES, FE-AES, FTIR, GC/MS, HPLC, GPC, SEM/EDX,
FE-SEM, XRFand AFM.

For questions or comments, please e-mail Carlo Delumpa at


cdelumpa@surface-science.com.

###

******************************************************************************
From: chmleehk@leonis.nus.sg (Lee Hian Kee)
Subject: VG 7035 and MSS upgrade
Date: 27 Dec 1995 01:29:09 GMT
Organization: National University of Singapore

Hi!

We're considering upgrading the data system on our VG 7035 to MSS'


Maspec. If there're others on the group who can offer some opinions
and/or other suggestions, I'll be appreciative. Please e-mail me. Many
thanks.

Regards,
HK Lee
chmleehk@nus.sg
chmleehk@leonis.nus.sg