Kerosene GC N MS

THE SOUTH INDIA TEXTILE RESEARCH ASSOCIATION
COIMBATORE - 641 014
Sample ID:
A-169
Operator:
DSQ
Run Time(min): 37.50
EQUIPMENT
Low Mass(m/z):
High Mass(m/z):
Instrument Name:
50
650
DSQ
Sample Name:
Comments:
Acquisition Date:
HYDRO CARBON
07/13/16 09:25:24 AM
THERMO GC - TRACE ULTRA VER: 5.0,

THERMO MS DSQ II
COLUMN
DB 35 - MS CAPILLARY STANDARD NON - POLAR COLUMN
DIMENSION
30 Mts, ID : 0.25 mm,
CARRIER GAS
He,
TEMP PROG
FILM : 0.25 m
FLOW : 1.0 ML/Min
OVEN TEMP 70 C RAISED TO 260 C AT 6 C /MIN
1 MICRO LITER
INJECTION
VOLUME
RT: 0.00 - 40.51 SM: 11G

6.89
100
8.30
90
NL:
3.15E9
TIC MS
A-169
5.36
80
Relative Abundance
70
60
50
40
30
13.32
20
10
19.60
0
0
10
15
23.51
20
Time (min)
25
33.23
27.27
30
35
38.58
40

A-169 #19 RT: 3.43 AV: 1 RF: 6.00, 5 NL: 3.54E6

F: + c Full ms [50.00-650.00]
97.1
100
90
Relative Abundance
80
70
83.1
60
125.1
50
40
142.2
30
20
10
269.0
178.1 207.0
0
100
150
200
250
307.7
300
342.1
350
m/z
396.6 425.2
400
468.9
450
502.4
500
560.5
550
605.7
640.6
600
Library Search Results

SI
RSI
642
586
584
581
569
567
562
862
680
751
791
730
765
598
561
597
560
560
563
563
Compound Name Probability

ethyl 1-methyl-2-oxocyclopentane-1-carboxylate
Triallylmethylsilane
2-Methylthiophen-3-carboxylic acid
2-Thiophenecarboxylic acid, 5-methyl- (CAS)
2-ethyl-3,3-dimethylcyclopentanone
1-Eicosanol (CAS)
2,2,3,3-Tetramethylcyclopropanoic acid,
1-butylhexyl ester
2,2,3,3-Tetramethylcyclopropanecarboxylic acid,
1-butylhexyl ester
3-Cyclopentylpropionic acid, 6-ethyl-3-octyl ester
3-Cyclopentylpropionic acid, 6-ethyl-3-octyl ester
Molecular
Formula
Molecular
Weight
Area %
29.10
5.55
5.11
4.52
3.01
2.77
2.23
C9H14O3
C10H18Si
C6H6O2S
C6H6O2S
C9H16O
C20H42O
C18H34O2
170
166
142
142
140
298
282
2.36
2.36
2.36
2.36
2.36
2.36
2.36
2.15
C18H34O2
282
2.36
2.06
2.06
C18H34O2
C18H34O2
282
282
2.36
2.36

Lib. Search Graphics Table

Compound Structure
ethyl 1-methyl-2-oxocyclopentane-1-carboxylate
Formula C9H14O3, MW 170, CAS# 5453-88-3, Entry# 83610
Cyclopentanecarboxylic acid, 1-methyl-2-oxo-, ethyl ester (CAS)
Hit Spectrum
100
NL: 9.99E2
A-16919 3.43 1 6.00, 5
3.54E6 + c Full ms
[50.00-650.00]
97
80
125
60
40
142
20
143
0
100
80
60
269
NL: 9.99E2
SI 642, RSI 862, Wiley9,
Entry# 83610, CAS#
5453-88-3, ethyl
1-methyl-2-oxocyclopentane1-carboxylate
142
97
40
20
143
0
100
200
300
400
500
600
m/z
Formula C10H18Si, MW 166, CAS# 1112-91-0, Entry# 63729
80
83
125
60
40
NL: 9.99E2
A-16919 3.43 1
6.00, 5 3.54E6 + c
Full ms
[50.00-650.00]
97
100
69
142
20
143
0
100
269
NL: 9.99E2
SI 586, RSI 680,
mainlib, Entry#
63729, CAS#
1112-91-0,
97
80
Si
60
40
83
125
43
20
126 166
0
100
200
300
400
500
600
m/z
2-Methylthiophen-3-carboxylic acid
Formula C6H6O2S, MW 142, CAS# 1918-78-1, Entry# 40057
100
NL: 9.99E2
A-16919 3.43 1 6.00,
5 3.54E6 + c Full ms
[50.00-650.00]
97
80
125
60
40
142
20
143
0
100
OH
S
80
269
NL: 9.99E2
Entry# 40057, CAS#
1918-78-1,
2-Methylthiophen-3carboxylic acid
142
97
60
40
20
143
0
100
200
300
400
500
600
m/z

2-Carboxy-5-methylthiophene
100
NL: 9.99E2
A-16919 3.43 1 6.00, 5
3.54E6 + c Full ms
[50.00-650.00]
97
80
125
60
40
142
20
0
100
143
269
NL: 9.99E2
Entry# 40056, CAS#
1918-79-2,
2-Thiophenecarboxylic acid,
5-methyl- (CAS)
97 142
80
60
40
OH
20
143
0
100
200
300
400
500
600
m/z
2-ethyl-3,3-dimethylcyclopentanone
Formula C9H16O, MW 140, CAS# 116786-18-6, Entry# 38698
80
83
125
60
40
142
20
143
0
100
80
60
NL: 9.99E2
A-16919 3.43 1 6.00,
[50.00-650.00]
97
100
269
NL: 9.99E2
Entry# 38698, CAS#
116786-18-6,
2-ethyl-3,3dimethylcyclopentanone
97
69
125
40
20
140
141
0
100
200
300
400
m/z
500
600

A-169 #45 RT: 4.01 AV: 1 RF: 6.00, 5 NL: 1.56E6

F: + c Full ms [50.00-650.00]
82.1
100
90
Relative Abundance
80
70
60
50
105.1
40
124.1
30
20
10
154.2
195.4
0
100
150
200
282.1
236.9
250
343.0 369.2 395.5

300
350
m/z
400
431.2 459.8
450
496.8
500
527.8
570.5
550
612.8
600

SI
RSI
574
570
564
555
553
552
540
537
533
530
886
876
869
812
753
792
827
858
930
782

8-Oxabicyclo[3.2.1]oct-6-en-3-one
5-Ethylcyclopent-2-en-1-one
1-ACETYL-4-METHYL-IMIDAZOLE
3-Cyclohexyldec-1-en-4-ol
N-[2'-Cyanoprop-2'-enyl]acetamide
1-Azidocyclooctanecarboxaldehyde
1H-Imidazole, 2-propyl(S)-(+)-4-(2-Amino-3-chloropropyl)imidazole
2-Cyclohexen-1-one, 3,5-dimethyl- (CAS)
15.88
13.41
10.54
7.65
7.06
6.78
4.52
3.99
3.37
15.88
Molecular
Formula
Molecular
Weight
Area %
C7H8O2
C7H10O
C6H8N2O
C16H30O
C6H8N2O
C9H15N3O
C6H10N2
C6H11ClN3
C8H12O
C7H8O2
124
110
124
238
124
181
110
160
124
124
8.33
8.33
8.33
8.33
8.33
8.33
8.33
8.33
8.33
8.33


Compound Structure
8-OXA-BICYCLO[3.2.1]OCT-6-EN-3-ONE
Hit Spectrum
100
NL: 9.99E2
A-16945 4.01 1 6.00,
[50.00-650.00]
82
80
60
105
40
20
0
100
124
154
208
282
343
NL: 9.99E2
Entry# 21644, CAS#
40458-77-3,
8-Oxabicyclo[3.2.1]oct-6en-3-one
81 82
80
124
60
40
20
125
0
100
O
5-Ethylcyclopent-2-en-1-one
2-Cyclopenten-1-one, 5-ethyl- (CAS)
100
200
300
m/z
400
500
600
NL: 9.99E2
A-16945 4.01 1
6.00, 5 1.56E6 + c
Full ms [50.00-650.00]
82
80
60
105
40
20
0
100
124
78
154
208
282
343
NL: 9.99E2
SI 570, RSI 876,
Wiley9, Entry# 12257,
CAS# 34094-63-8,
5-Ethylcyclopent-2-en1-one
82
80
60
40
110
111
20
0
100
1-ACETYL-4-METHYL-IMIDAZOLE
Formula C6H8N2O, MW 124, CAS# NA, Entry# 21406
200
300
m/z
400
500
600
NL: 9.99E2
A-16945 4.01 1
6.00, 5 1.56E6 + c
Full ms
[50.00-650.00]
82
100
80
60
81
105
40
20
78
0
100
80
124
154
208
282
343
NL: 9.99E2
SI 564, RSI 869,
Wiley9, Entry#
21406, CAS# NA,
1-ACETYL-4METHYL-IMIDAZOLE
81 82
43
60
124
40
20
125
0
100
3-Cyclohexyldec-1-en-4-ol
Formula C16H30O, MW 238, CAS# NA, Entry# 232809
100
200
300
m/z
400
500
600
NL: 9.99E2
A-16945 4.01 1
6.00, 5 1.56E6 + c
Full ms
[50.00-650.00]
82
80
60
105
40
20
0
100
HO
124
154
55
208
282
343
NL: 9.99E2
SI 555, RSI 812,
Wiley9, Entry#
232809, CAS# NA,
3-Cyclohexyldec-1en-4-ol
82
80
124
60
40
95
20
220 221
0
100
200
300
400
500
600
m/z
N-[2'-Cyanoprop-2'-enyl]acetamide
100
NL: 9.99E2
A-16945 4.01 1
6.00, 5 1.56E6 + c
Full ms [50.00-650.00]
82
80
60
40
105
20
0
100
124
154
208
282
343
NL: 9.99E2
SI 553, RSI 753,
CAS# NA,
N-[2'-Cyanoprop-2'enyl]acetamide
82
80
NH
60
40
20
124
0
100
125
200
300
m/z
400
500
600

A-169 #78 RT: 4.71 AV: 1 RF: 6.00, 5 NL: 1.73E7

F: + c Full ms [50.00-650.00]
100
90
Relative Abundance
80
70
60
50
71.1
40
30
20
113.1
85.1
10
139.2
0
100
150
183.2
200
222.9 252.9 281.8

250
300
323.0
357.1
350
m/z
430.9
400
466.3
450
524.7
500
565.6
550
631.1
600

SI
RSI
725
722
720
720
720
717
717
707
706
699
784
788
811
811
787
763
763
778
787
779

Octane, 2,6-dimethylOctane, 2,6-dimethyl- (CAS)
UNDECANE, 6,6-DIMETHYLUndecane, 6,6-dimethylOCTANE, 2,6-DIMETHYLOctane, 2,3,7-trimethylOCTANE, 2,3,7-TRIMETHYLNonane, 3-methylDECANE, 2-METHYLNONANE, 3-METHYL-
12.53
12.53
10.09
10.09
12.53
8.92
8.92
6.30
6.05
6.30
Molecular
Formula
Molecular
Weight
Area %
C10H22
C10H22
C13H28
C13H28
C10H22
C11H24
C11H24
C10H22
C11H24
C10H22
142
142
184
184
142
156
156
142
156
142
2.66
2.66
2.66
2.66
2.66
2.66
2.66
2.66
2.66
2.66


Compound Structure
Octane, 2,6-dimethylFormula C10H22, MW 142, CAS# 2051-30-1, Entry# 22696
2,6-Dimethyloctane
Hit Spectrum
100
NL: 9.99E2
A-16978 4.71 1
6.00, 5 1.73E7 + c
Full ms
[50.00-650.00]
57
80
60
71
40
20
0
100
113
53
125
NL: 9.99E2
SI 725, RSI 784,
mainlib, Entry#
22696, CAS#
2051-30-1, Octane,
2,6-dimethyl-
57
80
71
60
40
113
114
20
0
100
Octane, 2,6-dimethyl- (CAS)
Formula C10H22, MW 142, CAS# 2051-30-1, Entry# 41685
2,6-Dimethyloctane
100
200
300
m/z
400
500
600
NL: 9.99E2
A-16978 4.71 1
6.00, 5 1.73E7 + c
Full ms [50.00-650.00]
57
80
60
71
40
20
0
100
113
53
125
NL: 9.99E2
SI 722, RSI 788,
CAS# 2051-30-1,
Octane, 2,6-dimethyl(CAS)
57
71
80
60 41
40
113
20
142
0
100
Undecane, 6,6-dimethylFormula C13H28, MW 184, CAS# 17312-76-4, Entry# 23632
6,6-Dimethylundecane #
100
200
300
m/z
400
500
600
NL: 9.99E2
A-16978 4.71 1
6.00, 5 1.73E7 + c
Full ms [50.00-650.00]
57
80
60
71
40
113
20
0
100
80
125
NL: 9.99E2
SI 720, RSI 811,
mainlib, Entry# 23632,
CAS# 17312-76-4,
Undecane,
6,6-dimethyl-
57
71
60
40
113
20
114 170
0
100
UNDECANE, 6,6-DIMETHYLFormula C13H28, MW 184, CAS# 17312-76-4, Entry# 111111
6,6-DIMETHYLUNDECANE
100
200
300
m/z
400
500
600
NL: 9.99E2
A-16978 4.71 1
6.00, 5 1.73E7 + c
Full ms [50.00-650.00]
57
80
60
71
40
113
20
0
100
80
125
NL: 9.99E2
SI 720, RSI 811,
Wiley9, Entry#
111111, CAS#
17312-76-4,
UNDECANE,
6,6-DIMETHYL-
57
71
60
40
113
20
114 170
0
100
OCTANE, 2,6-DIMETHYLFormula C10H22, MW 142, CAS# 2051-30-1, Entry# 41684
2,6-DIMETHYLOCTANE
100
200
300
m/z
400
500
600
NL: 9.99E2
A-16978 4.71 1
6.00, 5 1.73E7 + c
Full ms
[50.00-650.00]
57
80
60
71
40
113
20
0
100
125
NL: 9.99E2
SI 720, RSI 787,
Wiley9, Entry#
41684, CAS#
2051-30-1, OCTANE,
2,6-DIMETHYL-
57
80
60
71
40
20
113
0
100
142
200
300
m/z
400
500
600

A-169 #95 RT: 5.07 AV: 1 RF: 6.00, 5 NL: 1.79E7

F: + c Full ms [50.00-650.00]
105.0
100
90
Relative Abundance
80
70
120.1
60
50
40
30
20
91.0
134.1
10
191.0
0
100
150
200
236.3
279.3
250
329.0 357.1
300
388.4
350
400
425.5
475.9
450
514.3 542.2
500
550
573.8
611.3
600
m/z

SI
RSI
772
772
768
767
767
767
767
766
760
759
876
871
873
880
872
865
851
869
857
857

Benzene, 1,2,3-trimethyl- (CAS)
Mesitylene
BENZENE, 1,2,4-TRIMETHYLBenzene, 1,2,4-trimethyl- (CAS)
Benzene, 1,2,3-trimethyl-
16.46
16.46
13.90
16.46
16.46
13.90
13.90
16.46
13.90
16.46
Molecular
Formula
Molecular
Weight
Area %
C9H12
C9H12
C9H12
C9H12
C9H12
C9H12
C9H12
C9H12
C9H12
C9H12
120
120
120
120
120
120
120
120
120
120
0.48
0.48
0.48
0.48
0.48
0.48
0.48
0.48
0.48
0.48


Compound Structure
1,2,3-Trimethylbenzene
Hit Spectrum
NL: 9.99E2
A-16995 5.07 1
6.00, 5 1.79E7 + c
Full ms [50.00-650.00]
105
100
80
120
60
40
20
91
0
100
134
138
NL: 9.99E2
SI 772, RSI 876,
CAS# 526-73-8,
Benzene,
1,2,3-trimethyl- (CAS)
105
80
60
120
40
20
77
121
0
100
Mesitylene
Benzene, 1,3,5-trimethyl-
200
300
m/z
400
500
600
NL: 9.99E2
A-16995 5.07 1
6.00, 5 1.79E7
+ c Full ms
[50.00-650.00]
105
100
80
120
60
40
20
91
59
0
100
134
138
NL: 9.99E2
SI 772, RSI 871,
mainlib, Entry#
72949, CAS#
108-67-8,
Mesitylene
105
80
120
60
40
20
39 77
121
0
100
100
200
300
m/z
400
500
600
NL: 9.99E2
A-16995 5.07 1
6.00, 5 1.79E7 + c
Full ms [50.00-650.00]
105
80
120
60
40
20
0
100
91
134
138
NL: 9.99E2
SI 768, RSI 873,
CAS# 95-63-6,
Benzene,
105
80
120
60
40
20
77
121
0
100
100
200
300
m/z
400
500
600
NL: 9.99E2
A-16995 5.07 1
6.00, 5 1.79E7 + c
Full ms [50.00-650.00]
105
80
120
60
40
20
0
100
91
134
138
NL: 9.99E2
SI 767, RSI 880,
CAS# 526-73-8,
Benzene,
105
80
60
120
40
20
77
121
0
100
100
200
300
m/z
400
500
600
NL: 9.99E2
A-16995 5.07 1
6.00, 5 1.79E7 + c
Full ms [50.00-650.00]
105
80
120
60
40
20
0
100
91
134
138
NL: 9.99E2
SI 767, RSI 872,
CAS# 108-67-8,
Benzene,
105
80
120
60
40
20
77
121
0
100
200
300
m/z
400
500
600

A-169 #109 RT: 5.36 AV: 1 RF: 6.00, 5 NL: 1.94E6

F: + c Full ms [50.00-650.00]
91.0
100
90
Relative Abundance
80
70
60
50
113.1
40
77.1
30
20
133.1
10
164.2
0
100
150
207.1
200
252.0
304.3
250
300
340.9
350
m/z
386.2 415.4
400
480.5
450
522.0
500
567.1
550
599.5 628.4
600

SI
RSI
636
563
997
593
556
586
539
572
539
572
535
774
520
517
508
506
626
559
644
617

N-Benzyl-2-chloropyridinium Bromide
1-(2',2'-Dimethylcyclopropylideno)-2-chloroethyle
ne
1-(2',2'-Dimethylcyclopropylideno)-2-chloroethyle
ne
4-Benzyloxy-3-nitromethyl-pentanoic acid, methyl
ester
4-Benzyloxy-3-nitromethyl-pentanoic acid, methyl
ester
(trans)-1-[4'-(Benzyloxy)-1',2',2'-trimethylcyclopen
tyl]-ethanone
Benzene, (1-propylbutyl)Silane, dichloromethyl(2-phenylethyl)Benzene, 3-butenyl- (CAS)
BENZENE, 3-BUTENYL-
Molecular
Formula
Molecular
Weight
Area %
68.95
9.39
C12H11BrClN
C7H9Cl
283
128
11.60
11.60
9.39
C7H9Cl
128
11.60
3.14
C14H19NO5
281
11.60
3.14
C14H19NO5
281
11.60
2.65
C17H24O2
260
11.60
1.61
1.42
1.03
1.03
C13H20
C9H12Cl2Si
C10H12
C10H12
176
218
132
132
11.60
11.60
11.60
11.60


Compound Structure
N-Benzyl-2-chloropyridinium Bromide
Formula C12H11BrClN, MW 283, CAS# NA, Entry# 335866
N-Benzyl-2-chloropyridinium bromide
Hit Spectrum
100
NL: 9.99E2
A-169109 5.36 1
6.00, 5 1.94E6 + c
Full ms [50.00-650.00]
91
80
60
113
40
115
20
0
100
N+
207 252
341
NL: 9.99E2
SI 636, RSI 997,
CAS# NA,
N-Benzyl-2chloropyridinium
Bromide
91
80
60
113
40
115
20
Cl
0
100
Br-
200
300
400
500
600
m/z
1-(2',2'-Dimethylcyclopropylideno)-2-chloroethylene
Formula C7H9Cl, MW 128, CAS# 150010-70-1, Entry# 25236
ETHENE,-2-CHLORO,-1-(2,2-DIMETHYLCYCLOPROPYLIDENE)
NL: 9.99E2
A-169109 5.36 1 6.00, 5
1.94E6 + c Full ms
[50.00-650.00]
91
100
80
Cl
60
40
113
77
115
20
0
100
207 252 341

NL: 9.99E2
Entry# 25236, CAS#
150010-70-1,
1-(2',2'Dimethylcyclopropylideno)-2chloroethylene
77
80
60
93
51
40
20
128
130
200
400
600
m/z
1-(2',2'-Dimethylcyclopropylideno)-2-chloroethylene
Formula C7H9Cl, MW 128, CAS# 150010-70-1, Entry# 42696
Cyclopropane, 1-(2-chloroethenylideno)-2,2-dimethylCl
NL: 9.99E2
A-169109 5.36 1 6.00, 5
1.94E6 + c Full ms
[50.00-650.00]
91
100
80
60
40
113
77
115
20
0
100
207 252 341

NL: 9.99E2
SI 556, RSI 586, mainlib,
Entry# 42696, CAS#
150010-70-1,
1-(2',2'Dimethylcyclopropylideno)-2chloroethylene
77
80
60
93
51
40
20
128
130
200
400
600
m/z
4-Benzyloxy-3-nitromethyl-pentanoic acid, methyl ester
Formula C14H19NO5, MW 281, CAS# NA, Entry# 55645
Methyl 4-(benzyloxy)-3-(nitromethyl)pentanoate #
100
NL: 9.99E2
A-169109 5.36 1 6.00, 5
1.94E6 + c Full ms
[50.00-650.00]
91
80
60
40
77
113
115
20
O
O
0
100
207 252 341

NL: 9.99E2
Entry# 55645, CAS# NA,
4-Benzyloxy-3-nitromethylpentanoic acid, methyl ester
91
80
60
40
20
0
65 107 145
200
400
600
m/z
4-Benzyloxy-3-nitromethyl-pentanoic acid, methyl ester
4-BENZYLOXY-3-NITROMETHYL-PENTANOIC ACID METHYL ESTER
100
80
60
40
O
NL: 9.99E2
A-169109 5.36 1 6.00, 5
1.94E6 + c Full ms
[50.00-650.00]
91
77
113
115
20
0
100
207 252 341

NL: 9.99E2
4-Benzyloxy-3-nitromethylpentanoic acid, methyl ester
91
80
O
O
N+
60
40
20
0
O-
65 107 145
200
400
m/z
600

A-169 #155 RT: 6.36 AV: 1 RF: 6.00, 5 NL: 4.47E7

F: + c Full ms [50.00-650.00]
119.0
100
90
Relative Abundance
80
70
60
50
40
30
134.1
20
10
67.1 91.0
163.4 194.9
0
100
150
200
229.3 259.7
250
296.8
344.0
398.1
300
350
m/z
400
431.6
450
480.9
529.1
500
570.8
550
610.5
648.4
600

SI
RSI
777
770
769
767
764
759
759
758
757
756
857
851
851
849
844
844
826
863
835
832

Ethanone, 1-(4-methylphenyl)- (CAS)
Benzene, 1,2,4,5-tetramethyl- (CAS)
Benzene, 1-ethyl-2,4-dimethyl4-Ethyl-2-methylpyrrole-3-carbonitrile
Benzene, 1-ethyl-3,5-dimethylBenzene, 1-methyl-4-(1-methylethyl)- (CAS)
1-Methyl-4,6-dihydrocyclopenta[b]pyrrol-5-one
Benzene, 1,2,3,5-tetramethyl-
11.42
8.74
8.40
7.75
6.85
5.52
5.52
5.30
5.10
5.52
Molecular
Formula
Molecular
Weight
Area %
C9H10O
C10H14
C10H14
C8H10N2
C10H14
C10H14
C10H14
C8H9NO
C10H14
C10H14
134
134
134
134
134
134
134
135
134
134
5.90
5.90
5.90
5.90
5.90
5.90
5.90
5.90
5.90
5.90


Compound Structure
Ethanone, 1-(4-methylphenyl)- (CAS)
p-Methylacetophenone
Hit Spectrum
NL: 9.99E2
A-169155 6.36 1
6.00, 5 4.47E7 + c Full
ms [50.00-650.00]
119
100
80
O
60
40
20
134
135
67
0
100
NL: 9.99E2
Entry# 31081, CAS#
122-00-9, Ethanone,
1-(4-methylphenyl)(CAS)
119
80
60
40
134
135
20
0
100
200
300
400
500
600
m/z
1,2,4,5-Tetramethylbenzene
NL: 9.99E2
A-169155 6.36 1
6.00, 5 4.47E7 + c Full
ms [50.00-650.00]
119
100
80
60
40
20
134
135
67
0
100
164
NL: 9.99E2
Entry# 31484, CAS#
95-93-2, Benzene,
1,2,4,5-tetramethyl(CAS)
119
80
60
134
40
20
135
0
100
200
300
400
500
600
m/z
Benzene, 1-ethyl-2,4-dimethylFormula C10H14, MW 134, CAS# 874-41-9, Entry# 89628
m-Xylene, 4-ethyl-
NL: 9.99E2
A-169155 6.36 1
6.00, 5 4.47E7 + c
Full ms [50.00-650.00]
119
100
80
60
40
20
134
135
67
0
100
NL: 9.99E2
SI 769, RSI 851,
CAS# 874-41-9,
Benzene,
1-ethyl-2,4-dimethyl-
119
80
60
40
20
134
77 91
135
0
100
4-Ethyl-2-methylpyrrole-3-carbonitrile
Formula C8H10N2, MW 134, CAS# NA, Entry# 30994
200
300
m/z
400
500
600
NL: 9.99E2
A-169155 6.36 1
6.00, 5 4.47E7 + c Full
ms [50.00-650.00]
119
100
80
60
40
20
0
100
134
135
67
164
NL: 9.99E2
Entry# 30994, CAS#
NA,
4-Ethyl-2-methylpyrrole3-carbonitrile
119
80
NH
60
134
40
20
135
0
100
200
300
400
500
600
m/z
Benzene, 1-ethyl-3,5-dimethylFormula C10H14, MW 134, CAS# 934-74-7, Entry# 89640
m-Xylene, 5-ethyl-
NL: 9.99E2
A-169155 6.36 1
6.00, 5 4.47E7 + c
Full ms [50.00-650.00]
119
100
80
60
40
20
0
100
134
135
67
NL: 9.99E2
SI 764, RSI 844,
CAS# 934-74-7,
Benzene,
1-ethyl-3,5-dimethyl-
119
80
60
134
40
20
77 91
0
100
135
200
300
m/z
400
500
600

A-169 #179 RT: 6.89 AV: 1 RF: 6.00, 5 NL: 1.61E7

F: + c Full ms [50.00-650.00]
71.1
100
90
Relative Abundance
80
70
60
50
40
112.1
30
99.1
20
10
140.2
0
100
150
194.3
200
241.2
280.4
250
326.9
300
358.2
350
m/z
399.1 427.2
400
512.2
450
500
559.5
590.9
550
635.9
600

SI
RSI
748
731
723
715
715
693
674
664
658
652
824
754
748
743
743
798
786
672
681
666

Nonane, 3-methyl- (CAS)
Nonane, 3-methylUNDECANE, 6,6-DIMETHYLUndecane, 6,6-dimethyl4-Hydroxymethyl-2-methyloxazole
tert-Butyl 5-Hydroxy-4-methyl-3-pentenoate
2-Ethylbutyric acid, 3-fluorophenyl ester
Octane, 2,6-dimethyl- (CAS)
Methylamine, N-(1-butylhexylidene)- (CAS)
62.53
62.53
62.53
16.37
16.37
6.47
3.14
2.21
1.74
1.37
Molecular
Formula
Molecular
Weight
Area %
C10H22
C10H22
C10H22
C13H28
C13H28
C5H7NO2
C10H18O3
C12H15FO2
C10H22
C11H23N
142
142
142
184
184
113
186
210
142
169
10.94
10.94
10.94
10.94
10.94
10.94
10.94
10.94
10.94
10.94


Compound Structure
3-Methylnonane
Hit Spectrum
100
NL: 9.99E2
A-169179 6.89 1
6.00, 5 1.61E7 + c
Full ms
[50.00-650.00]
71
80
60
40
20
0
100
112 113
140 142
58
57
NL: 9.99E2
SI 748, RSI 824,
CAS# 5911-04-6,
Nonane, 3-methyl(CAS)
71
80
60
112 113
40
20
85
114 143
0
100
3-Methylnonane
100
200
300
m/z
400
500
600
NL: 9.99E2
A-169179 6.89 1
6.00, 5 1.61E7 + c
Full ms
[50.00-650.00]
71
80
60
40
20
0
100
112 113
140 142
58
57
NL: 9.99E2
SI 731, RSI 754,
CAS# 5911-04-6,
Nonane, 3-methyl(CAS)
71
80
60
40
113
20
85 142
143
100
Nonane, 3-methylFormula C10H22, MW 142, CAS# 5911-04-6, Entry# 23540
3-Methylnonane
200
300
m/z
400
500
600
NL: 9.99E2
A-169179 6.89 1
6.00, 5 1.61E7 + c
Full ms
[50.00-650.00]
71
100
80
60
40
20
0
100
112 113
140 142
58
57
NL: 9.99E2
SI 723, RSI 748,
mainlib, Entry#
23540, CAS#
5911-04-6, Nonane,
3-methyl-
80
60
71
43
40
20
112
114
100
Undecane, 6,6-dimethylFormula C13H28, MW 184, CAS# 17312-76-4, Entry# 23632
6,6-Dimethylundecane #
100
200
300
m/z
400
500
600
NL: 9.99E2
A-169179 6.89 1
6.00, 5 1.61E7 + c
Full ms [50.00-650.00]
71
80
60
40
20
0
100
80
112 113
140 142
58
57
NL: 9.99E2
SI 715, RSI 743,
CAS# 17312-76-4,
Undecane,
6,6-dimethyl-
71
60
40
113
20
114 170
0
100
UNDECANE, 6,6-DIMETHYLFormula C13H28, MW 184, CAS# 17312-76-4, Entry# 111111
6,6-DIMETHYLUNDECANE
100
200
300
m/z
400
500
600
NL: 9.99E2
A-169179 6.89 1
6.00, 5 1.61E7 + c
Full ms [50.00-650.00]
71
80
60
40
20
0
100
80
112 113
140 142
58
57
NL: 9.99E2
SI 715, RSI 743,
Wiley9, Entry#
111111, CAS#
17312-76-4,
UNDECANE,
6,6-DIMETHYL-
71
60
40
20
113
114 170
0
100
200
300
m/z
400
500
600

A-169 #199 RT: 7.32 AV: 1 RF: 6.00, 5 NL: 7.38E6

F: + c Full ms [50.00-650.00]
100
90
Relative Abundance
80
70
60
83.1
50
40
30
123.1
20
99.1
155.2
139.1
10
181.2
0
100
150
213.7
200
249.0
250
293.3
300
327.0
366.9
350
m/z
420.1
400
454.5 481.4 509.3 538.9 568.6

450
500
550
622.0
600

SI
RSI
705
705
691
683
683
681
680
676
674
663
711
711
857
769
769
776
741
764
766
872

Tetradecane, 6,9-dimethyl- (CAS)
Tetradecane, 6,9-dimethylDodecane, 3-methyl- (CAS)
Tetradecane, 2,5-dimethylPentadecane, 6-methylTridecane, 2-methyl- (CAS)
Tetradecane, 5-methyl- (CAS)
Tetradecane, 5-methylTetradecane, 6,9-dimethyl- (CAS)
14.93
14.93
9.34
6.97
6.97
6.43
6.18
5.22
5.22
14.93
Molecular
Formula
Molecular
Weight
Area %
C16H34
C16H34
C13H28
C16H34
C16H34
C16H34
C14H30
C15H32
C15H32
C16H34
226
226
184
226
226
226
198
212
212
226
0.08
0.08
0.08
0.08
0.08
0.08
0.08
0.08
0.08
0.08


Compound Structure
Tetradecane, 6,9-dimethylFormula C16H34, MW 226, CAS# 55045-13-1, Entry# 22344
6,9-Dimethyltetradecane #
Hit Spectrum
100
NL: 9.99E2
A-169199 7.32 1
6.00, 5 7.38E6 + c
Full ms [50.00-650.00]
57
80
83
60
85
40
155
20
0
100
156 185
NL: 9.99E2
SI 705, RSI 711,
CAS# 55045-13-1,
Tetradecane,
6,9-dimethyl-
57
80
60
71
40
85
98 155
20
156
0
100
6,9-Dimethyltetradecane
100
200
300
m/z
400
500
600
NL: 9.99E2
A-169199 7.32 1
6.00, 5 7.38E6 + c Full
ms [50.00-650.00]
57
80
83
60
85
40
155
20
0
100
156 185
NL: 9.99E2
Entry# 204638, CAS#
55045-13-1,
Tetradecane,
6,9-dimethyl- (CAS)
57
80
60
71
40
20
85
98 155
197
0
100
Dodecane, 3-methyl- (CAS)
3-Methyldodecane
100
200
300
m/z
400
500
600
NL: 9.99E2
A-169199 7.32 1
6.00, 5 7.38E6 + c
Full ms [50.00-650.00]
57
80
83
60
85
40
155
20
0
100
156 185
NL: 9.99E2
SI 691, RSI 857,
CAS# 17312-57-1,
Dodecane, 3-methyl(CAS)
57
80
71
60
85
40
155
99
20
184
0
100
Tetradecane, 2,5-dimethylFormula C16H34, MW 226, CAS# 56292-69-4, Entry# 22612
2,5-Dimethyltetradecane #
100
185
200
300
m/z
400
500
600
NL: 9.99E2
A-169199 7.32 1
6.00, 5 7.38E6 + c
Full ms [50.00-650.00]
57
80
83
60
40
85
56
155
20
0
100
156 185
NL: 9.99E2
SI 683, RSI 769,
CAS# 56292-69-4,
Tetradecane,
2,5-dimethyl-
57
80
60
40
71
20
85
154
0
100
2,5-Dimethyltetradecane
100
211
200
300
m/z
400
500
600
NL: 9.99E2
A-169199 7.32 1
6.00, 5 7.38E6 + c Full
ms [50.00-650.00]
57
80
60
83
85
40
155
20
0
100
156 194
NL: 9.99E2
Entry# 204635, CAS#
56292-69-4,
Tetradecane,
2,5-dimethyl- (CAS)
57
80
60
40
20
71
85
0
100
154
211
200
300
m/z
400
500
600

A-169 #217 RT: 7.71 AV: 1 RF: 6.00, 5 NL: 1.79E7

F: + c Full ms [50.00-650.00]
100
90
Relative Abundance
80
70
60
71.1
50
40
85.1
113.1
99.1
141.2
30
20
10
169.2
200.2
0
100
150
200
252.2 281.0
250
327.0 355.0
300
350
m/z
401.0 429.2
400
464.6 494.4
450
500
535.6
550
604.6
648.4
600

SI
RSI
761
757
750
739
737
736
735
714
714
712
832
772
788
773
776
775
780
753
729
741

Undecane, 3-methyl- (CAS)
Undecane, 3-methylDecane, 2-methyl- (CAS)
Decane, 2-methyl- (CAS)
DECANE, 3,8-DIMETHYLUNDECANE, 2,10-DIMETHYL3,6-DIMETHYLDECANE
23.75
20.07
23.75
10.35
10.35
10.35
10.35
3.15
3.15
2.91
Molecular
Formula
Molecular
Weight
Area %
C12H26
C13H28
C12H26
C11H24
C11H24
C11H24
C11H24
C12H26
C13H28
C12H26
170
184
170
156
156
156
156
170
184
170
11.63
11.63
11.63
11.63
11.63
11.63
11.63
11.63
11.63
11.63


Compound Structure
Undecane, 3-methyl- (CAS)
3-Methylundecane
Hit Spectrum
100
NL: 9.99E2
A-169217 7.71 1
6.00, 5 1.79E7 + c
Full ms [50.00-650.00]
57
80
60
71
85 113
40
20
0
100
141
169 183
NL: 9.99E2
SI 761, RSI 832,
CAS# 1002-43-3,
Undecane, 3-methyl(CAS)
57
80
60
71
85
40
141
20
170 171
0
100
200
300
400
500
600
m/z
2-Methyldodecane
NL: 9.99E2
A-169217 7.71 1
6.00, 5 1.79E7 + c
Full ms [50.00-650.00]
57
100
80
71
60
85 113
40
20
0
100
169 183
43
NL: 9.99E2
SI 757, RSI 772,
Wiley9, Entry#
111054, CAS#
1560-97-0, Dodecane,
2-methyl- (CAS)
57
80
60
71
85
40
141
20
169
0
100
Undecane, 3-methylFormula C12H26, MW 170, CAS# 1002-43-3, Entry# 22675
3-Methylundecane
100
200
300
m/z
400
500
600
NL: 9.99E2
A-169217 7.71 1
6.00, 5 1.79E7 + c
Full ms
[50.00-650.00]
57
80
71
60
85 113
40
20
0
100
169 183
NL: 9.99E2
SI 750, RSI 788,
mainlib, Entry#
22675, CAS#
1002-43-3,
Undecane, 3-methyl-
57
80
60
71
85
40
20
141
142
100
2-Methyldecane
100
200
300
m/z
400
500
600
NL: 9.99E2
A-169217 7.71 1
6.00, 5 1.79E7 + c
Full ms
[50.00-650.00]
57
80
60
40
71
85 113
20
0
57
100
80
60
141
169 183
NL: 9.99E2
SI 739, RSI 773,
CAS# 6975-98-0,
Decane, 2-methyl(CAS)
71
85
40
20
113
141
0
100
200
300
400
500
600
m/z
2-Methyldecane
100
NL: 9.99E2
A-169217 7.71 1
6.00, 5 1.79E7 + c
Full ms
[50.00-650.00]
57
80
60
71
85 113
40
20
0
100
169 183
NL: 9.99E2
SI 737, RSI 776,
CAS# 6975-98-0,
Decane, 2-methyl(CAS)
43
57
80
60
40
20
71
85
113
141
0
100
200
300
m/z
400
500
600

A-169 #243 RT: 8.30 AV: 1 RF: 6.00, 5 NL: 1.02E8

F: + c Full ms [50.00-650.00]
100
90
Relative Abundance
80
70
60
50
40
30
184.2
20
10
98.1
72.1
141.2
210.2 239.1
0
100
150
200
281.0
250
324.8
300
357.0 385.2 415.0

350
m/z
400
474.0
450
550.9
500
550
588.5
636.7
600

SI
RSI
691
662
650
649
646
640
632
632
623
620
894
880
832
836
855
834
817
749
825
807

Butane, 1-iodo- (CAS)
Propane, 1-iodo-2-methyl- (CAS)
Butane, 1-iodoButane, 2-iodo- (CAS)
Propane, 1-iodo-2-methylButane, 2-iodo-
63.82
18.08
63.82
63.82
10.41
63.82
18.08
63.82
18.08
10.41
Molecular
Formula
Molecular
Weight
Area %
C4H9I
C4H9I
C4H9I
C4H9I
C4H9I
C4H9I
C4H9I
C4H9I
C4H9I
C4H9I
184
184
184
184
184
184
184
184
184
184
12.15
12.15
12.15
12.15
12.15
12.15
12.15
12.15
12.15
12.15


Compound Structure
Hit Spectrum

Formula C4H9I, MW 184, CAS# 542-69-8, Entry# 108405
1-Iodobutane
100
NL: 9.99E2
A-169243 8.30 1
6.00, 5 1.02E8 + c
Full ms
[50.00-650.00]
57
80
60
40
184
98 141
185
20
0
100
NL: 9.99E2
SI 691, RSI 894,
Wiley9, Entry#
108405, CAS#
542-69-8, Butane,
1-iodo- (CAS)
57
80
60
I
184
40
20
127
185
0
100
200
300
400
500
600
m/z
1-Iodo-2-methylpropane
100
NL: 9.99E2
A-169243 8.30 1
6.00, 5 1.02E8 + c Full
ms [50.00-650.00]
57
80
60
40
184
98 141
185
20
0
100
NL: 9.99E2
Entry# 108413, CAS#
513-38-2, Propane,
1-iodo-2-methyl- (CAS)
57
80
60
40
184
20
127
0
100
1-Iodobutane
100
185
200
300
400
m/z
500
600
NL: 9.99E2
A-169243 8.30 1
6.00, 5 1.02E8 + c
Full ms
[50.00-650.00]
57
80
60
40
184
98 141
185
20
0
100
NL: 9.99E2
SI 650, RSI 832,
Wiley9, Entry#
108406, CAS#
542-69-8, Butane,
1-iodo- (CAS)
57
80
60
I
40
20
184
58
100
185
200
300
400
500
600
m/z
Butane, 1-iodoFormula C4H9I, MW 184, CAS# 542-69-8, Entry# 21525
n-Butyl iodide
100
NL: 9.99E2
A-169243 8.30 1
6.00, 5 1.02E8 +
c Full ms
[50.00-650.00]
57
80
60
40
20
0
100
80
60
51
57
184
98 141
185
NL: 9.99E2
SI 649, RSI 836,
mainlib, Entry#
21525, CAS#
542-69-8, Butane,
1-iodo-
29
40
20
58 127
100
2-Iodobutane
100
184
185
200
300
m/z
400
500
600
NL: 9.99E2
A-169243 8.30 1
6.00, 5 1.02E8 + c
Full ms
[50.00-650.00]
57
80
60
40
184
98 141
185
20
0
100
NL: 9.99E2
SI 646, RSI 855,
Wiley9, Entry#
108410, CAS#
513-48-4, Butane,
2-iodo- (CAS)
57
80
60
40
20
184
127
100
185
200
300
400
m/z
500
600

A-169 #275 RT: 9.02 AV: 1 RF: 6.00, 5 NL: 8.84E7

F: + c Full ms [50.00-650.00]
128.1
100
90
Relative Abundance
80
70
60
50
40
30
70.1
20
145.0
102.0
10
160.1
196.2
0
100
150
200
249.0
250
294.9
300
341.0
350
m/z
372.5 401.0
400
456.2
503.1
450
500
544.5 575.1
550
612.7 641.4
600

SI
RSI
844
778
775
775
771
763
761
757
757
757
914
846
939
907
918
919
900
913
893
842

4-(2-hydroxyethyl)morpholin-3-one
anti-(2SR,3SR)-3-Hydroxy-2,2,4-trimethylthiaolane
1H-Indene, 1-methylene4,4-Dideuterio-6,6-dimethylcyclohexanone
Naphthalene (CAS)
1H-Indene, 1-methylene- (CAS)
Naphthalene (CAS)
Azulene (CAS)
4-Phenyl-1-buten-3-yne
Naphthalene (CAS)
51.51
8.13
7.18
7.18
6.07
7.18
6.07
3.80
3.80
6.07
Molecular
Formula
Molecular
Weight
Area %
C6H11NO3
C7H14OS
C10H8
C8H12D2O
C10H8
C10H8
C10H8
C10H8
C10H8
C10H8
145
146
128
126
128
128
128
128
128
128
8.27
8.27
8.27
8.27
8.27
8.27
8.27
8.27
8.27
8.27


Compound Structure
4-(2-hydroxyethyl)morpholin-3-one
Hit Spectrum
NL: 9.99E2
A-169275 9.02 1
6.00, 5 8.84E7 + c
Full ms [50.00-650.00]
128
100
80
60
40
20
70
102
0
100
145
160
NL: 9.99E2
SI 844, RSI 914,
CAS# NA,
4-(2hydroxyethyl)morpholin
-3-one
128
80
60
40
145
146
20
0
100
HO
200
300
400
500
600
m/z
anti-(2SR,3SR)-3-Hydroxy-2,2,4-trimethylthiaolane
Formula C7H14OS, MW 146, CAS# NA, Entry# 45429
(3S,4S)-2,2,4-Trimethyl-tetrahydro-thiophen-3-ol (name from MOL file)
HO
NL: 9.99E2
A-169275 9.02 1 6.00, 5
8.84E7 + c Full ms
[50.00-650.00]
128
100
80
60
40
20
70
0
100
145
160
NL: 9.99E2
anti-(2SR,3SR)-3-Hydroxy2,2,4-trimethylthiaolane
128
80
60
40
145
20
146
0
100
200
300
400
500
600
m/z
1H-Indene, 1-methyleneFormula C10H8, MW 128, CAS# 2471-84-3, Entry# 99898

1-Methylene-1H-indene
NL: 9.99E2
A-169275 9.02 1
6.00, 5 8.84E7 + c
Full ms [50.00-650.00]
128
100
80
60
40
20
70
102
0
100
145
160
NL: 9.99E2
SI 775, RSI 939,
CAS# 2471-84-3,
1H-Indene,
1-methylene-
128
80
60
40
20
51
63
129
0
100
200
300
400
500
600
m/z
4,4-Dideuterio-6,6-dimethylcyclohexanone
Formula C8H12D2O, MW 126, CAS# 79640-11-2, Entry# 23741
Cyclohexanone-4,4-d2, 2,2-dimethyl- (CAS)
NL: 9.99E2
A-169275 9.02 1 6.00,
[50.00-650.00]
128
100
80
60
40
20
0
100
70
145
160
NL: 9.99E2
Entry# 23741, CAS#
79640-11-2,
4,4-Dideuterio-6,6dimethylcyclohexanone
128
80
60
40
127
20
129
0
100
D
Naphthalene (CAS)
White tar
200
300
400
500
600
m/z
100
NL: 9.99E2
A-169275 9.02 1
6.00, 5 8.84E7 +
c Full ms
[50.00-650.00]
128
80
60
40
20
0
100
70
102
145
160
NL: 9.99E2
SI 771, RSI 918,
Wiley9, Entry#
26341, CAS#
91-20-3,
Naphthalene (CAS)
128
80
60
40
20
51 127
129
0
100
200
300
m/z
400
500
600

A-169 #304 RT: 9.67 AV: 1 RF: 6.00, 5 NL: 5.18E6

F: + c Full ms [50.00-650.00]
100
90
Relative Abundance
80
70
199.2
60
50
40
30
20
162.1
10
223.4
0
100
150
200
283.3
250
300
337.2
388.0 415.1
350
400
461.0 489.0
450
500
541.9
550
575.6
617.9 647.4
600
m/z

SI
RSI
851
807
734
922
988
798
700
700
894
886
694
687
686
683
673
812
869
737
734
720

5,7-Dimethylchromone-2-carbonitrile
(erythro)-4-phenyl-3-phenylsulphonylbutan-2-ol
8-Methyl-5-oxo-1,2,3,5-tetrahydropyrrolo[1,2-a]qu
inolin-4-carboxylic acid
(S)-(-)-3-(1-Phenethylpiperidin-3-yl)benzonitrile
(S)-(-)-3-[1-(2-Thiophene-3-ylethyl)piperidin-3-yl]
benzonitrile
2-hydroxy-3-methylimidazo[4,5-f]quinoline
(S)-(-)-3-(1-Butylpiperidin-3-yl)benzonitrile
8-dimethylamino-1-naphthalenecarboxaldehyde
Ethyl N-(3-Oxo-2-methylpentenyl)glycinate
6-oxo-5-phenyl-2,3,5,6-tetrahydro-1H-pyrrolizine
Molecular
Formula
Molecular
Weight
Area %
76.93
16.68
2.27
C12H9NO2
C16H18O3S
C14H13NO3
199
290
243
6.70
6.70
6.70
0.58
0.58
C20H22N2
C18H20N2S
290
296
6.70
6.70
0.45
0.35
0.33
0.29
0.21
C11H9N3O
C16H22N2
C13H13NO
C10H17NO3
C13H13NO
199
242
199
199
199
6.70
6.70
6.70
6.70
6.70


Compound Structure
5,7-Dimethylchromone-2-carbonitrile
Hit Spectrum
100
NL: 9.99E2
A-169304 9.67 1
6.00, 5 5.18E6 + c
Full ms [50.00-650.00]
86
80
199
60
40
20
156 162
0
100
200
NL: 9.99E2
SI 851, RSI 922,
CAS# NA,
5,7-Dimethylchromone2-carbonitrile
199
80
60
40
170
20
200
201
0
100
O
(erythro)-4-phenyl-3-phenylsulphonylbutan-2-ol
Benzeneethanol, -[1-(phenylsulfonyl)ethyl]-, (R*,R*)- (CAS)
100
200
300
400
m/z
500
600
NL: 9.99E2
A-169304 9.67 1 6.00, 5
5.18E6 + c Full ms
[50.00-650.00]
86
80
OH
199
60
40
20
96
162
0
100
200
NL: 9.99E2
Entry# 351912, CAS#
119181-36-1,
(erythro)-4-phenyl-3phenylsulphonylbutan-2-ol
199
80
60
40
170
20
291
0
100
8-Methyl-5-oxo-1,2,3,5-tetrahydropyrrolo[1,2-a]quinolin-4-carboxylic acid
100
200
300
400
m/z
500
600
NL: 9.99E2
A-169304 9.67 1 6.00, 5
5.18E6 + c Full ms [50.00-650.00]
86
80
199
60
40
HO
162
20
0
100
200
NL: 9.99E2
SI 734, RSI 798, Wiley9, Entry#
243232, CAS# NA,
8-Methyl-5-oxo-1,2,3,5tetrahydropyrrolo[1,2-a]quinolin-4carboxylic acid
199
80
60
40
198 200
20
0
244
200
(S)-(-)-3-(1-Phenethylpiperidin-3-yl)benzonitrile
100
400
m/z
600
NL: 9.99E2
A-169304 9.67 1 6.00, 5
5.18E6 + c Full ms
[50.00-650.00]
86
80
199
60
40
20
96
162
0
100
N
N
200
NL: 9.99E2
(S)-(-)-3-(1Phenethylpiperidin-3yl)benzonitrile
199
80
60
40
200
20
156
0
100
(S)-(-)-3-[1-(2-Thiophene-3-ylethyl)piperidin-3-yl]benzonitrile
Formula C18H20N2S, MW 296, CAS# NA, Entry# 366042
100
290
200
300
400
m/z
500
600
NL: 9.99E2
A-169304 9.67 1 6.00, 5
5.18E6 + c Full ms
[50.00-650.00]
86
80
199
60
40
20
96
0
100
N
N
162
200
NL: 9.99E2
366042, CAS# NA,
(S)-(-)-3-[1-(2-Thiophene-3ylethyl)piperidin-3-yl]benzonitrile
199
80
60
40
20
116
200
0
100
200
300
400
m/z
500
600

A-169 #337 RT: 10.36 AV: 1 RF: 6.00, 5 NL: 7.50E7

F: + c Full ms [50.00-650.00]
71.1
100
90
Relative Abundance
80
70
85.1
60
50
40
30
113.1 141.1
20
183.2
10
226.2
253.5 284.2
0
100
150
200
250
300
329.0
404.0
350
m/z
400
474.8 503.0 533.9

450
500
550
572.5
611.0 640.9
600

SI
RSI
807
806
805
803
800
795
795
794
787
787
853
871
863
872
839
837
837
850
841
841

Hexadecane
Pentadecane, 2,6,10,14-tetramethyl- (CAS)
Hexadecane, 2,6,10,14-tetramethyl- (CAS)
Pentadecane, 2-methyl- (CAS)
Heptadecane, 2,6,10,14-tetramethylHeptadecane, 2,6,10,14-tetramethyl- (CAS)
Pentadecane, 2,6,10,14-tetramethyl2,6,10-TRIMETHYLPENTADECANE
Pentadecane, 2,6,10-trimethyl-
11.93
11.47
11.47
10.13
8.95
7.22
7.22
11.47
5.38
5.38
Molecular
Formula
Molecular
Weight
Area %
C16H34
C19H40
C19H40
C20H42
C16H34
C21H44
C21H44
C19H40
C18H38
C18H38
226
268
268
282
226
296
296
268
254
254
2.77
2.77
2.77
2.77
2.77
2.77
2.77
2.77
2.77
2.77


Compound Structure
Hexadecane
n-Cetane
Hit Spectrum
100
80
57
85
60
40
113 141
20
0
100
80
NL: 9.99E2
A-169337 10.36
1 6.00, 5 7.50E7
+ c Full ms
[50.00-650.00]
71
43
NL: 9.99E2
SI 807, RSI 853,
mainlib, Entry#
22719, CAS#
544-76-3,
Hexadecane
85
40
20
99 113
155 227
100
100
226
71
60

Pristane
183
57
200
300
m/z
400
500
600
NL: 9.99E2
A-169337 10.36 1 6.00,
[50.00-650.00]
71
80
85
60
40
113
20
0
100
183
226
NL: 9.99E2
Entry# 303344, CAS#
1921-70-6, Pentadecane,
71
80
60
85
113
40
20
183
184
0
200
400
600
m/z
Pristane
100
NL: 9.99E2
A-169337 10.36 1 6.00,
[50.00-650.00]
71
80
85
60
40
113
20
0
100
80
183
226
NL: 9.99E2
Entry# 303343, CAS#
57
71
60
40
20
85
113
183
184
0
100
200
300
400
500
600
m/z
Hexadecane, 2,6,10,14-tetramethyl- (CAS)
Phytane
100
NL: 9.99E2
A-169337 10.36 1 6.00,
[50.00-650.00]
71
80
85
60
40
113
20
0
100
183
226
NL: 9.99E2
Entry# 335547, CAS#
638-36-8, Hexadecane,
57
71
80
60
85
40
99
20
0
100
14-METHYLPENTADECANE
100
80
200
300
400
m/z
500
600
NL: 9.99E2
A-169337 10.36 1
6.00, 5 7.50E7 + c
Full ms [50.00-650.00]
71
57
85
60
40
113 141
20
0
100
141 197 253
183
227
NL: 9.99E2
SI 800, RSI 839,
CAS# 1560-93-6,
Pentadecane, 2-methyl(CAS)
57
80
60
40
20
71
85
99
183
211
0
100
200
300
m/z
400
500
600

A-169 #355 RT: 10.76 AV: 1 RF: 6.00, 5 NL: 2.27E8

F: + c Full ms [50.00-650.00]
142.1
100
90
Relative Abundance
80
70
60
50
40
115.0
30
20
10
71.1
175.1
0
100
150
226.2
200
279.2
250
331.1
300
350
m/z
395.3
431.3
400
470.0
450
516.1
500
553.1 583.2
550
630.8
600

SI
RSI
951
937
935
934
929
929
928
925
923
923
965
942
941
938
967
940
966
928
960
930

methylnaphthalene
Naphthalene, 2-methyl- (CAS)
5H-Benzocycloheptene
4-Methylazulene
1,6-Methano[10]annulene
23.07
14.44
14.44
12.76
10.28
14.44
9.89
14.44
7.97
14.44
Molecular
Formula
Molecular
Weight
Area %
C11H10
C11H10
C11H10
C11H10
C11H10
C11H10
C11H10
C11H10
C11H10
C11H10
142
142
142
142
142
142
142
142
142
142
2.71
2.71
2.71
2.71
2.71
2.71
2.71
2.71
2.71
2.71


Compound Structure
methylnaphthalene
Formula C11H10, MW 142, CAS# NA, Entry# 41791
Hit Spectrum
100
141
NL: 9.99E2
A-169355 10.76
1 6.00, 5 2.27E8
+ c Full ms
[50.00-650.00]
142
80
60
40
20
115
143
71
0
100
175
NL: 9.99E2
SI 951, RSI 965,
Wiley9, Entry#
41791, CAS# NA,
methylnaphthalene
142
141
80
60
40
115
20
143
0
100
200
300
400
500
600
m/z
2-Methylnaphthalene
100
NL: 9.99E2
A-169355 10.76 1
6.00, 5 2.27E8 + c
Full ms [50.00-650.00]
142
141
80
60
40
20
115
143
71
0
100
175
NL: 9.99E2
SI 937, RSI 942,
CAS# 91-57-6,
Naphthalene,
2-methyl- (CAS)
142
80
141
60
40
20
115
71
143
0
100
2-Methylnaphthalene
100
200
300
m/z
400
500
600
NL: 9.99E2
A-169355 10.76 1
6.00, 5 2.27E8 + c
Full ms [50.00-650.00]
142
141
80
60
40
20
115
143
71
0
100
175
NL: 9.99E2
SI 935, RSI 941,
CAS# 91-57-6,
Naphthalene,
2-methyl- (CAS)
142
141
80
60
40
20
115
143
71
0
100
1-Methylnaphthalene
100
141
200
300
m/z
400
500
600
NL: 9.99E2
A-169355 10.76 1
6.00, 5 2.27E8 + c
Full ms [50.00-650.00]
142
80
60
40
20
115
143
71
0
100
175
NL: 9.99E2
SI 934, RSI 938,
CAS# 90-12-0,
Naphthalene,
1-methyl- (CAS)
142
141
80
60
40
20
115
71
143
0
100
200
300
400
500
600
m/z
5H-Benzocycloheptene
100
141
NL: 9.99E2
A-169355 10.76
1 6.00, 5 2.27E8
+ c Full ms
[50.00-650.00]
142
80
60
40
20
0
100
115
143
71
175
NL: 9.99E2
SI 929, RSI 967,
Wiley9, Entry#
41801, CAS# NA,
5HBenzocycloheptene
141 142
80
60
40
115
143
20
144
0
100
200
300
400
m/z
500
600

A-169 #380 RT: 11.30 AV: 1 RF: 6.00, 5 NL: 2.66E6

F: + c Full ms [50.00-650.00]
119.1
100
90
105.1
Relative Abundance
80
70
190.1
60
50
40
133.1
30
174.1
20
161.1
10
222.3
0
100
150
200
328.0
259.0
250
300
368.5
350
m/z
401.9
400
458.9
450
507.4
500
551.0
589.5
550
618.8
600

SI
RSI
594
594
590
582
573
571
671
671
669
748
900
699
570
570
814
602
570
602
569
590

Diazene, 1-(1-phenylethyl)-2-(1,1,-dimethylethyl)-Methylbenzylamine, N-neopentylideneDiazene, 1-(1-phenylethyl)-2-(1,1,-dimethylethyl)-(1-PYRROLIDINYL)-BENZALDOXIME
1,2-dimethyl-3-hex-1-enylidenecyclohexene
1-METHYL-3-PHENYL-4-AMINO-1,2,4-TRIAZ
OLE-5-ONE
a hexahydro - tetramethyl - naphthalene
4-Methyl-N-(4-phenyl-piperazin-1-ylmethyl)-benza
mide
4-Methyl-N-(4-phenyl-piperazin-1-ylmethyl)-benza
mide
Piperazine, 1-ethyl-4-phenyl-
Molecular
Formula
Molecular
Weight
Area %
8.63
8.63
7.29
5.44
3.95
3.64
C12H18N2
C12H18N2
C12H18N2
C11H14N2O
C14H22
C9H10N4O
190
190
190
190
190
190
4.81
4.81
4.81
4.81
4.81
4.81
3.50
3.50
C14H22
C19H23N3O
190
309
4.81
4.81
3.50
C19H23N3O
309
4.81
3.36
C12H18N2
190
4.81


Compound Structure
-Methylbenzylamine, N-neopentylideneFormula C12H18N2, MW 190, CAS# NA, Entry# 121630
Hit Spectrum
100
80
60
40
190
104
91
133
20
191
0
100
222
NL: 9.99E2
Entry# 121630, CAS#
NA,
-Methylbenzylamine,
N-neopentylidene-
105
80
60
NL: 9.99E2
A-169380 11.30 1
6.00, 5 2.66E6 + c Full
ms [50.00-650.00]
119
105
175
57
106
40
190
20
191
0
100
Diazene, 1-(1-phenylethyl)-2-(1,1,-dimethylethyl)Formula C12H18N2, MW 190, CAS# NA, Entry# 121635
(E)-1-tert-Butyl-2-(1-phenylethyl)diazene
200
80
40
20
0
100
500
600
NL: 9.99E2
A-169380 11.30 1 6.00,
[50.00-650.00]
190
104
91
133
191
222
NL: 9.99E2
Diazene,
1-(1-phenylethyl)-2-(1,1,dimethylethyl)-
105
80
60
400
119
105
100
60
300
m/z
175
57
106
40
190
20
191
0
100
Diazene, 1-(1-phenylethyl)-2-(1,1,-dimethylethyl)Formula C12H18N2, MW 190, CAS# NA, Entry# 73472
(E)-1-tert-Butyl-2-(1-phenylethyl)diazene #
200
80
40
133
222
NL: 9.99E2
Diazene,
1-(1-phenylethyl)-2-(1,1,dimethylethyl)-
105
80
60
600
NL: 9.99E2
A-169380 11.30 1 6.00,
[50.00-650.00]
191
0
100
N
500
190
104
91
20
400
119
105
100
60
300
m/z
175
57
106
40
190
20
191
0
100
-(1-PYRROLIDINYL)-BENZALDOXIME
Formula C11H14N2O, MW 190, CAS# 65623-51-0, Entry# 120930
Pyrrolidine, 1-[(hydroxyimino)phenylmethyl]- (CAS)
HO
100
40
NH
400
500
600
NL: 9.99E2
A-169380 11.30 1
6.00, 5 2.66E6 + c Full
ms [50.00-650.00]
190
104
91
133
20
0
100
300
m/z
119
105
80
60
200
191
222
NL: 9.99E2
Entry# 120930, CAS#
65623-51-0,
-(1-PYRROLIDINYL)BENZALDOXIME
77
80
105
60
40
120
20
0
190 191
100
1,2-dimethyl-3-hex-1-enylidenecyclohexene
100
200
300
m/z
400
500
600
NL: 9.99E2
A-169380 11.30 1 6.00,
[50.00-650.00]
119
80
190
60
40
133
20
0
100
80
C
60
191
222
NL: 9.99E2
Entry# 122238, CAS#
124267-52-3,
1,2-dimethyl-3-hex-1enylidenecyclohexene
91
119
133
40
190
20
161 191
0
100
200
300
400
m/z
500
600

A-169 #415 RT: 12.06 AV: 1 RF: 6.00, 5 NL: 6.48E6

F: + c Full ms [50.00-650.00]
193.2
100
90
Relative Abundance
80
70
173.1
60
50
40
30
20
69.1
109.1
123.1
137.1
81.1
208.2
155.2
10
240.3
0
100
150
200
250
295.4
300
343.0 372.8 402.9 431.8 461.0

350
m/z
400
450
498.7
500
556.2
610.4 638.7
550
600

SI
RSI
958
980
944
960
939
956
930
926
947
942
916
893
932
909
890
884
906
899
857
872

3,3,6,9,9-Pentamethyl-2,10-diazabicyclo[4.4.0]-1-d
ecene-2-hydroxycarbonate
3,3,6,9,9-Pentamethyl-2,10-diazabicyclo[4.4.0]-1decene
(1RS,2SR,5RS)-1,2,5-Trimethylbicyclo[3.3.0]oc-3
-ene -2-acetic acid
2-METHYL-1,1-DIPHENYL-1-PROPENE
2-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexa
ne-1,3-dione
5-tert-Butyl-2,3-dimethoxytoluene
1-[3',4',4'a,5',6',7',8',8'a-Octahydro-8'a-methyl-6'-hy
droxynaphthalen-1'-yl]-ethanone
6-methoxy-2-ethoxy-7-methyl-7H-purine
2-(1',3'-Dimethyl-1',2'-butadien-1'-yl)-3-(1",1"-dim
ethylethyl)--propiolactone
isoxazole,
4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-5-ethyl-3methyl
Molecular
Formula
Molecular
Weight
Area %
30.62
C14H26N2O3
270
0.53
19.16
C13H24N2
208
0.53
15.44
C13H20O2
208
0.53
11.21
9.47
C16H16
C13H20O2
208
208
0.53
0.53
6.68
2.44
C13H20O2
C13H20O2
208
208
0.53
0.53
2.15
1.69
C9H12N4O2
C13H20O2
208
208
0.53
0.53
0.49
C11H16N2O2
208
0.53


Compound Structure
3,3,6,9,9-Pentamethyl-2,10-diazabicyclo[4.4.0]-1-decene-2-hydroxycarbonate
Formula C14H26N2O3, MW 270, CAS# NA, Entry# 306124
3,3,6,9,9-PENTAMETHYL-2,10-DIAZABICYCLO[4.4.0]-1-DECENE-2-HYDROGENCARBONATE
Hit Spectrum
100
80
173
60
40
OH
N
109
194
209
20
NL: 9.99E2
A-169415 12.06 1 6.00, 5
6.48E6 + c Full ms [50.00-650.00]
193
0
100
NL: 9.99E2
306124, CAS# NA,
3,3,6,9,9-Pentamethyl-2,10diazabicyclo[4.4.0]-1-decene-2hydroxycarbonate
193
80
60
NH
OH
40
208
20
0
200
400
600
m/z
3,3,6,9,9-Pentamethyl-2,10-diazabicyclo[4.4.0]-1-decene
2,2,4a,7,7-Pentamethyl-1,2,3,4,4a,5,6,7-octahydro[1,8]naphthyridine
NL: 9.99E2
A-169415 12.06 1 6.00, 5
6.48E6 + c Full ms
[50.00-650.00]
193
100
80
173
60
40
109
194
209
20
0
100
NL: 9.99E2
3,3,6,9,9-Pentamethyl-2,10diazabicyclo[4.4.0]-1-decene
193
80
60
40
208
20
209
100
NH
(1RS,2SR,5RS)-1,2,5-Trimethylbicyclo[3.3.0]oc-3-ene -2-acetic acid

Formula C13H20O2, MW 208, CAS# NA, Entry# 161488
200
300
400
500
600
m/z
NL: 9.99E2
A-169415 12.06 1 6.00, 5
6.48E6 + c Full ms
[50.00-650.00]
193
100
80
173
60
40
109
194
209
20
0
100
NL: 9.99E2
161488, CAS# NA,
(1RS,2SR,5RS)-1,2,5Trimethylbicyclo[3.3.0]oc-3-ene
-2-acetic acid
193
80
60
40
208
209
20
0
200
400
600
m/z
2-METHYL-1,1-DIPHENYL-1-PROPENE
1,1-Diphenyl-2-methylpropene
NL: 9.99E2
A-169415 12.06 1
6.00, 5 6.48E6 + c Full
ms [50.00-650.00]
193
100
80
173
60
40
109
194
209
20
0
100
NL: 9.99E2
Entry# 162279, CAS#
781-33-9,
2-METHYL-1,1DIPHENYL-1-PROPENE
193
80
60
40
194
209
20
0
100
200
300
400
500
600
m/z
2-(2,2-dimethylpropylidene)-5,5-dimethylcyclohexane-1,3-dione
1,3-Cyclohexanedione, 2-(2,2-dimethylpropylidene)-5,5-dimethyl- (CAS)
NL: 9.99E2
A-169415 12.06 1 6.00, 5
6.48E6 + c Full ms
[50.00-650.00]
193
100
80
173
60
40
20
0
100
109
194
209
NL: 9.99E2
161204, CAS# 83814-60-2,
2-(2,2-dimethylpropylidene)-5,5dimethylcyclohexane-1,3-dione
193
80
60
40
20
208
209
0
200
400
m/z
600

A-169 #443 RT: 12.65 AV: 1 RF: 6.00, 5 NL: 1.76E7

F: + c Full ms [50.00-650.00]
141.0
100
90
Relative Abundance
80
70
60
50
71.1
85.1
40
197.2
30
20
99.1
10
226.2
0
100
150
200
254.4 283.1
250
300
327.9
362.4 392.2 422.1

350
m/z
400
460.9
450
525.1
500
559.6
550
612.1
649.6
600

SI
RSI
672
668
660
654
650
649
648
638
633
633
707
724
760
755
866
668
667
670
668
668

1-(3-BUTENYL)-2-METHYLNAPHTHALENE
Pentadecane, 3-methyl3-ethyltetradecane
Hexadecane, 2-methylHexadecane, 2-methyl- (CAS)
5-Methoxybenz[e]indole
Hexadecane, 4-methyl- (CAS)
Hexadecane, 4-methyl-
19.70
16.64
19.70
19.70
8.58
8.25
8.25
5.66
4.56
4.56
Molecular
Formula
Molecular
Weight
Area %
C16H34
C15H16
C16H34
C16H34
C16H34
C17H36
C17H36
C13H11NO
C17H36
C17H36
226
196
226
226
226
240
240
197
240
240
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84
0.84


Compound Structure
3-Methylpentadecane
Hit Spectrum
100
80
57
60
154
71
40
197
99
20
0
100
NL: 9.99E2
A-169443 12.65 1
6.00, 5 1.76E7 + c
Full ms [50.00-650.00]
141
198
NL: 9.99E2
SI 672, RSI 707,
CAS# 2882-96-4,
57
80
60
71
40
85
20
197
141 198
99
0
100
1-(3-BUTENYL)-2-METHYLNAPHTHALENE
Naphthalene, 1-(3-butenyl)-2-methyl- (CAS)
60
300
m/z
400
500
600
NL: 9.99E2
A-169443 12.65 1
6.00, 5 1.76E7 + c Full
ms [50.00-650.00]
141
100
80
200
57
154
71
40
197
99
20
198
0
100
NL: 9.99E2
Entry# 135690, CAS#
56660-78-7,
1-(3-BUTENYL)-2METHYLNAPHTHALENE
154
155
80
196
60
40
20
197
0
100
200
300
400
500
600
m/z
3-Methylpentadecane
80
60
57
154
71
40
197
99
20
0
100
NL: 9.99E2
A-169443 12.65 1
6.00, 5 1.76E7 + c
Full ms [50.00-650.00]
141
100
198 227
NL: 9.99E2
SI 660, RSI 760,
CAS# 2882-96-4,
57
80
60
71
85
40
197
198 227
99
20
0
100
200
300
400
500
600
m/z
Pentadecane, 3-methylFormula C16H34, MW 226, CAS# 2882-96-4, Entry# 22392
3-Methylpentadecane
80
60
57
154
71
85
40
197
99
20
0
100
NL: 9.99E2
A-169443 12.65 1
6.00, 5 1.76E7 + c
Full ms
[50.00-650.00]
141
100
198 227
NL: 9.99E2
SI 654, RSI 755,
mainlib, Entry#
22392, CAS#
2882-96-4,
Pentadecane,
3-methyl-
57
80
60
71
85
40
99
20
197
198 226
141
0
100
200
300
400
500
600
m/z
3-ethyltetradecane
Tetradecane, 3-ethyl- (CAS)
80 57
60
40
20
NL: 9.99E2
A-169443 12.65 1
6.00, 5 1.76E7 + c
Full ms
[50.00-650.00]
141
100
71
154
85
197
99
198 227
0
100
NL: 9.99E2
SI 650, RSI 866,
Wiley9, Entry#
204658, CAS#
71958-48-0,
3-ethyltetradecane
197
80
196
60
141
40
155
20
0
100
198
199
200
300
400
m/z
500
600

A-169 #457 RT: 12.94 AV: 1 RF: 6.00, 5 NL: 4.54E7

F: + c Full ms [50.00-650.00]
156.1
100
90
Relative Abundance
80
70
141.0
60
50
40
30
20
10
77.0
172.1
0
100
150
207.2
200
252.2
250
295.2
300
327.0
362.6
350
m/z
408.4 438.0
400
450
481.9
500
546.0
596.6
550
600
636.0

SI
RSI
900
892
888
888
887
886
886
886
886
886
926
917
915
912
937
912
912
911
911
910

Naphthalene, 2,6-dimethylNaphthalene, 2,6-dimethyl- (CAS)
Naphthalene, 1,6-dimethyl- (CAS)
Naphthalene, 1,6-dimethyl1-methoxymethyl-4-methylnaphthalene
14.65
14.65
9.76
9.76
9.38
9.01
9.01
9.01
9.01
9.01
Molecular
Formula
Molecular
Weight
Area %
C12H12
C12H12
C12H12
C12H12
C13H14O
C12H12
C12H12
C12H12
C12H12
C12H12
156
156
156
156
186
156
156
156
156
156
1.10
1.10
1.10
1.10
1.10
1.10
1.10
1.10
1.10
1.10


Compound Structure
Naphthalene, 2,6-dimethylFormula C12H12, MW 156, CAS# 581-42-0, Entry# 129414
2,6-Dimethylnaphthalene
Hit Spectrum
NL: 9.99E2
A-169457 12.94 1
6.00, 5 4.54E7 + c
Full ms [50.00-650.00]
156
100
80
141
60
40
20
157
174
77 128
0
100
NL: 9.99E2
SI 900, RSI 926,
mainlib, Entry#
129414, CAS#
581-42-0,
Naphthalene,
2,6-dimethyl-
156
141
80
60
40
20
77 115
157
158
0
100
200
300
m/z
400
500
600
NL: 9.99E2
A-169457 12.94 1
6.00, 5 4.54E7 + c Full
ms [50.00-650.00]
156
100
80
141
60
40
20
157
174
77 128
0
100
NL: 9.99E2
Entry# 62294, CAS#
581-42-0, Naphthalene,
2,6-dimethyl- (CAS)
156
141
80
60
40
20
77
157
158
0
100
200
300
m/z
400
500
600
NL: 9.99E2
A-169457 12.94 1
6.00, 5 4.54E7 + c Full
ms [50.00-650.00]
156
100
80
141
60
40
20
157
174
77 128
0
100
NL: 9.99E2
Entry# 62264, CAS#
1,6-dimethyl- (CAS)
156
80
141
60
40
20
157
158
77 115
0
100
200
300
m/z
400
500
600
NL: 9.99E2
A-169457 12.94 1
6.00, 5 4.54E7 + c
Full ms [50.00-650.00]
156
100
80
141
60
40
20
157
174
77 128
0
100
NL: 9.99E2
SI 888, RSI 912,
mainlib, Entry#
129419, CAS#
575-43-9,
Naphthalene,
1,6-dimethyl-
156
80
141
60
40
20
157
158
77 115
0
100
1-methoxymethyl-4-methylnaphthalene
Naphthalene, 1-(methoxymethyl)-4-methyl- (CAS)
200
300
m/z
400
500
600
NL: 9.99E2
A-169457 12.94 1
6.00, 5 4.54E7 + c Full
ms [50.00-650.00]
156
100
80
60
141
40
20
80
157
174
128
0
100
NL: 9.99E2
Entry# 114671, CAS#
71235-76-2,
1-methoxymethyl-4methylnaphthalene
156
141
60
40
20
157
186
100
200
300
400
m/z
500
600

A-169 #475 RT: 13.32 AV: 1 RF: 6.00, 5 NL: 1.43E8

F: + c Full ms [50.00-650.00]
100
90
Relative Abundance
80
71.1
70
85.1
60
50
40
30
156.1
99.1
20
226.2
113.1
10
183.2
0
100
150
200
254.3 284.1
250
315.1 346.1
300
350
m/z
398.3
451.3
487.6 517.3
400
450
500
564.8
550
614.5
600

SI
RSI
841
839
819
818
813
808
807
806
790
783
885
878
853
908
893
829
819
838
893
848

Hexadecane (CAS)
Hexadecane (CAS)
Hexadecane (CAS)
Hexadecane (CAS)
Hexadecane (CAS)
Hexadecane
Hexadecane (CAS)
Hexadecane (CAS)
Hexadecane (CAS)
Hexadecane (CAS)
44.61
44.61
44.61
44.61
44.61
44.61
44.61
44.61
44.61
44.61
Molecular
Formula
Molecular
Weight
Area %
C16H34
C16H34
C16H34
C16H34
C16H34
C16H34
C16H34
C16H34
C16H34
C16H34
226
226
226
226
226
226
226
226
226
226
2.89
2.89
2.89
2.89
2.89
2.89
2.89
2.89
2.89
2.89


Compound Structure
Hexadecane (CAS)
n-Hexadecane
Hit Spectrum
NL: 9.99E2
A-169475 13.32
1 6.00, 5 1.43E8
+ c Full ms
[50.00-650.00]
57
100
71
80
85
60
40
20
0
100
99
55
156
226
227
54
NL: 9.99E2
SI 841, RSI 885,
Wiley9, Entry#
204604, CAS#
544-76-3,
Hexadecane (CAS)
57
43
80
71
60
85
40
20
226
99 128
0
100
Hexadecane (CAS)
n-Hexadecane
100
227
200
300
m/z
400
500
600
NL: 9.99E2
A-169475 13.32
1 6.00, 5 1.43E8
+ c Full ms
[50.00-650.00]
57
71
80
85
60
40
0
100
156
99
20
226
183 227
NL: 9.99E2
SI 839, RSI 878,
Wiley9, Entry#
204605, CAS#
544-76-3,
Hexadecane (CAS)
57
80
71
60
85
40
20
226
99 113
227
0
100
Hexadecane (CAS)
n-Hexadecane
100
200
300
m/z
400
500
600
NL: 9.99E2
A-169475 13.32
1 6.00, 5 1.43E8
+ c Full ms
[50.00-650.00]
57
71
80
85
60
40
0
100
156
99
20
226
183 227
NL: 9.99E2
SI 819, RSI 853,
Wiley9, Entry#
204603, CAS#
544-76-3,
Hexadecane (CAS)
57
80
71
60
85
40
20
99 113
169
100
Hexadecane (CAS)
n-Hexadecane
100
200
300
m/z
400
500
600
NL: 9.99E2
A-169475 13.32
1 6.00, 5 1.43E8
+ c Full ms
[50.00-650.00]
57
71
80
85
60
40
0
100
156
99
20
226
183 227
NL: 9.99E2
SI 818, RSI 908,
Wiley9, Entry#
204606, CAS#
544-76-3,
Hexadecane (CAS)
57
80
60
71
85
40
20
99 113
0
100
Hexadecane (CAS)
n-Hexadecane
100
80
226 227
200
300
m/z
400
500
600
NL: 9.99E2
A-169475 13.32
1 6.00, 5 1.43E8
+ c Full ms
[50.00-650.00]
57
71
85
60
40
99
20
156
0
57
100
226
183 227
NL: 9.99E2
SI 813, RSI 893,
Wiley9, Entry#
204602, CAS#
544-76-3,
Hexadecane (CAS)
80
60
40
20
71
85
99 113
0
100
226 227
200
300
400
m/z
500
600

A-169 #506 RT: 13.97 AV: 1 RF: 6.00, 5 NL: 1.35E7

F: + c Full ms [50.00-650.00]
100
90
Relative Abundance
80
70
60
141.1
156.1
71.1
50
85.1
40
30
98.1
20
183.2
10
211.2
0
100
150
200
254.3
250
282.3
300
326.9 355.9 386.2 415.2

350
m/z
400
456.2
503.2
450
500
561.7
550
625.2
600

SI
RSI
766
734
713
697
681
672
671
671
666
664
920
883
919
781
804
741
904
904
727
895

1,6-di-(1'-Propynyl] tricyclo[3.1.0.0(2,6)] hexane
1,2-Difluoro-3,4,5-trimethylbenzene
Nonadecane, 2,6,10,14-tetramethyl- (CAS)
Hexadecane (CAS)
2-phenylcyclohexa-1,3-diene
cyclohex-1,5-dienylbenzene
Pentadecane (CAS)
(E)-1-phenyl-4-hexen-1-yne
51.17
13.67
5.81
3.35
1.92
1.40
1.34
1.34
1.08
1.00
Molecular
Formula
Molecular
Weight
Area %
C13H14O
C12H12
C9H10F2
C12H12
C23H48
C16H34
C12H12
C12H12
C15H32
C12H12
186
156
156
156
324
226
156
156
212
156
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72
0.72


Compound Structure
Naphthalene, 1-(methoxymethyl)-4-methyl- (CAS)
Hit Spectrum
100
80
60
NL: 9.99E2
A-169506 13.97 1
6.00, 5 1.35E7 + c Full
ms [50.00-650.00]
57
141
71
156
85
40
98
20
0
100
169
254
NL: 9.99E2
Entry# 114671, CAS#
71235-76-2,
1-methoxymethyl-4methylnaphthalene
156
141
80
60
40
20
157
186
0
100
O
1,6-di-(1'-Propynyl] tricyclo[3.1.0.0(2,6)] hexane
200
300
400
500
600
m/z
100
80
60
NL: 9.99E2
A-169506 13.97 1 6.00,
[50.00-650.00]
57
141
71
156
85
40
98
20
169
0
100
254
NL: 9.99E2
1,6-di-(1'-Propynyl]
tricyclo[3.1.0.0(2,6)] hexane
156
115
80
60
40
20
157
158
0
100
200
300
400
500
600
m/z
1,2-Difluoro-3,4,5-trimethylbenzene
Formula C9H10F2, MW 156, CAS# 85649-61-2, Entry# 60959
100
80
60
40
NL: 9.99E2
A-169506 13.97 1
6.00, 5 1.35E7 + c Full
ms [50.00-650.00]
57
141
71
156
85
98
20
0
100
169
254
NL: 9.99E2
Entry# 60959, CAS#
85649-61-2,
1,2-Difluoro-3,4,5trimethylbenzene
141
80
156
60
40
20
157
0
100
200
300
400
500
600
m/z
100
80
60
NL: 9.99E2
A-169506 13.97 1
6.00, 5 1.35E7 + c Full
ms [50.00-650.00]
57
141
71
156
85
40
98
20
0
100
169
254
NL: 9.99E2
Entry# 62263, CAS#
1,6-dimethyl- (CAS)
156
80
141
60
40
57
71
20
85
157
158
0
100
Nonadecane, 2,6,10,14-tetramethyl- (CAS)
2,6,10,14-Tetramethylnonadecane
100
141
71
400
500
600
NL: 9.99E2
A-169506 13.97 1 6.00,
[50.00-650.00]
156
85
40
98
20
0
100
300
m/z
57
80
60
200
169
254
NL: 9.99E2
Entry# 425474, CAS#
55124-80-6, Nonadecane,
71
80
60
40
85
113
20
0
100
169 183
239
211
309
200
300
400
m/z
500
600

A-169 #526 RT: 14.40 AV: 1 RF: 6.00, 5 NL: 1.04E7

F: + c Full ms [50.00-650.00]
141.0
100
156.1
90
Relative Abundance
80
70
60
50
40
30
115.0
20
10
76.0
202.2
0
100
150
200
325.0 355.0 385.0
281.0
238.2
250
300
350
m/z
429.1
400
459.0
450
517.1
500
563.1
550
613.9
649.9
600

SI
RSI
805
797
796
795
794
792
790
788
787
786
933
924
920
921
922
922
916
923
912
914

14.83
11.07
11.07
10.21
9.81
9.05
14.83
7.64
7.35
9.05
Molecular
Formula
Molecular
Weight
Area %
C12H12
C12H12
C12H12
C12H12
C12H12
C12H12
C12H12
C12H12
C12H12
C12H12
156
156
156
156
156
156
156
156
156
156
0.15
0.15
0.15
0.15
0.15
0.15
0.15
0.15
0.15
0.15


Compound Structure
1,4-Dimethylnapthalene
Hit Spectrum
141
100
NL: 9.99E2
A-169526 14.40 1
6.00, 5 1.04E7 + c Full
ms [50.00-650.00]
156
80
60
40
20
159
115
77
0
100
160 202
141
429 475
355
NL: 9.99E2
Entry# 62250, CAS#
1,4-dimethyl- (CAS)
156
80
60
40
20
115
77
157
0
100
200
300
400
500
600
m/z
Guajen
141
100
NL: 9.99E2
A-169526 14.40 1
6.00, 5 1.04E7 + c
Full ms [50.00-650.00]
156
80
60
159
40
115
77
20
0
100
160 202
429 475
355
NL: 9.99E2
SI 797, RSI 924,
mainlib, Entry#
114667, CAS#
581-40-8,
Naphthalene,
2,3-dimethyl-
141
80
60
40
20
76
115
157
158
0
100
200
141
100
300
m/z
400
500
600
NL: 9.99E2
A-169526 14.40 1
6.00, 5 1.04E7 + c Full
ms [50.00-650.00]
156
80
60
40
20
159
115
77
0
100
160 202
429 475
355
NL: 9.99E2
Entry# 62284, CAS#
2,3-dimethyl- (CAS)
156
141
80
60
40
20
115
76
157
158
0
100
1,2-DIMETHYL NAPHTHALENE
200
141
100
300
400
m/z
500
600
NL: 9.99E2
A-169526 14.40 1
6.00, 5 1.04E7 + c Full
ms [50.00-650.00]
156
80
60
40
159
20
115
77
0
100
141
160 202 281 355
429 475
NL: 9.99E2
Entry# 62232, CAS#
1,2-dimethyl- (CAS)
156
80
60
40
20
115
77
157
158
0
100
200
300
400
500
600
m/z
141
100
NL: 9.99E2
A-169526 14.40 1
6.00, 5 1.04E7 + c
Full ms [50.00-650.00]
156
80
60
40
20
159
115
77
0
100
160 202
355
429 475
NL: 9.99E2
SI 794, RSI 922,
mainlib, Entry#
129416, CAS#
575-37-1,
Naphthalene,
1,7-dimethyl-
156
141
80
60
40
20
77
115
0
100
157
158
200
300
m/z
400
500
600

A-169 #556 RT: 15.05 AV: 1 RF: 6.00, 5 NL: 7.89E6

F: + c Full ms [50.00-650.00]
71.1
100
90
Relative Abundance
80
70
60
50
85.1
40
113.1
30
183.2
99.1
20
127.1
161.0
10
218.2
268.3
331.1
0
100
150
200
250
300
366.6
350
m/z
421.0
400
452.4
505.1
450
500
541.4
550
590.6
638.2
600

SI
RSI
771
766
755
746
745
744
743
740
736
731
881
887
818
844
841
846
819
836
765
846

PENTADECANE, 2,6,10,14-TETRAMETHYLPentadecane, 2,6,10,14-tetramethylHexadecane, 2,6,10-trimethyl- (CAS)
Hexadecane, 2,6,10-trimethylPentadecane, 2,6,10,14-tetramethyl- (CAS)
50.06
50.06
50.06
50.06
14.99
50.06
50.06
14.99
50.06
50.06
Molecular
Formula
Molecular
Weight
Area %
C19H40
C19H40
C19H40
C19H40
C19H40
C19H40
C19H40
C19H40
C19H40
C19H40
268
268
268
268
268
268
268
268
268
268
0.40
0.40
0.40
0.40
0.40
0.40
0.40
0.40
0.40
0.40


Compound Structure
Pristane
Hit Spectrum
100
NL: 9.98E2
A-169556 15.05 1 6.00,
[50.00-650.00]
71
80
60
85
113 183
40
20
0
100
80
268 269
NL: 9.99E2
Entry# 303347, CAS#
57
71
60
40
85
183
268
182
269
184
20
0
100
200
300
400
500
600
m/z
Pristane
100
NL: 9.98E2
A-169556 15.05 1 6.00,
[50.00-650.00]
71
80
60
85
113
40
183
20
0
100
80
268 269
NL: 9.99E2
Entry# 303350, CAS#
57
71
60
40
85
183
268
182
269
184
20
0
100
200
300
400
500
600
m/z
PENTADECANE, 2,6,10,14-TETRAMETHYLFormula C19H40, MW 268, CAS# 1921-70-6, Entry# 303339
2,6,10,14-TETRAMETHYLPENTADECANE
80
NL: 9.98E2
A-169556 15.05 1
6.00, 5 7.89E6 + c Full
ms [50.00-650.00]
71
100
57
60
85
113 183
40
20
0
100
268 269
NL: 9.99E2
Entry# 303339, CAS#
1921-70-6,
PENTADECANE,
2,6,10,14TETRAMETHYL-
57
80
71
60
40
85
20
113
183
0
100
Pentadecane, 2,6,10,14-tetramethylFormula C19H40, MW 268, CAS# 1921-70-6, Entry# 23601
Bute hydrocarbon
100
268
200
300
m/z
400
500
600
NL: 9.98E2
A-169556 15.05 1
6.00, 5 7.89E6 + c Full
ms [50.00-650.00]
71
80
60
85
113 183
40
20
0
100
268 269
NL: 9.99E2
Entry# 23601, CAS#
2,6,10,14-tetramethyl-
57
71
80
60
40
85
20
113
183
0
100
Hexadecane, 2,6,10-trimethyl- (CAS)
2,6,10-TRIMETHYL-HEXADECANE
100
200
253
300
400
m/z
500
600
NL: 9.98E2
A-169556 15.05 1
6.00, 5 7.89E6 + c Full
ms [50.00-650.00]
71
80
60
85
113
40
20
0
100
80
183
218 268 269
NL: 9.99E2
Entry# 303306, CAS#
55000-52-7, Hexadecane,
57
71
60
40
20
0
85 112
183
182 184 253
100
200
300
400
m/z
500
600

A-169 #573 RT: 15.41 AV: 1 RF: 6.00, 5 NL: 4.21E7

F: + c Full ms [50.00-650.00]
100
90
Relative Abundance
80
71.1
85.1
70
60
50
40
30
99.1
240.3
20
10
169.2
262.3 292.2
0
100
150
200
250
300
326.9
365.5
350
m/z
405.2 436.7
400
450
471.2
509.5
500
549.0
550
610.9
648.6
600

SI
RSI
900
889
883
883
878
870
844
841
835
834
906
891
892
885
881
912
904
842
840
907

Heptadecane (CAS)
Heptadecane
Heptadecane (CAS)
Heptadecane (CAS)
HEPTADECANE
Heptadecane (CAS)
Nonadecane (CAS)
Heptadecane (CAS)
Heptadecane (CAS)
Hexadecane (CAS)
41.70
41.70
41.70
41.70
41.70
41.70
7.95
41.70
41.70
5.61
Molecular
Formula
Molecular
Weight
Area %
C17H36
C17H36
C17H36
C17H36
C17H36
C17H36
C19H40
C17H36
C17H36
C16H34
240
240
240
240
240
240
268
240
240
226
0.38
0.38
0.38
0.38
0.38
0.38
0.38
0.38
0.38
0.38


Compound Structure
Heptadecane (CAS)
n-Heptadecane
Hit Spectrum
100
80
NL: 9.99E2
A-169573 15.41 1
6.00, 5 4.21E7 +
c Full ms
[50.00-650.00]
57
71
85
60
40
99
20
0
100
80
113
169
240
241
NL: 9.99E2
SI 900, RSI 906,
Wiley9, Entry#
237735, CAS#
629-78-7,
Heptadecane (CAS)
57
71
60
85
40
99
20
240
113
0
100
200
241
300
400
500
600
m/z
Heptadecane
n-Heptadecane
100
NL: 9.99E2
A-169573 15.41
1 6.00, 5 4.21E7
+ c Full ms
[50.00-650.00]
57
71
80
85
60
40
99
20
0
100
113
240
169 241
NL: 9.99E2
SI 889, RSI 891,
mainlib, Entry#
22556, CAS#
629-78-7,
Heptadecane
57
80
71
60
85
40
20
99 113
240 241
0
100
Heptadecane (CAS)
n-Heptadecane
100
200
300
m/z
400
500
600
NL: 9.99E2
A-169573 15.41 1
6.00, 5 4.21E7 +
c Full ms
[50.00-650.00]
57
71
80
85
60
40
99
20
0
100
240
169 241
113
NL: 9.99E2
SI 883, RSI 892,
Wiley9, Entry#
237737, CAS#
629-78-7,
Heptadecane (CAS)
57
80
71
60
85
40
20
99
113
240 241
0
100
200
300
400
500
600
m/z
Heptadecane (CAS)
n-Heptadecane
100
80
NL: 9.99E2
A-169573 15.41 1
6.00, 5 4.21E7 +
c Full ms
[50.00-650.00]
57
71
85
60
40
99
20
0
100
43
113
169
240
241
NL: 9.99E2
SI 883, RSI 885,
Wiley9, Entry#
237734, CAS#
629-78-7,
Heptadecane (CAS)
57
80
60
40
71
85
20
99 113
240 241
0
100
200
300
400
500
600
m/z
HEPTADECANE
AI3-36898
100
80
NL: 9.99E2
A-169573 15.41
1 6.00, 5 4.21E7
+ c Full ms
[50.00-650.00]
57
71
85
60
40
99
20
0
100
113
169
240
241
NL: 9.99E2
SI 878, RSI 881,
Wiley9, Entry#
237733, CAS#
629-78-7,
HEPTADECANE
57
80
60
40
20
0
71
85
99 113
155 240
100
200
300
400
m/z
500
600

A-169 #588 RT: 15.72 AV: 1 RF: 6.00, 5 NL: 2.13E7

F: + c Full ms [50.00-650.00]
170.1
100
155.1
90
Relative Abundance
80
70
60
50
40
30
20
128.1
10
85.1
218.2
0
100
150
200
268.3
250
323.2
300
356.3
350
m/z
402.0
400
494.4
450
500
546.2 575.0
550
607.8
645.5
600

SI
RSI
931
918
910
909
895
893
890
889
888
888
939
926
918
959
954
900
895
897
896
896

Naphthalene, 1,6,7-trimethylNaphthalene, 2,3,6-trimethylNaphthalene, 2,3,6-trimethyl- (CAS)
Naphthalene, 2,3,6-trimethyl- (CAS)
AZULENE, 2,4,6-TRIMETHYLNaphthalene, 1,6,7-trimethyl- (CAS)
Naphthalene, 1,4,6-trimethylNaphthalene, 1,4,6-trimethyl- (CAS)
39.32
25.40
25.40
25.40
9.27
39.32
39.32
7.29
7.00
7.00
Molecular
Formula
Molecular
Weight
Area %
C13H14
C13H14
C13H14
C13H14
C13H14
C13H14
C13H14
C13H14
C13H14
C13H14
170
170
170
170
170
170
170
170
170
170
0.46
0.46
0.46
0.46
0.46
0.46
0.46
0.46
0.46
0.46


Compound Structure
Naphthalene, 1,6,7-trimethylFormula C13H14, MW 170, CAS# 2245-38-7, Entry# 140752
Naphthalene, 2,3,5-trimethyl-
Hit Spectrum
155
100
NL: 9.99E2
A-169588 15.72 1
6.00, 5 2.13E7 + c Full
ms [50.00-650.00]
170
80
60
40
20
153
115 128
0
100
171
172 236
170
NL: 9.99E2
SI 931, RSI 939,
CAS# 2245-38-7,
Naphthalene,
1,6,7-trimethyl-
155
80
60
40
20
0
153
115
171
172
100
2,3,6-Trimethylnaphthalene
200
155
100
300
m/z
400
500
600
NL: 9.99E2
A-169588 15.72 1
6.00, 5 2.13E7 + c
Full ms [50.00-650.00]
170
80
60
40
20
153
115 128
0
100
171
172 236
170
NL: 9.99E2
SI 918, RSI 926,
CAS# 829-26-5,
Naphthalene,
2,3,6-trimethyl-
80
155
60
40
20
0
171
172
153
115
100
300
m/z
400
500
600
NL: 9.99E2
A-169588 15.72 1
6.00, 5 2.13E7 + c Full
ms [50.00-650.00]
170
155
100
200
80
60
40
20
153
115 128
171
172 236
170
155
0
100
NL: 9.99E2
Entry# 85521, CAS#
80
60
40
20
115
153
171
172
0
100
200
300
400
500
600
m/z
155
100
NL: 9.99E2
A-169588 15.72 1
6.00, 5 2.13E7 + c Full
ms [50.00-650.00]
170
80
60
40
20
85
153
128
0
100
171
172 236
170
NL: 9.99E2
Entry# 85525, CAS#
80
155
60
40
153
20
171
172
0
100
200
300
400
500
600
m/z
AZULENE, 2,4,6-TRIMETHYLFormula C13H14, MW 170, CAS# 941-81-1, Entry# 85488
4,6,8-Trimethylazulene
155
100
NL: 9.99E2
A-169588 15.72 1
6.00, 5 2.13E7 + c
Full ms [50.00-650.00]
170
80
60
40
20
85
153
128
0
100
80
171
172 236
170
NL: 9.99E2
SI 895, RSI 954,
CAS# 941-81-1,
AZULENE,
2,4,6-TRIMETHYL-
155
60
40
20
153
0
100
171
172
200
300
400
m/z
500
600

A-169 #610 RT: 16.19 AV: 1 RF: 6.00, 5 NL: 1.37E6

F: + c Full ms [50.00-650.00]
119.1
100
90
Relative Abundance
80
70
60
50
91.0
40
30
20
218.2
143.1
77.0
189.2
10
239.3
0
100
150
200
250
296.3
344.9
300
350
m/z
384.9 413.5
400
455.0
450
543.2
500
594.8
550
641.9
600

SI
RSI
508
503
490
488
484
475
634
629
515
760
603
588
474
473
473
792
791
586
472
572

BENZENE, (1-ETHYLOCTYL)Benzene, (1-ethyloctyl)Benzene, (1-ethyloctadecyl)- (CAS)
3,3-Dimethyl-1-(2,5-Dimethylphenyl)butanone
5-(aminooxy)pent-1-enylbenzene
Benzene,
1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis2,4-Dimethylamphetamine
2,4-Dimethylamphetamine
Benzene,
1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis- (CAS)
BENZENE,
1-(1,5-DIMETHYL-4-HEXENYL)-4-METHYL-
Molecular
Formula
Molecular
Weight
Area %
15.01
15.01
7.74
7.14
6.03
4.38
C16H26
C16H26
C26H46
C14H20O
C11H15NO
C18H22
218
218
358
204
177
238
0.39
0.39
0.39
0.39
0.39
0.39
4.21
4.21
4.38
C11H17N
C11H17N
C18H22
163
163
238
0.39
0.39
0.39
3.88
C15H22
202
0.39


Compound Structure
BENZENE, (1-ETHYLOCTYL)Formula C16H26, MW 218, CAS# 4621-36-7, Entry# 184352
3-PHENYLDECANE
Hit Spectrum
100
80
60
NL: 9.99E2
A-169610 16.19 1
6.00, 5 1.37E6 + c
Full ms [50.00-650.00]
119
57
115
40
120
143 218
20
219 254
0
100
NL: 9.99E2
SI 508, RSI 634,
Wiley9, Entry#
184352, CAS#
4621-36-7, BENZENE,
(1-ETHYLOCTYL)-
91
80
60
119
40
20
41
189 218
0
100
Benzene, (1-ethyloctyl)Formula C16H26, MW 218, CAS# 4621-36-7, Entry# 56030
Decane, 3-phenyl-
60
300
m/z
400
500
600
NL: 9.99E2
A-169610 16.19 1
6.00, 5 1.37E6 + c
Full ms [50.00-650.00]
119
100
80
200
57
115
40
120
143 218
20
219 254
0
100
NL: 9.99E2
SI 503, RSI 629,
CAS# 4621-36-7,
Benzene,
(1-ethyloctyl)-
91
80
60
119
40
20
41
189 218
0
100
Benzene, (1-ethyloctadecyl)- (CAS)
Eicosane, 3-phenyl-
60
300
m/z
400
500
600
NL: 9.99E2
A-169610 16.19 1
6.00, 5 1.37E6 + c Full
ms [50.00-650.00]
119
100
80
200
57
115
40
20
120
143 218
219 254
0
100
NL: 9.99E2
Entry# 485840, CAS#
2400-02-4, Benzene,
(1-ethyloctadecyl)- (CAS)
91
119
80
60
40
20
43
57
120
161 245
0
100
200
300
400
500
600
m/z
3,3-Dimethyl-1-(2,5-Dimethylphenyl)butanone
80
60
40
57
115
20
0
100
NL: 9.99E2
A-169610 16.19 1
6.00, 5 1.37E6 + c Full
ms [50.00-650.00]
119
100
120
143 218
219 254
NL: 9.99E2
3,3-Dimethyl-1-(2,5Dimethylphenyl)butanone
41 91
80
60
40
204
20
205
0
100
200
300
400
500
600
m/z
5-(aminooxy)pent-1-enylbenzene
Formula C11H15NO, MW 177, CAS# NA, Entry# 96060
80
60
40
57
115
120
143
20
0
100
NL: 9.99E2
A-169610 16.19 1
6.00, 5 1.37E6 + c
Full ms
[50.00-650.00]
119
100
218
219 254
NL: 9.99E2
SI 484, RSI 603,
CAS# NA,
5-(aminooxy)pent-1enylbenzene
91
130
80
60
40
20
NH2
77
0
100
143
160
200
300
400
m/z
500
600

A-169 #629 RT: 16.58 AV: 1 RF: 6.00, 5 NL: 6.22E6

F: + c Full ms [50.00-650.00]
170.1
100
90
Relative Abundance
80
70
60
50
40
30
20
128.1
10
84.1
190.1
0
100
150
200
236.2
296.1 327.0
250
300
350
m/z
377.1 407.2
400
447.7
501.6
450
500
534.8
584.1
550
638.7
600

SI
RSI
924
910
896
886
886
882
881
880
880
880
937
916
909
899
898
895
889
893
892
892

Naphthalene, 1,6,7-trimethylNaphthalene, 2,3,6-trimethylNaphthalene, 1,6,7-trimethyl- (CAS)
Naphthalene, 1,4,6-trimethylNaphthalene, 1,4,6-trimethyl- (CAS)
4,6,8-Trimethylazulene
AZULENE, 2,4,6-TRIMETHYLNaphthalene, 1,4,5-trimethylNaphthalene, 1,4,5-trimethyl- (CAS)
39.66
24.83
39.66
8.32
8.32
7.02
39.66
7.02
6.48
6.48
Molecular
Formula
Molecular
Weight
Area %
C13H14
C13H14
C13H14
C13H14
C13H14
C13H14
C13H14
C13H14
C13H14
C13H14
170
170
170
170
170
170
170
170
170
170
0.23
0.23
0.23
0.23
0.23
0.23
0.23
0.23
0.23
0.23


Compound Structure
Naphthalene, 2,3,5-trimethyl-
Hit Spectrum
NL: 9.98E2
A-169629 16.58 1
6.00, 5 6.22E6 + c Full
ms [50.00-650.00]
170
100
80
60
40
20
0
100
153
115
84
171
172 236
170
NL: 9.99E2
SI 924, RSI 937,
CAS# 2245-38-7,
Naphthalene,
1,6,7-trimethyl-
155
80
60
40
20
0
153
115
171
172
100
200
300
m/z
400
500
600
NL: 9.98E2
A-169629 16.58 1
6.00, 5 6.22E6 + c
Full ms [50.00-650.00]
170
100
80
60
40
20
0
100
84
153
115
171
172 236
170
NL: 9.99E2
SI 910, RSI 916,
CAS# 829-26-5,
Naphthalene,
2,3,6-trimethyl-
80
155
60
40
20
0
171
172
153
115
100
200
300
m/z
400
500
600
NL: 9.98E2
A-169629 16.58 1
6.00, 5 6.22E6 + c Full
ms [50.00-650.00]
170
100
80
60
40
20
153
115
0
100
171
172 236
170
NL: 9.99E2
Entry# 85514, CAS#
155
80
60
40
20
77
153
171
172
0
100
200
300
400
m/z
500
600
NL: 9.98E2
A-169629 16.58 1
6.00, 5 6.22E6 + c Full
ms [50.00-650.00]
170
100
80
60
40
20
153
115
0
100
171
172 236
NL: 9.99E2
SI 886, RSI 899,
CAS# 2131-42-2,
Naphthalene,
1,4,6-trimethyl-
155
170
80
60
40
20
115
153
171
0
100
200
300
400
500
600
m/z
NL: 9.98E2
A-169629 16.58 1
6.00, 5 6.22E6 + c Full
ms [50.00-650.00]
170
100
80
60
40
20
153
115
0
100
171
172 236
NL: 9.99E2
Entry# 85509, CAS#
155
170
80
60
40
20 115
153
171
0
100
200
300
400
m/z
500
600

A-169 #673 RT: 17.53 AV: 1 RF: 6.00, 5 NL: 1.83E7

F: + c Full ms [50.00-650.00]
100
90
Relative Abundance
80
71.1
85.1
70
60
50
40
30
99.1
20
113.1
10
141.1
0
100
150
169.1
254.3
197.2 225.2
200
281.0
250
326.8
300
350
m/z
377.0
426.7
400
461.2
450
497.9
500
558.1
550
591.2
632.1
600

SI
RSI
897
897
889
880
877
868
867
864
857
857
901
901
894
881
879
909
889
870
906
899

Octadecane (CAS)
Octadecane
Octadecane (CAS)
Octadecane (CAS)
Octadecane (CAS)
Octadecane (CAS)
Octadecane (CAS)
OCTADECANE
Nonadecane (CAS)
Octadecane (CAS)
28.74
28.74
28.74
28.74
28.74
28.74
28.74
28.74
6.66
28.74
Molecular
Formula
Molecular
Weight
Area %
C18H38
C18H38
C18H38
C18H38
C18H38
C18H38
C18H38
C18H38
C19H40
C18H38
254
254
254
254
254
254
254
254
268
254
0.27
0.27
0.27
0.27
0.27
0.27
0.27
0.27
0.27
0.27


Compound Structure
Octadecane
n-Octadecane
Hit Spectrum
NL: 9.99E2
A-169673 17.53
1 6.00, 5 1.83E7
+ c Full ms
[50.00-650.00]
57
100
71
80
85
60
40
20
0
100
55
99
113 169 254
54
255
NL: 9.99E2
SI 897, RSI 901,
mainlib, Entry#
22577, CAS#
593-45-3,
Octadecane
57
80
71
60
85
40
20
99 113 169 254

255
100
Octadecane (CAS)
n-Octadecane
200
300
m/z
400
500
600
NL: 9.99E2
A-169673 17.53
1 6.00, 5 1.83E7
+ c Full ms
[50.00-650.00]
57
100
71
80
85
60
40
20
0
100
55
99
54
113 169 254

NL: 9.99E2
SI 897, RSI 901,
Wiley9, Entry#
270489, CAS#
593-45-3,
Octadecane (CAS)
57
80
71
60
85
40
20
254
99 113
0
100
Octadecane (CAS)
n-Octadecane
100
80
200
255
300
m/z
400
500
600
NL: 9.99E2
A-169673 17.53
1 6.00, 5 1.83E7
+ c Full ms
[50.00-650.00]
57
71
85
60
40
99
20
0
100
113 169 254
255
NL: 9.99E2
SI 889, RSI 894,
Wiley9, Entry#
270491, CAS#
593-45-3,
Octadecane (CAS)
57
80
60
71
85
40
20
99 113
155 254 255
100
200
300
400
500
600
m/z
Octadecane (CAS)
n-Octadecane
100
NL: 9.99E2
A-169673 17.53
1 6.00, 5 1.83E7
+ c Full ms
[50.00-650.00]
57
71
80
85
60
40
99
20
0
100
113 169 254
255
NL: 9.99E2
SI 880, RSI 881,
Wiley9, Entry#
270490, CAS#
593-45-3,
Octadecane (CAS)
57
71
80
60
85
40
99
20
0
100
Octadecane (CAS)
n-Octadecane
100
80
113
169 254 255

200
300
m/z
400
500
600
NL: 9.99E2
A-169673 17.53
1 6.00, 5 1.83E7
+ c Full ms
[50.00-650.00]
57
71
85
60
40
99
20
0
100
113 169 254
255
NL: 9.99E2
SI 877, RSI 879,
Wiley9, Entry#
270492, CAS#
593-45-3,
Octadecane (CAS)
57
80
60
40
20
0
71
85
99 113
155 254
100
200
300
m/z
400
500
600

A-169 #708 RT: 18.27 AV: 1 RF: 6.00, 5 NL: 1.22E6

F: + c Full ms [50.00-650.00]
184.1
100
90
169.1
Relative Abundance
80
70
60
50
40
85.1
30
152.1
20
120.1
10
232.2
0
100
150
200
268.3
250
377.2
326.9
300
350
m/z
432.0
400
450
529.3
471.4
500
570.7
550
603.2
648.6
600

SI
RSI
847
847
846
845
839
838
835
963
963
962
961
954
952
948
828
940
824
939
823
935

1,4,6,8-Tetramethylazulene
1,4,5,8-Tetramethylnaphthalene
2-(1-Methylethyl)-1-naphthol
1,1'-Biphenyl, 4-methoxy- (CAS)
1,6,6-trimethyl-3,4-benzotricyclo[3.2.0.0(2,7)]hepte
ne
2,6,6-trimethyl-3,4-benzotricyclo[3.2.0.0(2,7)]heote
ne
1,4,5,6-Tetramethylbicyclo[2.2.0]hexa-2,5-diene-2
,3-dicarbonitrile
1-Acetyl-3-methylazulene
Molecular
Formula
Molecular
Weight
Area %
12.22
12.22
11.75
11.29
8.88
8.53
7.54
C14H16
C14H16
C14H16
C14H16
C13H12O
C13H12O
C14H16
184
184
184
184
184
184
184
0.06
0.06
0.06
0.06
0.06
0.06
0.06
5.77
C14H16
184
0.06
4.88
C12H12N2
184
0.06
4.69
C13H12O
184
0.06


Compound Structure
Hit Spectrum
NL: 9.99E2
A-169708 18.27 1
6.00, 5 1.22E6 + c
Full ms
[50.00-650.00]
184
169
100
80
60
40
85
167
185
232 268
184
169
20
0
100
377
529
NL: 9.99E2
SI 847, RSI 963,
Wiley9, Entry#
111310, CAS# NA,
4,5,7,8Tetramethylazulene
80
60
40
185
186
20
0
100
200
300
400
500
600
m/z
NL: 9.99E2
A-169708 18.27 1
6.00, 5 1.22E6 + c
Full ms
[50.00-650.00]
184
169
100
80
60
40
85
20
0
100
167
185
232 268
169 184
377
529
NL: 9.99E2
SI 847, RSI 963,
Wiley9, Entry#
111311, CAS# NA,
80
60
40
185
186
20
0
100
200
300
400
500
600
m/z
1,4,5,8-Tetramethylnaphthalene
NL: 9.99E2
A-169708 18.27 1
6.00, 5 1.22E6 + c Full
ms [50.00-650.00]
184
169
100
80
60
40
85
20
167
0
100
80
185
232 268
184
377
529
NL: 9.99E2
Entry# 111280, CAS#
2717-39-7,
1,4,5,8Tetramethylnaphthalene
169
60
40
185
186
20
0
100
200
300
400
500
600
m/z
NL: 9.99E2
A-169708 18.27 1
6.00, 5 1.22E6 + c
Full ms
[50.00-650.00]
184
169
100
80
60
40
85
20
167
0
100
80
185
232 268
184
377
529
NL: 9.99E2
SI 845, RSI 961,
Wiley9, Entry#
111275, CAS# NA,
169
60
40
185
186
20
0
100
200
300
400
500
600
m/z
2-(1-Methylethyl)-1-naphthol
NL: 9.99E2
A-169708 18.27 1
6.00, 5 1.22E6 + c
Full ms
[50.00-650.00]
184
169
100
80
60
40
85
20
0
100
167
185
232 268
377
529
NL: 9.99E2
SI 839, RSI 954,
Wiley9, Entry#
110997, CAS# NA,
2-(1-Methylethyl)-1naphthol
169
184
80
60
40
20
185
0
100
200
300
400
m/z
500
600

A-169 #733 RT: 18.80 AV: 1 RF: 6.00, 5 NL: 7.71E4

F: + c Full ms [50.00-650.00]
159.1
100
90
Relative Abundance
80
70
60
50
143.1
40
30
20
212.1
73.1 102.0
230.2
261.2
10
315.4
356.0
429.3
0
100
150
200
250
300
350
m/z
400
531.3 561.9
467.3
450
500
550
599.0
648.3
600

SI
RSI
356
570
347
346
601
639
343
341
468
600
331
331
319
513
416
698
318
314
495
524

1-[2',3'-bis(acetoxy)propoxy]-?-acetoxy-2,?-bis(met
hoxy)benzene
4,5-Dimethyl-1,3-diselenol-2-one
N-[2,3-Dihydro-1,3-dimethyl-3-(prop-2'-enyl)-1H-in
dol-2-ylidene]-acetamide
1-hydroxy-4,5,5-trimethylpyrrolidine-2-thione
(4S)-4,5-Dihydro-2-(8'-quinolinyl)-4-isopropyloxaz
ole
1,5-Dihydro-3,5-dimethyl-2-benzoxepine
1-[2-(4-Tolyl)ethynyl]cyclobutanol
2-(1-methyl-2-anti-hydroxy-2-ethenyl-propylmethy
lene)-1,3-dithiacyclohexane
1-(p-Tolyl)cyclopentene
1-[4-(Methylsulfonyl)phenyl]-1H-imidazole
Molecular
Formula
Molecular
Weight
Area %
12.27
C17H22O9
370
0.05
8.90
8.56
C5H6OSe2
C15H18N2O
242
242
0.05
0.05
7.56
6.97
C7H13NOS
C15H16N2O
159
240
0.05
0.05
4.92
4.92
3.28
C12H14O
C13H14O
C11H18OS2
174
186
230
0.05
0.05
0.05
3.15
2.66
C12H14
C10H10N2O2S
158
222
0.05
0.05


Compound Structure
1-[2',3'-bis(acetoxy)propoxy]-?-acetoxy-2,?-bis(methoxy)benzene
Formula C17H22O9, MW 370, CAS# NA, Entry# 502624
Hit Spectrum
NL: 9.99E2
A-169733 18.80 1 6.00, 5
7.71E4 + c Full ms
[50.00-650.00]
159
100
80
60
143
40
20
212
73
0
100
230
356
429
531 599
NL: 9.99E2
502624, CAS# NA,
1-[2',3'-bis(acetoxy)propoxy]-?acetoxy-2,?bis(methoxy)benzene
159
80
60
40
170
155
20
370
171 231
200
371
400
600
m/z
4,5-Dimethyl-1,3-diselenol-2-one
Formula C5H6OSe2, MW 242, CAS# NA, Entry# 239340
NL: 9.99E2
A-169733 18.80 1
6.00, 5 7.71E4 + c
Full ms [50.00-650.00]
159
100
80
60
143
40
20
73
212
94
0
100
230
356
429
531
599 634
NL: 9.99E2
SI 347, RSI 601,
Wiley9, Entry#
239340, CAS# NA,
4,5-Dimethyl-1,3diselenol-2-one
242
240
80
60
238
40
244
210
20
0
100
200
300
400
500
600
m/z
N-[2,3-Dihydro-1,3-dimethyl-3-(prop-2'-enyl)-1H-indol-2-ylidene]-acetamide
NL: 9.99E2
A-169733 18.80 1 6.00, 5
7.71E4 + c Full ms [50.00-650.00]
159
100
80
60
143
40
20
212
73
0
100
230
356 429
531 599
NL: 9.99E2
241547, CAS# NA,
N-[2,3-Dihydro-1,3-dimethyl-3(prop-2'-enyl)-1H-indol-2-ylidene]acetamide
159
80
60
40
20
186 242
243
143
200
400
600
m/z
1-hydroxy-4,5,5-trimethylpyrrolidine-2-thione
Formula C7H13NOS, MW 159, CAS# 118699-65-3, Entry# 65175
2-Pyrrolidinethione, 1-hydroxy-4,5,5-trimethyl- (CAS)
NL: 9.99E2
A-169733 18.80 1 6.00, 5
7.71E4 + c Full ms
[50.00-650.00]
159
100
80
60
143
40
20
212
73
0
100
230
356
429
531
599 634
NL: 9.99E2
Entry# 65175, CAS#
118699-65-3,
1-hydroxy-4,5,5trimethylpyrrolidine-2-thione
110
80
60
N
OH
40
154
69
159
20
160
0
100
200
300
400
500
600
m/z
(4S)-4,5-Dihydro-2-(8'-quinolinyl)-4-isopropyloxazole
NL: 9.99E2
A-169733 18.80 1 6.00, 5
7.71E4 + c Full ms
[50.00-650.00]
159
100
80
60
143
40
20
0
100
212
73
60
356
429
531
599 634
NL: 9.99E2
(4S)-4,5-Dihydro-2-(8'quinolinyl)-4-isopropyloxazole
197
80
230
143
128
198
40
20
101
0
100
200
300
400
m/z
500
600

A-169 #770 RT: 19.60 AV: 1 RF: 6.00, 5 NL: 8.06E6

F: + c Full ms [50.00-650.00]
100
90
71.1
Relative Abundance
80
85.1
70
60
50
40
30
99.1
20
113.1
10
141.1
0
100
150
268.3
183.2 211.2 239.3
200
302.3
250
300
357.1
350
m/z
388.9
400
429.3
461.2
450
499.9
500
531.0
576.3
550
633.7
600

SI
RSI
891
889
877
873
868
863
854
852
847
847
909
904
889
895
879
878
908
876
892
890

Nonadecane (CAS)
Nonadecane (CAS)
NONADECANE
Nonadecane (CAS)
Nonadecane
Nonadecane (CAS)
Nonadecane (CAS)
Nonadecane (CAS)
Eicosane
Pentacosane (CAS)
33.15
33.15
33.15
33.15
33.15
33.15
33.15
33.15
7.18
7.18
Molecular
Formula
Molecular
Weight
Area %
C19H40
C19H40
C19H40
C19H40
C19H40
C19H40
C19H40
C19H40
C20H42
C25H52
268
268
268
268
268
268
268
268
282
352
0.14
0.14
0.14
0.14
0.14
0.14
0.14
0.14
0.14
0.14


Compound Structure
Nonadecane (CAS)
n-Nonadecane
Hit Spectrum
100
80
NL: 9.99E2
A-169770 19.60
1 6.00, 5 8.06E6
+ c Full ms
[50.00-650.00]
57
71
85
60
40
99
20
0
100
80
60
40
113
155
268
269
NL: 9.99E2
SI 891, RSI 909,
Wiley9, Entry#
303328, CAS#
629-92-5,
Nonadecane (CAS)
57
71
85
99 113
155
20
0
100
200
268 269
300
400
500
600
m/z
Nonadecane (CAS)
n-Nonadecane
100
80
NL: 9.99E2
A-169770 19.60
1 6.00, 5 8.06E6
+ c Full ms
[50.00-650.00]
57
71
85
60
40
99
20
113
155
268
269
0
57
100
80
NL: 9.99E2
SI 889, RSI 904,
Wiley9, Entry#
303324, CAS#
629-92-5,
Nonadecane (CAS)
71
60
85
40
99
20
113
0
100
155
200
268 269
300
400
500
600
m/z
NONADECANE
AI3-36122
100
NL: 9.99E2
A-169770 19.60
1 6.00, 5 8.06E6
+ c Full ms
[50.00-650.00]
57
71
80
85
60
40
99
20
0
100
113
155
268
269
NL: 9.99E2
SI 877, RSI 889,
Wiley9, Entry#
303323, CAS#
629-92-5,
NONADECANE
57
80
71
60
85
40
20
99 113
155
100
Nonadecane (CAS)
n-Nonadecane
100
268 269
200
300
m/z
400
500
600
NL: 9.99E2
A-169770 19.60
1 6.00, 5 8.06E6
+ c Full ms
[50.00-650.00]
57
71
80
85
60
40
99
20
0
100
113
155
268
269
NL: 9.99E2
SI 873, RSI 895,
Wiley9, Entry#
303326, CAS#
629-92-5,
Nonadecane (CAS)
57
80
71
60
85
40
99
20
113
0
100
Nonadecane
n-Nonadecane
100
155
200
268
300
m/z
400
500
600
NL: 9.99E2
A-169770 19.60
1 6.00, 5 8.06E6
+ c Full ms
[50.00-650.00]
57
71
80
85
60
40
99
20
0
100
80
60
40
20
113
155
268
269
NL: 9.99E2
SI 868, RSI 879,
mainlib, Entry#
22663, CAS#
629-92-5,
Nonadecane
57
43
71
85
99 113
155
0
100
200
268
269
300
m/z
400
500
600

Acquisition Time:
Cal Gas:
Reagent Gas:
Acquire Profile:
Acq Threshold:
Source Temp:
GC Run Time
Off
Off
No
0
220 C
Segment 1
Start Time:
Detector gain:
ChromFilterWidth:
Reagent Gas Flow:
3.00 minutes
300000
Off
Off
Scan Event 1
Scan Rate:
500.00
Mass Defect:
0.00
Polarity:
POS
Use Tune File Emission Current
Scan Mode:
Full Scan
First Mass:
50.0
Last Mass:
650.0
------------------------Oven Method
Initial Temperature (C):
75
Initial Time (min):
2.00
Number of Ramps:
3
Rate #1 (deg/min):
10.0
Final Temperature #1 (C):
150
Hold Time #1 (min):
2.00
Rate #2 (deg/min):
5.0
220
Hold Time #2 (min):
1.00
Rate #3 (deg/min):
10.0
260
Hold Time #3 (min):
10.00
Post Run Temperature:
Off
Enable Cryogenics:
Off
Maximum Temperature (C):
350
Prep Run Timeout (min):
20.00
Equilibration Time (min):
0.50
-----------------------------------------------------------Right SSL Method
Base Temperature:
On
Base Temperature (C):
250
Mode:
Splitless
Split Flow:
On
Split Flow Flow (ml/min):
10
Splitless Time (min):
1.00
Surge Pressure:
Off
Surge Pressure (kPa):
3.00
Surge Duration (min):
0.00
Constant Purge:
On
Stop Purge At: (min):
0.00
Right Carrier Method
Mode:
Constant Flow
Initial Value:
On
Initial Value (ml/min):
1.00
Initial Time:
1.00
Gas Saver:
Off
Gas Saver Flow (ml/min):
50
Gas Saver Time:
5.00
Vacuum Compensation:
On
-----------------------------------------------------------No Left Inlet
------------------------------------------------------------

No Right Detector
-----------------------------------------------------------No Left Detector
-----------------------------------------------------------No Aux Detector
-----------------------------------------------------------Aux Zones
Aux 1 MS Transfer Line:
On
Aux 1 MS Transfer Line (C):
280
Aux 2 :
Off
Aux 2 (C):
30
-----------------------------------------------------------Run Table
External Event #1 Prep-Run Default:
Off
Off
Off
Off
Off
Off
Off
Off
------------------------------------------------------------------------------------
Analysis type
Analysis type:
Single
Mode, Injector, Sync

Injection mode:
Injector port:
Start sync mode:
Basic
Injector A [SSL]
Standard
Sampling parameters
Sample volume (L):
Plunger strokes:
Air volume (L):
Filling volume (L):
1.000
4
1.000
1.000
Vial sampling depth

Bottom Sense:
Vial depth (mm):
No
30.000
Injection depth mode

Pre-injection dwell time (s):
Post-injection dwell time (s):
0.000
0.000
Viscosity
Sample type:
Non viscous
Pre-Injection washes parameters

Solvents wash sequence:
Solvent cycles:
Solvent Volume (L):
A,-,-,1
2.000
Sample washes parameters

Rinses cycles:
Rinses Volume (L):
1
1.000
Post-Injection washes parameters

Solvents wash sequence:
Solvent cycles:
Solvent Volume (L):
A,-,-,3
2.000
Advanced parameters
Wash solvent depth (mm):
45.000

Waste depth (mm):
Needle speed into vial (mm/s):
Solvent filling pull-up speed (L/s):
Bubble elimin. pull-up speed (L/s):
Delay between strokes (s):
-------------------------
10.000
20.000
2.000
5.000
0.100

Kerosene GC N MS

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THE SOUTH INDIA TEXTILE RESEARCH ASSOCIATION

COIMBATORE - 641 014

THERMO GC - TRACE ULTRA VER: 5.0,

DB 35 - MS CAPILLARY STANDARD NON - POLAR COLUMN

30 Mts, ID : 0.25 mm,

FLOW : 1.0 ML/Min

OVEN TEMP 70 C RAISED TO 260 C AT 6 C /MIN

RT: 0.00 - 40.51 SM: 11G

THE SOUTH INDIA TEXTILE RESEARCH ASSOCIATION

A-169 #19 RT: 3.43 AV: 1 RF: 6.00, 5 NL: 3.54E6

Library Search Results

Compound Name Probability

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Lib. Search Graphics Table

2-Thiophenecarboxylic acid, 5-methyl- (CAS)

THE SOUTH INDIA TEXTILE RESEARCH ASSOCIATION

A-169 #45 RT: 4.01 AV: 1 RF: 6.00, 5 NL: 1.56E6

343.0 369.2 395.5

Library Search Results

Compound Name Probability

THE SOUTH INDIA TEXTILE RESEARCH ASSOCIATION

Lib. Search Graphics Table

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A-169 #78 RT: 4.71 AV: 1 RF: 6.00, 5 NL: 1.73E7

222.9 252.9 281.8

Library Search Results

Compound Name Probability

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Lib. Search Graphics Table

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A-169 #95 RT: 5.07 AV: 1 RF: 6.00, 5 NL: 1.79E7

Library Search Results

Compound Name Probability

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Lib. Search Graphics Table

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A-169 #109 RT: 5.36 AV: 1 RF: 6.00, 5 NL: 1.94E6

Library Search Results

Compound Name Probability

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Lib. Search Graphics Table

207 252 341

207 252 341

207 252 341

207 252 341

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A-169 #155 RT: 6.36 AV: 1 RF: 6.00, 5 NL: 4.47E7

Library Search Results

Compound Name Probability

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Lib. Search Graphics Table

THE SOUTH INDIA TEXTILE RESEARCH ASSOCIATION

A-169 #179 RT: 6.89 AV: 1 RF: 6.00, 5 NL: 1.61E7

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Compound Name Probability

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A-169 #199 RT: 7.32 AV: 1 RF: 6.00, 5 NL: 7.38E6

454.5 481.4 509.3 538.9 568.6

Library Search Results

Compound Name Probability

THE SOUTH INDIA TEXTILE RESEARCH ASSOCIATION