Data GC - MS

7RE
020415
, 30-APR-2015 + 15:06:15
7re1
Scan EI+
TIC
7.69e8
11.24
100
%
12.72 13.88
5.70 6.63
2.89
7.25 8.46 9.35 9.92
4.07 5.15
15.02
17.45
18.21
0
2.80
4.80
6.80
8.80
10.80
12.80
14.80
16.80
18.80
20.80
22.80
24.80
26.80
28.80
Time
30.80
Min 2.89
95
59
100
55
50
67
58
82
51
53
57
60
69
77 79
65
50
55
60
65
70
( m a in lib ) C y c lo h e x a n e m e th a n o l, - e th y l-
75
81 83
80
91 93
85
Name: Cyclohexanemethanol, -ethylFormula: C9H18O

MW: 142 CAS#: 17264-02-7 NIST#: 114864 ID#: 52941 DB: mainlib
Other DBs: TSCA, NIH, EINECS, IRDB
Contributor: NIST Mass Spectrometry Data Center, 1990.
10 largest peaks:
95 999 | 59 965 | 67 455 | 55 443 | 113 402 |
41 381 | 58 370 | 82 267 | 39 184 | 29 158 |
Synonyms:
1.Ethylcyclohexylcarbinol
2.1-Cyclohexyl-1-propanol
3.1-Cyclohexylpropanol
Min 5.70
90
OH
96
95
109
100
105
110
112
100
O
55
69
O
50
83
50
53
66
93
50
60
70
80
( r e p lib ) 1 ,2 - C y c lo p e n t a n e d io n e , 3 - m e t h y l-
97
90
100
110
120
130
Name: 1,2-Cyclopentanedione, 3-methylFormula: C6H8O2

MW: 112 CAS#: 765-70-8 NIST#: 108154 ID#: 15073 DB: replib
Other DBs: Fine, TSCA, HODOC, EINECS
Contributor: Chuck Anderson, Aldrich Chemical Co.
10 largest peaks:
112 999 | 41 861 | 55 686 | 69 680 | 43 554 |
39 469 | 56 385 | 27 374 | 83 301 | 42 299 |
Synonyms:
1.3-Methyl-1,2-cyclopentanedione
2.3-Methylcyclopentane-1,2-dione
Min 6.63
109
100
124
81
50
HO
53
55
0
63
69
50
60
70
( re p lib ) P h e n o l, 2 - m e t h o x y -
73
77
91
80
90
95
105
100
Name: Phenol, 2-methoxyFormula: C7H8O2

Other DBs: Fine, TSCA, RTECS, EPA, HODOC, NIH, EINECS, IRDB
10 largest peaks:
109 999 | 124 795 | 81 682 | 53 220 | 52 124 |
51 109 | 39 89 | 50 76 | 63 70 | 110 69 |
Synonyms:
1.Phenol, o-methoxy2.o-Guaiacol
3.o-Hydroxyanisole
4.o-Methoxyphenol
5.Anastil
6.Guaiacol
7.Guaiastil
8.Guaicolina
9.Guajol
121
110
120
130
140
10.Guasol
11.O-Methyl catechol
12.Pyrocatechol monomethyl ether
13.Pyroguaiac acid
14.1-Hydroxy-2-methoxybenzene
15.2-Hydroxyanisole
16.2-Methoxyphenol
17.Guaicol
18.Guajakol
19.Methylcatechol
20.Methylcatachol
Min 9.35
110
100
55
OH
67
57
50
82
85
60
74 79
99
128
87
50
60
70
80
90
100
110
( m a in lib ) C y c lo h e x a n o n e , 2 - ( h y d ro x y m e th y l) -
120
130
140
150
160
170
180
190
180
190
Name: Cyclohexanone, 2-(hydroxymethyl)Formula: C7H12O2

Other DBs: HODOC, NIH
10 largest peaks:
110 999 | 55 827 | 67 685 | 68 672 | 41 667 |
57 652 | 69 510 | 42 440 | 82 427 | 81 355 |
Synonyms:
1.2-(Hydroxymethyl)cyclohexanone
Min 9.92
140
100
SH
125
50
97
53
63
57
69
77
84
110
92
50
60
70
80
90
( re p lib ) m e t a - M e t h o x y b e n z e n e t h io l
100
110
O
120
130
140
Name: meta-Methoxybenzenethiol
Formula: C7H8OS
Other DBs: Fine, HODOC, EINECS
Contributor: NIST Mass Spectrometry Data Center, 1994
10 largest peaks:
140 999 | 125 464 | 97 378 | 15 352 | 96 206 |
150
160
170
69 202 | 45 186 | 53 170 |

Synonyms:
1.3-Methoxythiophenol
2.m-Methoxythiophenol
3.m-Methoxy phenyl mercaptan
4.Benzenethiol, 3-methoxy5.3-Methoxybenzenethiol
63 147 |
95 144 |
Min 11.24
154
100
OH
139
93
50
79
55
0
111
65
51
57
107
63
50
60
70
80
( r e p l i b ) P h e n o l , 2 ,6 - d i m e t h o x y Name: Phenol, 2,6-dimethoxy-
90
100
110
125
120
130
Formula: C8H10O3
Other DBs: Fine, TSCA, RTECS, HODOC, EINECS, IRDB
Contributor: RADIAN CORP
10 largest peaks:
154 999 | 139 626 | 93 532 | 96 529 | 39 465 |
111 435 | 15 399 | 65 365 | 51 296 | 53 291 |
Synonyms:
1.Pyrogallol 1,3-dimethyl ether
2.Syringol
3.1,3-Dimethoxy-2-hydroxybenzene
4.2-Hydroxy-1,3-dimethoxybenzene
5.2,6-Dimethoxyphenol
6.2,6-Dimethoxyphenyl
7.1,3-Dimethyl pyrogallate
8.2,6-Dwumetoksyfenol
9.Pyrogallol dimethylether
10.Dimethoxyphenol
11.2,6-Dimethoxy phenol
Min 12.72
140
150
160
170
180
190
168
100
O
50
125
HO
65
55
63 67
77
82
110
93
87
97
139
121
153
129
50
60
70
80
90
100
110
120
130
140
( re p lib ) P h e n o l, 4 - m e th o x y - 3 - ( m e th o x y m e th y l) Name: Phenol, 4-methoxy-3-(methoxymethyl)Formula: C9H12O3
Other DBs: None
Contributor: Chemical Concepts
10 largest peaks:
168 999 | 125 462 | 65 233 | 139 226 | 153 212 |
135 196 | 110 166 | 77 150 | 93 149 | 137 127 |
Synonyms:
1.4-Methoxy-3-(methoxymethyl)phenol #
150
160
170
180
190
Min 13.88
167
100
OH
HO
OH
50
182
51
60 65 69
77
91 96
103 109 115
121 127
133
139
50
60
70
80
90
100
110
120
130
140
( m a in lib ) 5 - t e r t - B u t y lp y ro g a llo l
Name: 5-tert-Butylpyrogallol
Formula: C10H14O3
Other DBs: None
Contributor: Japan AIST/NIMC Database- Spectrum MS-NW-2008
10 largest peaks:
167 999 | 182 374 | 139 110 | 168 99 | 121 67 |
41 64 | 39 43 | 127 42 | 183 40 | 149 35 |
Synonyms:
1.5-tert-Butyl-1,2,3-benzenetriol #
Min 17.45
149
150
160
170
180
190
167
100
O
OH
212
50
HO
O
53
0
66
78
85
95
123
106
137
151
179
50
60
70
80
90
100 110 120 130 140 150 160 170
( m a i n l i b ) 3 ,5 - D i m e t h o x y - 4 - h y d r o x y p h e n y l a c e t i c a c i d
Name: 3,5-Dimethoxy-4-hydroxyphenylacetic acid
Formula: C10H12O5
Other DBs: Fine, EINECS
10 largest peaks:
167 999 | 212 542 | 168 112 | 123 77 | 213 60 |
53 59 | 39 42 | 106 41 | 122 40 | 78 30 |
Synonyms:
1.Homosyringic acid
2.Benzeneacetic acid, 4-hydroxy-3,5-dimethoxy3.(4-Hydroxy-3,5-dimethoxyphenyl)acetic acid #
196
180
190
200
210
220
230
8RE
020415
, 30-APR-2015 + 15:51:04
8re1
Scan EI+
TIC
5.11e8
11.21
100
%
5.66 6.62
2.89
12.70
7.22
8.45
4.07
13.86
9.90
15.01
16.12
17.42
18.21
0
2.80
4.80
6.80
8.80
10.80
12.80
14.80
16.80
18.80
20.80
22.80
24.80
26.80
28.80
Time
30.80
Min 2.89
100
O
50
OH
59
58
56
83
60
50
55
60
65
70
( re p lib ) 2 - P e n ta n o n e , 4 - h y d ro x y - 4 - m e th y l-
Name: 2-Pentanone, 4-hydroxy-4-methyl-
75
80
93
85
90
98
95
101
100
105
110
Formula: C6H12O2
Contributor: TNO Volatile Compounds in Food - Chemical Concepts
10 largest peaks:
43 999 | 59 403 | 58 233 | 101 78 | 31 69 |
41 53 | 42 40 | 27 36 | 29 34 | 39 30 |
Synonyms:
1.Acetonyldimethylcarbinol
2.Diacetone alcohol
3.Diketone alcohol
4.Tyranton
5.4-Hydroxy-4-methylpentan-2-one
6.4-Hydroxy-4-methylpentanone
7.(CH3)2C(OH)CH2C(O)CH3
8.4-Hydroxy-4-methyl-2-pentanone
9.2-Methyl-2-pentanol-4-one
10.4-Methyl-2-pentanon-4-ol
11.Pyranton a
12.Diacetonalcohol
13.Diacetonalcool
14.Diacetonalkohol
15.Diacetone-alcool
16.4-Hydroxy-2-keto-4-methylpentane
17.4-Hydroxy-4-methyl-pentan-2-on
18.4-Idrossi-4-metil-pentan-2-one
19.Diacetone
20.4-Hydroxy-4-methylpentanone-2
21.Pyranton
22.UN 1148
23.2-Hydroxy-2-methyl-4-pentanone
24.2-Methyl-3-pentanol-4-one
25.4-Methyl-4-hydroxy-2-pentanone
26.Hydroxy-4-methyl-2-pentanone
27.Pyraton
Min 5.66
112
100
O
55
69
O
50
83
50
0
53
66
93
97
50
60
70
80
90
100
( r e p l i b ) 1 ,2 - C y c l o p e n t a n e d i o n e , 3 - m e t h y l Name: 1,2-Cyclopentanedione, 3-methylFormula: C6H8O2
Other DBs: Fine, TSCA, HODOC, EINECS
10 largest peaks:
110
120
130
112 999 | 41 861 | 55 686 | 69 680 |

39 469 | 56 385 | 27 374 | 83 301 |
Synonyms:
1.3-Methyl-1,2-cyclopentanedione
2.3-Methylcyclopentane-1,2-dione
43 554 |
42 299 |
Min 6.62
109
100
124
81
50
HO
53
55
0
63
69
73
77
91
95
50
60
70
80
90
100
( re p lib ) P h e n o l, 2 - m e th o x y Name: Phenol, 2-methoxyFormula: C7H8O2
10 largest peaks:
109 999 | 124 795 | 81 682 | 53 220 | 52 124 |
51 109 | 39 89 | 50 76 | 63 70 | 110 69 |
Synonyms:
1.Phenol, o-methoxy2.o-Guaiacol
3.o-Hydroxyanisole
4.o-Methoxyphenol
5.Anastil
6.Guaiacol
7.Guaiastil
8.Guaicolina
9.Guajol
10.Guasol
11.O-Methyl catechol
12.Pyrocatechol monomethyl ether
13.Pyroguaiac acid
14.1-Hydroxy-2-methoxybenzene
15.2-Hydroxyanisole
16.2-Methoxyphenol
17.Guaicol
18.Guajakol
19.Methylcatechol
20.Methylcatachol
Min 9.39
105
121
110
120
130
140
020415
, 30-APR-2015 + 15:51:04
8re1
Scan EI+
TIC
8.84e7
9.90
100
8.45
9.17
9.39
10.28 10.40
8.89
0
7.99
8.19
8.39
8.59
8.79
8.99
9.19
9.39
9.59
9.79
9.99
10.19
Time
10.39
100
55
50
53
67
71
51
95
81 85
79
83
91
97
110
HO
126
102
50
60
70
80
90
100
110
120
130
140
( m a in lib ) tra n s - 2 - E th y l- 2 - h e x e n - 1 - o l
Name: trans-2-Ethyl-2-hexen-1-ol
Formula: C8H16O
MW: 128 CAS#: N/A NIST#: 139523 ID#: 1775 DB: mainlib
Other DBs: None
Contributor: B. Derendyaev, Novosibirsk Institute of Organic Chemistry
10 largest peaks:
41 999 | 27 979 | 29 949 | 39 740 | 57 713 |
55 709 | 43 484 | 95 322 | 67 318 | 81 285 |
Synonyms:
no synonyms.
150
160
170
180
190
Min 9.90
140
100
125
OH
97
O
OH
50
51
53
0
79
68
81
107
50
60
70
80
90
100
110
120
130
140
( m a i n l i b ) 1 ,2 - B e n z e n e d i o l , 3 - m e t h o x y Name: 1,2-Benzenediol, 3-methoxyFormula: C7H8O3
Other DBs: Fine, RTECS, HODOC, NIH, EINECS, IRDB
150
160
170
180
190

10 largest peaks:
140 999 | 125 898 | 97 699 | 51 317 | 39 187 |
79 186 | 53 123 | 107 107 | 68 90 | 50 87 |
Synonyms:
1.Pyrocatechol, 3-methoxy2.Pyrogallol 1-methyl ether
3.Pyrogallol 1-monomethyl ether
4.1,2-Dihydroxy-3-methoxybenzene
5.2,3-Dihydroxyanisole
6.3-Methoxy-1,2-benzenediol
7.3-Methoxycatechol
8.3-Methoxypyrocatechol
9.Pyrogallol monomethyl ether
Min 11.21
154
100
OH
139
93
50
79
55
0
111
65
51
57
107
63
50
60
70
80
( r e p lib ) P h e n o l, 2 ,6 - d im e t h o x y -
90
100
110
125
120
130
Name: Phenol, 2,6-dimethoxyFormula: C8H10O3

Other DBs: Fine, TSCA, RTECS, HODOC, EINECS, IRDB
Contributor: RADIAN CORP
10 largest peaks:
154 999 | 139 626 | 93 532 | 96 529 | 39 465 |
111 435 | 15 399 | 65 365 | 51 296 | 53 291 |
Synonyms:
1.Pyrogallol 1,3-dimethyl ether
2.Syringol
3.1,3-Dimethoxy-2-hydroxybenzene
4.2-Hydroxy-1,3-dimethoxybenzene
5.2,6-Dimethoxyphenol
6.2,6-Dimethoxyphenyl
7.1,3-Dimethyl pyrogallate
8.2,6-Dwumetoksyfenol
9.Pyrogallol dimethylether
10.Dimethoxyphenol
11.2,6-Dimethoxy phenol
Min 12.70
140
150
160
170
180
190
168
100
O
50
125
HO
65
55
63 67
77
82
110
93
97
87
50
60
70
80
90
100
110
( re p lib ) P h e n o l, 4 - m e t h o x y - 3 - ( m e t h o x y m e th y l) -
139
121
120
153
129
130
140
150
160
170
180
190
Name: Phenol, 4-methoxy-3-(methoxymethyl)Formula: C9H12O3

Other DBs: None
Contributor: Chemical Concepts
10 largest peaks:
168 999 | 125 462 | 65 233 | 139 226 | 153 212 |
135 196 | 110 166 | 77 150 | 93 149 | 137 127 |
Synonyms:
1.4-Methoxy-3-(methoxymethyl)phenol #
Min 13.86
182
100
167
50
O
O
53
0
51 56
65
79
69
107
139
124
91 96
50
60
70
80
90
100
( r e p lib ) B e n z e n e , 1 ,2 ,3 - t r im e t h o x y - 5 - m e t h y l-
152
110
120
130
Name: Benzene, 1,2,3-trimethoxy-5-methylFormula: C10H14O3

10 largest peaks:
182 999 | 167 896 | 139 339 | 107 271 | 109 257 |
124 239 | 53 207 | 39 132 | 79 120 | 65 114 |
Synonyms:
1.Toluene, 3,4,5-trimethoxy2.1,2,3-Trimethoxy-5-methylbenzene
3.3,4,5-Trimethoxytoluene
Min 17.42
140
150
160
170
180
190
167
100
O
OH
212
50
HO
O
53
0
66
78
85
95
106
123
137
151
50
60
70
80
90
100 110 120 130 140 150 160 170
( m a i n l i b ) 3 ,5 - D i m e t h o x y - 4 - h y d r o x y p h e n y l a c e t i c a c i d
Name: 3,5-Dimethoxy-4-hydroxyphenylacetic acid
Formula: C10H12O5
10 largest peaks:
167 999 | 212 542 | 168 112 | 123 77 | 213 60 |
53 59 | 39 42 | 106 41 | 122 40 | 78 30 |
Synonyms:
1.Homosyringic acid
2.Benzeneacetic acid, 4-hydroxy-3,5-dimethoxy3.(4-Hydroxy-3,5-dimethoxyphenyl)acetic acid #
179
180
196
190
200
210
220
230

Data GC - MS

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Data GC - MS

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Verfügbare Formate

7RE

Name: Cyclohexanemethanol, -ethylFormula: C9H18O

Name: 1,2-Cyclopentanedione, 3-methylFormula: C6H8O2

Name: Phenol, 2-methoxyFormula: C7H8O2

Name: Cyclohexanone, 2-(hydroxymethyl)Formula: C7H12O2

69 202 | 45 186 | 53 170 |

103 109 115

Name: 2-Pentanone, 4-hydroxy-4-methyl-

112 999 | 41 861 | 55 686 | 69 680 |

Contributor: NIST Mass Spectrometry Data Center, 1990.

Name: Phenol, 2,6-dimethoxyFormula: C8H10O3

Name: Phenol, 4-methoxy-3-(methoxymethyl)Formula: C9H12O3

Name: Benzene, 1,2,3-trimethoxy-5-methylFormula: C10H14O3

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