of 30
Qualitative Analysis Report 1 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
Analyzed by : AdminAnalyzed : 2/3/2015 8:31:39 AMSample Type : UnknownLevel # : 1Sample Name : Sample ID : IS Amount : [1]=1Sample Amount : 1
Data File : C:\GCMSsolution\Data\Project1\P0T0F2.qgdMethod File : C:\GCMSsolution\Data\Project1\pah3.qgmTuning File : C:\GCMSsolution\System\Tune1\2014\2015\02-02-2015 pah3.qgt
Chromatogram
Dilution Factor : 1Vial # : 2Injection Volume : 1.00Modified by : AdminModified : 2/3/2015 1:38:58 PM
===== Analytical Line 1 =====
[GC-2010]Column Oven Temp. :50.0 CInjection Temp. :210.00 CInjection Mode :SplitFlow Control Mode :Linear VelocityPressure :90.7 kPaTotal Flow :158.4 mL/minColumn Flow :1.54 mL/minLinear Velocity :45.0 cm/secPurge Flow :3.0 mL/minSplit Ratio :100.0High Pressure Injection :OFFCarrier Gas Saver :OFFSplitter Hold :OFFOven Temp. Program Rate Temperature(C) Hold Time(min) - 50.0 1.00 6.00 300.0 20.00
Equilibrium Time :3.0 min
===== Analytical Line 1 =====
[GCMS-QP2010 Plus]IonSourceTemp :230.00 CInterface Temp. :250.00 CSolvent Cut Time :3.00 minDetector Gain Mode :RelativeDetector Gain :+0.00 kVThreshold :1000
[MS Table] --Group 1 - Event 1--Start Time :3.00minEnd Time :60.00minACQ Mode :ScanEvent Time :0.50secScan Speed :1250Start m/z :45.00End m/z :600.00
Sample Inlet Unit :GC
min
25,000,000
10.0 20.0 30.0 40.0 50.0 60.0
TIC
1
2
3
4
5
6
7
89
1011
1213
1415
1617
1819 20
21
22
23
24
25
26
Qualitative Analysis Report 2 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
Chromatogram C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
min
20,000,000
6.0 7.0 8.0 9.0 10.0 11.0 12.0 13.0 14.0 15.0 16.0 17.0 18.0 19.0 20.0
TIC
1
2
3
4
5
6
7
min
20,000,000
20.0 30.0 40.0
TIC
7
89
1011
12
1314
15
1617
18
19 20
21
22
23
24
25
26
min
20,000,000
40.0 50.0 60.0
TIC
Qualitative Analysis Report 3 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
Analyzed by : AdminAnalyzed : 2/3/2015 8:31:39 AMSample Type : UnknownLevel # : 1Sample Name : Sample ID : IS Amount : [1]=1Sample Amount : 1
Dilution Factor : 1Vial # : 2Injection Volume : 1.00Modified by : AdminModified : 2/3/2015 1:38:58 PM
Data File : C:\GCMSsolution\Data\Project1\P0T0F2.qgdMethod File : C:\GCMSsolution\Data\Project1\pah3.qgmTuning File : C:\GCMSsolution\System\Tune1\2014\2015\02-02-2015 pah3.qgt
Peak Table
Peak Report TIC Peak# R.Time Area Area% Name
1 6.946 1814204 0.31 Undecane (CAS) n-Undecane
2 9.233 7001041 1.19 Dodecane
3 11.497 16888953 2.88 Tetradecane (CAS) n-Tetradecane
4 13.673 18945936 3.23 Tetradecane (CAS) n-Tetradecane
5 15.749 18035489 3.08 Pentadecane
6 17.720 21538571 3.67 Hexadecane
7 19.597 40947608 6.98 Heptadecane
8 21.379 40414532 6.89 Eicosane
9 21.477 20123331 3.43 Octadecane (CAS) n-Octadecane
10 21.956 15220351 2.60 Dibenzothiophene, 3-methyl-
11 22.319 11924828 2.03 Dibenzothiophene, 3-methyl-
12 23.082 49003798 8.36 Eicosane
13 23.596 12116954 2.07 2,8-Dimethyldibenzo(b,d)thiophene
14 23.962 28643848 4.88 2,8-Dimethyldibenzo(b,d)thiophene
15 24.294 31221279 5.32 Naphtho[2,3-b]thiophene, 4,9-dimethyl-
16 24.707 46581448 7.94 Eicosane
17 24.862 13830896 2.36 Phenanthrene, 2,5-dimethyl-
18 25.396 8334741 1.42 Benzenamine, 4,4'-methylenebis[2-methyl-
19 26.262 34667674 5.91 Octadecane (CAS) n-Octadecane
20 27.748 36746643 6.27 Octadecane (CAS) n-Octadecane
21 29.178 32951515 5.62 Octadecane (CAS) n-Octadecane
22 30.549 28699978 4.89 Tetracosane
23 31.867 19205150 3.27 Tetracosane
24 33.141 14607615 2.49 Tetracosane
25 34.367 9861376 1.68 Tetracosane (CAS) n-Tetracosane
26 35.553 7091096 1.21 Tetracosane (CAS) n-Tetracosane
586418855 100.00
Qualitative Analysis Report 4 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:1 R.Time: 6.942 min100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
45
55
57
71
85
98 113 127 153156
302
Hit#: 1 Similarity Index: 92 Library:WILEY7.LIB Formula: C11 H24 CAS: 1120-21-4 MolWeight:156CompName: Undecane (CAS) n-Undecane $$ Hendecane $$ n-C11H24 $$ UN 2330 $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
27
41
43
57
71
85
98 113 127156
(CH2)9MeMe
Hit#: 2 Similarity Index: 91 Library:WILEY7.LIB Formula: C11 H24 CAS: 62016-18-6 MolWeight:156CompName: Octane, 5-ethyl-2-methyl- (CAS) 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
27
41
4357
71
85
98 112127
156
CH2CH2CHPrEtMe2CH
Hit#: 3 Similarity Index: 91 Library:NIST147.LIB Formula: C11H24 CAS: 62016-18-6 MolWeight:156CompName: Octane, 5-ethyl-2-methyl- $$ 5-Ethyl-2-methyloctane # $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
27
41
4357
71
85
98 112127
156
Hit#: 4 Similarity Index: 91 Library:WILEY7.LIB Formula: C11 H24 CAS: 1120-21-4 MolWeight:156CompName: Undecane (CAS) n-Undecane $$ Hendecane $$ n-C11H24 $$ UN 2330 $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
29 41
4357
71
85
99 113 127156
(CH2)9MeMe
Analyzed by : AdminAnalyzed : 2/3/2015 8:31:39 AMSample Type : UnknownLevel # : 1Sample Name : Sample ID : IS Amount : [1]=1Sample Amount : 1
Dilution Factor : 1Vial # : 2Injection Volume : 1.00Modified by : AdminModified : 2/3/2015 1:38:58 PM
Data File : C:\GCMSsolution\Data\Project1\P0T0F2.qgdMethod File : C:\GCMSsolution\Data\Project1\pah3.qgmTuning File : C:\GCMSsolution\System\Tune1\2014\2015\02-02-2015 pah3.qgt
Similarity Search Results
Qualitative Analysis Report 5 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:1 R.Time: 6.942 min100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
45
55
57
71
85
98 113 127 153156
302
Hit#: 5 Similarity Index: 91 Library:WILEY7.LIB Formula: C13 H28 CAS: 17301-32-5 MolWeight:184CompName: Undecane, 4,7-dimethyl- (CAS) 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
27
41
43
57
71
85
99 113 127 141 155 184
CH2CHMe(CH2)3MeCH2PrCHMe
Qualitative Analysis Report 6 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:2 R.Time: 9.233 min100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
49
55
5771
85
98 112 127 141 166170
182 197 222 267 356
Hit#: 1 Similarity Index: 95 Library:NIST27.LIB Formula: C12H26 CAS: 112-40-3 MolWeight:170CompName: Dodecane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
27
41
43 57
71
85
98 112 127 141170
Hit#: 2 Similarity Index: 94 Library:WILEY7.LIB Formula: C14 H30 CAS: 629-59-4 MolWeight:198CompName: Tetradecane (CAS) n-Tetradecane $$ Isotetradecane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
39
41
43 57 71
85
99 113 127 141 155 169198
(CH2)12MeMe
Hit#: 3 Similarity Index: 94 Library:WILEY7.LIB Formula: C12 H26 CAS: 112-40-3 MolWeight:170CompName: Dodecane (CAS) n-Dodecane $$ Ba 51-090453 $$ Adakane 12 $$ Isododecane $$ CH3(CH2)10CH3 $$ Bihexyl $$ Dihexyl $$ n-Dodecane min $$ N-Dodecan $$ Duodecane $$ ACETIC ACID 3-HYDROXY-7-ISOPROPENYL-1,4A-DIMETHYL-2,3,4,4A,5,6,7,8-OCTAHYDRO-NAP $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
27
41
4357
71
85
99 113 127 141170
(CH2)10MeMe
Hit#: 4 Similarity Index: 93 Library:WILEY7.LIB Formula: C12 H26 CAS: 112-40-3 MolWeight:170CompName: Dodecane (CAS) n-Dodecane $$ Ba 51-090453 $$ Adakane 12 $$ Isododecane $$ CH3(CH2)10CH3 $$ Bihexyl $$ Dihexyl $$ n-Dodecane min $$ N-Dodecan $$ Duodecane $$ ACETIC ACID 3-HYDROXY-7-ISOPROPENYL-1,4A-DIMETHYL-2,3,4,4A,5,6,7,8-OCTAHYDRO-NAP $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
27
41
43 57
71
85
98 112 127 141170
(CH2)10MeMe
Hit#: 5 Similarity Index: 93 Library:NIST147.LIB Formula: C12H26 CAS: 17312-54-8 MolWeight:170CompName: Decane, 3,7-dimethyl- $$ 3,7-Dimethyldecane # $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
27
41
43 57
71
85
99 113127 141 155 170
Qualitative Analysis Report 7 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:3 R.Time: 11.500 min100
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
45
55
57 71
85
99113 127 141 155 181
184
Hit#: 1 Similarity Index: 93 Library:WILEY7.LIB Formula: C14 H30 CAS: 629-59-4 MolWeight:198CompName: Tetradecane (CAS) n-Tetradecane $$ Isotetradecane $$ 100
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
39
41
43 57 71
85
99 113 127 141 155 169198
(CH2)12MeMe
Hit#: 2 Similarity Index: 93 Library:NIST27.LIB Formula: C13H28 CAS: 629-50-5 MolWeight:184CompName: Tridecane 100
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
27
41
43
57
71
85
99112 127 141 155
184
Hit#: 3 Similarity Index: 92 Library:NIST147.LIB Formula: C13H28 CAS: 6117-97-1 MolWeight:184CompName: Dodecane, 4-methyl- $$ 4-Methyldodecane $$ 100
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
27
41
4357 71
85
99112 126
140155 169 184
Hit#: 4 Similarity Index: 92 Library:NIST27.LIB Formula: C14H30 CAS: 629-59-4 MolWeight:198CompName: Tetradecane 100
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
27
41
43
57
71
85
99113 127 141 155 169
198
Hit#: 5 Similarity Index: 92 Library:WILEY7.LIB Formula: C14 H30 CAS: 629-59-4 MolWeight:198CompName: Tetradecane (CAS) n-Tetradecane $$ Isotetradecane $$ 100
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210
27
41
43
57
71
85
99113 127 141 155 169
198
(CH2)12MeMe
Qualitative Analysis Report 8 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:4 R.Time: 13.675 min100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
45
55
57 71
85
99113 127 140 161 169 190
198219 355
Hit#: 1 Similarity Index: 94 Library:WILEY7.LIB Formula: C14 H30 CAS: 629-59-4 MolWeight:198CompName: Tetradecane (CAS) n-Tetradecane $$ Isotetradecane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
39
41
43 57 71
85
99 113 127 141 155 169198
(CH2)12MeMe
Hit#: 2 Similarity Index: 94 Library:NIST27.LIB Formula: C14H30 CAS: 629-59-4 MolWeight:198CompName: Tetradecane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
27
41
43
57
71
85
99113 127 141 155 169
198
Hit#: 3 Similarity Index: 94 Library:WILEY7.LIB Formula: C14 H30 CAS: 629-59-4 MolWeight:198CompName: Tetradecane (CAS) n-Tetradecane $$ Isotetradecane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
27
41
43
57
71
85
99113 127 141 155 169
198
(CH2)12MeMe
Hit#: 4 Similarity Index: 92 Library:NIST27.LIB Formula: C16H34 CAS: 544-76-3 MolWeight:226CompName: Hexadecane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
27
41
4357
71
85
99113
127 141 155 169 183 197226
Hit#: 5 Similarity Index: 92 Library:NIST27.LIB Formula: C17H36 CAS: 629-78-7 MolWeight:240CompName: Heptadecane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
27
41
43
57
71
85
99113 127 141 155 169 183 197 240
Qualitative Analysis Report 9 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:5 R.Time: 15.750 min100
10 30 50 70 90 110 130 150 170 190 210 230 250 270
45
55
57 71
85
99113 127 141 154 169 183 204
212224 284
Hit#: 1 Similarity Index: 93 Library:NIST27.LIB Formula: C15H32 CAS: 629-62-9 MolWeight:212CompName: Pentadecane 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270
27
41
43
57
7185
99113 126 141 155 169 183
212
Hit#: 2 Similarity Index: 93 Library:WILEY7.LIB Formula: C14 H30 CAS: 629-59-4 MolWeight:198CompName: Tetradecane (CAS) n-Tetradecane $$ Isotetradecane $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270
39
41
43 57 71
85
99 113 127 141 155 169198
(CH2)12MeMe
Hit#: 3 Similarity Index: 93 Library:NIST27.LIB Formula: C16H34 CAS: 544-76-3 MolWeight:226CompName: Hexadecane 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270
27
41
4357
71
85
99113
127 141 155 169 183 197226
Hit#: 4 Similarity Index: 93 Library:NIST27.LIB Formula: C17H36 CAS: 629-78-7 MolWeight:240CompName: Heptadecane 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270
27
41
43
57
71
85
99113 127 141 155 169 183 197 240
Hit#: 5 Similarity Index: 92 Library:NIST27.LIB Formula: C15H32 CAS: 31295-56-4 MolWeight:212CompName: Dodecane, 2,6,11-trimethyl- 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270
1427
41
43
57 71
85
99 113 127141 169 197 212
Qualitative Analysis Report 10 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:6 R.Time: 17.717 min100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
45
55
57 71
85
99113 127 141 155 175 183 196 218
226253 281
Hit#: 1 Similarity Index: 94 Library:NIST27.LIB Formula: C16H34 CAS: 544-76-3 MolWeight:226CompName: Hexadecane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
27
41
4357
71
85
99113
127 141 155 169 183 197226
Hit#: 2 Similarity Index: 93 Library:NIST27.LIB Formula: C20H42 CAS: 112-95-8 MolWeight:282CompName: Eicosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 282
Hit#: 3 Similarity Index: 93 Library:NIST27.LIB Formula: C17H36 CAS: 629-78-7 MolWeight:240CompName: Heptadecane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
27
41
43
57
71
85
99113 127 141 155 169 183 197 240
Hit#: 4 Similarity Index: 92 Library:WILEY7.LIB Formula: C18 H38 CAS: 593-45-3 MolWeight:254CompName: Octadecane (CAS) n-Octadecane $$ Octadecan $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 254
(CH2)16MeMe
Hit#: 5 Similarity Index: 92 Library:NIST27.LIB Formula: C21H44 CAS: 629-94-7 MolWeight:296CompName: Heneicosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 296
Qualitative Analysis Report 11 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:7 R.Time: 19.600 min100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
45
55
57 71
85
99113 127 141 155 169 184
197 211 230240
253 268
Hit#: 1 Similarity Index: 91 Library:NIST27.LIB Formula: C17H36 CAS: 629-78-7 MolWeight:240CompName: Heptadecane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
27
41
43
57
71
85
99113 127 141 155 169 183 197 240
Hit#: 2 Similarity Index: 91 Library:NIST27.LIB Formula: C20H42 CAS: 112-95-8 MolWeight:282CompName: Eicosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 282
Hit#: 3 Similarity Index: 90 Library:WILEY7.LIB Formula: C18 H38 CAS: 593-45-3 MolWeight:254CompName: Octadecane (CAS) n-Octadecane $$ Octadecan $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 254
(CH2)16MeMe
Hit#: 4 Similarity Index: 90 Library:NIST27.LIB Formula: C21H44 CAS: 629-94-7 MolWeight:296CompName: Heneicosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 296
Hit#: 5 Similarity Index: 90 Library:NIST27.LIB Formula: C16H34 CAS: 544-76-3 MolWeight:226CompName: Hexadecane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
27
41
4357
71
85
99113
127 141 155 169 183 197226
Qualitative Analysis Report 12 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:8 R.Time: 21.383 min100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
45
55
57 71
85
99113 127 141 155 175 183 197 218 225 246
254275
Hit#: 1 Similarity Index: 93 Library:NIST27.LIB Formula: C20H42 CAS: 112-95-8 MolWeight:282CompName: Eicosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 282
Hit#: 2 Similarity Index: 92 Library:WILEY7.LIB Formula: C18 H38 CAS: 593-45-3 MolWeight:254CompName: Octadecane (CAS) n-Octadecane $$ Octadecan $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 254
(CH2)16MeMe
Hit#: 3 Similarity Index: 92 Library:NIST27.LIB Formula: C21H44 CAS: 629-94-7 MolWeight:296CompName: Heneicosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 296
Hit#: 4 Similarity Index: 91 Library:WILEY7.LIB Formula: C18 H38 CAS: 593-45-3 MolWeight:254CompName: Octadecane (CAS) n-Octadecane $$ Octadecan $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
40
41
43 57 71 85
99113
127 141 155 169 183 197 211 225254
(CH2)16MeMe
Hit#: 5 Similarity Index: 91 Library:NIST27.LIB Formula: C17H36 CAS: 629-78-7 MolWeight:240CompName: Heptadecane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280
27
41
43
57
71
85
99113 127 141 155 169 183 197 240
Qualitative Analysis Report 13 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:9 R.Time: 21.475 min100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440
50
55
57
71
85
99 113 127
141155
179194
197211 224 244 253 267 282
Hit#: 1 Similarity Index: 79 Library:WILEY7.LIB Formula: C18 H38 CAS: 593-45-3 MolWeight:254CompName: Octadecane (CAS) n-Octadecane $$ Octadecan $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440
40
41
43 57 71 85
99113
127 141 155 169 183 197 211 225254
(CH2)16MeMe
Hit#: 2 Similarity Index: 78 Library:WILEY7.LIB Formula: C54 H110 CAS: 5856-66-6 MolWeight:759CompName: TETRAPENTACOSAN $$ TETRAPENTACONTANE $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440
29 41
43
57 71
85
99113 127
141 155 169 183 197 211 225 239 253 267 281 295 309
Hit#: 3 Similarity Index: 78 Library:NIST27.LIB Formula: C54H110 CAS: 5856-66-6 MolWeight:758CompName: Tetrapentacontane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440
29 41
43
57 71
85
99113 127
141 155 169 183 197 211 225 239 253 267 281 295 309
Hit#: 4 Similarity Index: 78 Library:NIST27.LIB Formula: C20H42 CAS: 112-95-8 MolWeight:282CompName: Eicosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 282
Hit#: 5 Similarity Index: 78 Library:WILEY7.LIB Formula: C32 H66 CAS: 544-85-4 MolWeight:451CompName: Dotriacontane (CAS) n-Dotriacontane $$ Bicetyl $$ Tris(trimethylsilyl)ether, methyl ester of ethyl anthranilate azo pigment(.alpha.z) of bilivubin-1x.alpha. 2-O-acyl glucuronide $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440
2941
43
57
71 85
99113 127 141 155 169 183 197 211 225 239 267 295 450
(CH2)30MeMe
Qualitative Analysis Report 14 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:10 R.Time: 21.958 min100
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570
45 6998
114 139152 165
195
198
212224 246 276 595
Hit#: 1 Similarity Index: 94 Library:NIST147.LIB Formula: C13H10S CAS: 16587-52-3 MolWeight:198CompName: Dibenzothiophene, 3-methyl- $$ 3-Methyldibenzo[b,d]thiophene # $$ 100
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570
14 2728
45 63 76 8699
113 139152 165 195
198
S
Hit#: 2 Similarity Index: 94 Library:NIST147.LIB Formula: C13H10S CAS: 7372-88-5 MolWeight:198CompName: Dibenzothiophene, 4-methyl- $$ 4-Methyldibenzothiophene $$ 4-Methyldibenzo[b,d]thiophene # $$ 100
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570
38 63 76 8699
113 139152 165 195
198
S
Hit#: 3 Similarity Index: 93 Library:WILEY7.LIB Formula: C13 H10 S CAS: 16587-52-3 MolWeight:198CompName: Dibenzothiophene, 3-methyl- (CAS) 3-METHYLDIBENZOTHIOPHENE $$ 100
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570
14 2728
45 63 76 97 139152 165 195
198
S Me
Hit#: 4 Similarity Index: 93 Library:WILEY7.LIB Formula: C13 H10 S CAS: 7372-88-5 MolWeight:198CompName: Dibenzothiophene, 4-methyl- (CAS) 4-Methyldibenzothiophene $$ 100
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570
13
39 63 76 97 113 139152 165 195
198
212
SMe
Hit#: 5 Similarity Index: 93 Library:WILEY7.LIB Formula: C13 H10 S CAS: 30995-64-3 MolWeight:198CompName: Methyldibenzothiophene $$ 100
0 30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480 510 540 570
63 76 8599
115 139152 165 195
198
Qualitative Analysis Report 15 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:11 R.Time: 22.317 min100
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
45 51 6371 85 99
113 127152 165
195
198
211 224 249 260 272 286 294 380
Hit#: 1 Similarity Index: 92 Library:NIST147.LIB Formula: C13H10S CAS: 16587-52-3 MolWeight:198CompName: Dibenzothiophene, 3-methyl- $$ 3-Methyldibenzo[b,d]thiophene # $$ 100
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
14 2728
45 63 76 8699
113 139152 165 195
198
S
Hit#: 2 Similarity Index: 92 Library:NIST147.LIB Formula: C13H10S CAS: 7372-88-5 MolWeight:198CompName: Dibenzothiophene, 4-methyl- $$ 4-Methyldibenzothiophene $$ 4-Methyldibenzo[b,d]thiophene # $$ 100
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
38 45 63 76 8699
113 139152 165 195
198
S
Hit#: 3 Similarity Index: 91 Library:WILEY7.LIB Formula: C13 H10 S CAS: 16587-52-3 MolWeight:198CompName: Dibenzothiophene, 3-methyl- (CAS) 3-METHYLDIBENZOTHIOPHENE $$ 100
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
14 2728
45 63 76 97 139152 165 195
198
S Me
Hit#: 4 Similarity Index: 91 Library:WILEY7.LIB Formula: C13 H10 S CAS: 30995-64-3 MolWeight:198CompName: Methyldibenzothiophene $$ 100
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
63 69 76 8599
115 139152 165 195
198
Hit#: 5 Similarity Index: 91 Library:WILEY7.LIB Formula: C13 H10 S CAS: 7372-88-5 MolWeight:198CompName: Dibenzothiophene, 4-methyl- (CAS) 4-Methyldibenzothiophene $$ 100
0 20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
13
39 45 63 76 97 113 139152 165 195
198
212
SMe
Qualitative Analysis Report 16 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:12 R.Time: 23.083 min100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
45
55
57 71
85
99113 127 141 155 169 192 211 225 239 254
268286
Hit#: 1 Similarity Index: 93 Library:NIST27.LIB Formula: C20H42 CAS: 112-95-8 MolWeight:282CompName: Eicosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 282
Hit#: 2 Similarity Index: 92 Library:NIST27.LIB Formula: C21H44 CAS: 629-94-7 MolWeight:296CompName: Heneicosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 296
Hit#: 3 Similarity Index: 91 Library:WILEY7.LIB Formula: C18 H38 CAS: 593-45-3 MolWeight:254CompName: Octadecane (CAS) n-Octadecane $$ Octadecan $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
40
41
43 57 71 85
99113
127 141 155 169 183 197 211 225254
(CH2)16MeMe
Hit#: 4 Similarity Index: 91 Library:WILEY7.LIB Formula: C22 H46 CAS: 629-97-0 MolWeight:310CompName: Docosane (CAS) n-Docosane $$ C22H46 STANDARD $$ Normal-docosane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
39
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 253 310
(CH2)20MeMe
Hit#: 5 Similarity Index: 91 Library:NIST27.LIB Formula: C24H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320
39
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 253 267 281 338
Qualitative Analysis Report 17 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:13 R.Time: 23.592 min100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
4551 69 7992
105
115 133152 165 178 195
197
212
230 244 260 274 285294
Hit#: 1 Similarity Index: 91 Library:NIST147.LIB Formula: C14H12S CAS: 1207-15-4 MolWeight:212CompName: 2,8-Dimethyldibenzo(b,d)thiophene $$ 2,8-Dimethyldibenzothiophene $$ Dibenzothiophene, 2,8-dimethyl- $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
50 63 7992
105
115 139152 165 178 195
197
212
S
Hit#: 2 Similarity Index: 91 Library:WILEY7.LIB Formula: C14 H12 S CAS: 1207-15-4 MolWeight:212CompName: 2,8-Dimethyldibenzothiophene $$ Dibenzothiophene, 2,8-dimethyl- (CAS) 1,3-Dimethyldibenzothiophene $$ 2,8-Dimethyldibenzo(B,D)thiophene $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
50 63 7992
105
115 139152 165 178 195
197
212
S
MeMe
Hit#: 3 Similarity Index: 90 Library:NIST147.LIB Formula: C14H12S CAS: 16587-34-1 MolWeight:212CompName: Naphtho[2,3-b]thiophene, 4,9-dimethyl- $$ 4,9-Dimethylnaphtho[2,3-b]thiophene # $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
15 3945 63 7692 106
115 139 152165 178
197
212
S
Hit#: 4 Similarity Index: 89 Library:WILEY7.LIB Formula: C14 H12 S CAS: 16587-34-1 MolWeight:212CompName: Naphtho[2,3-b]thiophene, 4,9-dimethyl- (CAS) 4,9-DIMETHYLNAPHTHO(2,3-B)THIOPHENE $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
15 3945 63 7692 106
115 139 152165 178
197
212
SMe
Me
Hit#: 5 Similarity Index: 75 Library:WILEY7.LIB Formula: C14 H12 S CAS: 6672-64-6 MolWeight:212CompName: Dibenzo[c,e]thiepin, 5,7-dihydro- (CAS) 2,7-DIHYDRO-3,4,5,6-DIBENZO-THIEPIN $$ 3,4,5,6-DIPHENYLENE-1-THIA-CYCLOHEPTANE $$ 2,4-DIBENZO-1,6-DIHYDROTHIEPINE $$ Dibenzocyclothiepine $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470
39 51 63 7689
106115 139152
165
179
185
197
212
S
Qualitative Analysis Report 18 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:14 R.Time: 23.958 min100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
45 51 69 7992
105
115 139152 165 178 195
197
212
231 238 254 270 293 308
Hit#: 1 Similarity Index: 92 Library:NIST147.LIB Formula: C14H12S CAS: 1207-15-4 MolWeight:212CompName: 2,8-Dimethyldibenzo(b,d)thiophene $$ 2,8-Dimethyldibenzothiophene $$ Dibenzothiophene, 2,8-dimethyl- $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
50 63 7992
105
115 139152 165 178 195
197
212
S
Hit#: 2 Similarity Index: 92 Library:WILEY7.LIB Formula: C14 H12 S CAS: 1207-15-4 MolWeight:212CompName: 2,8-Dimethyldibenzothiophene $$ Dibenzothiophene, 2,8-dimethyl- (CAS) 1,3-Dimethyldibenzothiophene $$ 2,8-Dimethyldibenzo(B,D)thiophene $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
50 63 7992
105
115 139152 165 178 195
197
212
S
MeMe
Hit#: 3 Similarity Index: 90 Library:NIST147.LIB Formula: C14H12S CAS: 16587-34-1 MolWeight:212CompName: Naphtho[2,3-b]thiophene, 4,9-dimethyl- $$ 4,9-Dimethylnaphtho[2,3-b]thiophene # $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
15 39 45 63 7692 106
115 139 152165 178184
197
212
S
Hit#: 4 Similarity Index: 89 Library:WILEY7.LIB Formula: C14 H12 S CAS: 16587-34-1 MolWeight:212CompName: Naphtho[2,3-b]thiophene, 4,9-dimethyl- (CAS) 4,9-DIMETHYLNAPHTHO(2,3-B)THIOPHENE $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
15 39 45 63 7692 106
115 139 152165 178184
197
212
SMe
Me
Hit#: 5 Similarity Index: 75 Library:WILEY7.LIB Formula: C14 H18 CL2 N2 CAS: 0-00-0 MolWeight:284CompName: O-TOLIDINIUMDICHLORIDE $$ 0-TOLIDINIUMDICHLORID $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290
28
36
51 63 77 97106
115 130 152 167 180 195
212
Qualitative Analysis Report 19 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:15 R.Time: 24.292 min100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
45 51 69 7992 105 119 139
152 165 178 195
197
212
236 246 260 276 294 341
Hit#: 1 Similarity Index: 93 Library:NIST147.LIB Formula: C14H12S CAS: 16587-34-1 MolWeight:212CompName: Naphtho[2,3-b]thiophene, 4,9-dimethyl- $$ 4,9-Dimethylnaphtho[2,3-b]thiophene # $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
15 39 45 63 7692 106
115 139 152165 178
197
212
S
Hit#: 2 Similarity Index: 92 Library:WILEY7.LIB Formula: C14 H12 S CAS: 16587-34-1 MolWeight:212CompName: Naphtho[2,3-b]thiophene, 4,9-dimethyl- (CAS) 4,9-DIMETHYLNAPHTHO(2,3-B)THIOPHENE $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
15 39 45 63 7692 106
115 139 152165 178
197
212
SMe
Me
Hit#: 3 Similarity Index: 90 Library:NIST147.LIB Formula: C14H12S CAS: 1207-15-4 MolWeight:212CompName: 2,8-Dimethyldibenzo(b,d)thiophene $$ 2,8-Dimethyldibenzothiophene $$ Dibenzothiophene, 2,8-dimethyl- $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
50 63 7992
105
115 139152 165 178 195
197
212
S
Hit#: 4 Similarity Index: 90 Library:WILEY7.LIB Formula: C14 H12 S CAS: 1207-15-4 MolWeight:212CompName: 2,8-Dimethyldibenzothiophene $$ Dibenzothiophene, 2,8-dimethyl- (CAS) 1,3-Dimethyldibenzothiophene $$ 2,8-Dimethyldibenzo(B,D)thiophene $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
50 63 7992
105
115 139152 165 178 195
197
212
S
MeMe
Hit#: 5 Similarity Index: 76 Library:WILEY7.LIB Formula: C14 H12 S CAS: 6672-64-6 MolWeight:212CompName: Dibenzo[c,e]thiepin, 5,7-dihydro- (CAS) 2,7-DIHYDRO-3,4,5,6-DIBENZO-THIEPIN $$ 3,4,5,6-DIPHENYLENE-1-THIA-CYCLOHEPTANE $$ 2,4-DIBENZO-1,6-DIHYDROTHIEPINE $$ Dibenzocyclothiepine $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330
39 51 63 7689
106 115 139152
165
179
185
197
212
S
Qualitative Analysis Report 20 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:16 R.Time: 24.708 min100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
45
55
57 7185
99
113 127 141 155 169 183 197 210 225 239 253 277 294 308 322 345
Hit#: 1 Similarity Index: 94 Library:NIST27.LIB Formula: C20H42 CAS: 112-95-8 MolWeight:282CompName: Eicosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 282
Hit#: 2 Similarity Index: 92 Library:WILEY7.LIB Formula: C18 H38 CAS: 593-45-3 MolWeight:254CompName: Octadecane (CAS) n-Octadecane $$ Octadecan $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
40
41
43 57 71 85
99113
127 141 155 169 183 197 211 225254
(CH2)16MeMe
Hit#: 3 Similarity Index: 92 Library:NIST27.LIB Formula: C24H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
39
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 253 267 281 338
Hit#: 4 Similarity Index: 92 Library:NIST27.LIB Formula: C21H44 CAS: 629-94-7 MolWeight:296CompName: Heneicosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 296
Hit#: 5 Similarity Index: 92 Library:WILEY7.LIB Formula: C20 H42 CAS: 112-95-8 MolWeight:282CompName: Eicosane (CAS) n-Eicosane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 253
282
(CH2)18MeMe
Qualitative Analysis Report 21 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:17 R.Time: 24.858 min100
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
50 55 6376
89 101113 139 152
165 175
191
206
212
225 246 253 270 281 298 320
Hit#: 1 Similarity Index: 90 Library:NIST147.LIB Formula: C16H14 CAS: 3674-66-6 MolWeight:206CompName: Phenanthrene, 2,5-dimethyl- $$ 2,5-Dimethyl-phenanthrene $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
39 51 6376
89 101
115 139 152165 178
191
206
Hit#: 2 Similarity Index: 89 Library:NIST147.LIB Formula: C16H14 CAS: 3674-65-5 MolWeight:206CompName: Phenanthrene, 2,3-dimethyl- $$ 2,3-Dimethyl phenanthrene $$ 2,3-Dimethyl-phenanthrene $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
39 51 6376
89 103115 139 152 165 178
191
206
Hit#: 3 Similarity Index: 88 Library:NIST147.LIB Formula: C16H14 CAS: 781-92-0 MolWeight:206CompName: Anthracene, 1,4-dimethyl- $$ 1,4-Dimethylanthracene # $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
39 51 63 7689 103
115 139 152165 178
191
206
Hit#: 4 Similarity Index: 88 Library:WILEY7.LIB Formula: C16 H14 CAS: 781-92-0 MolWeight:206CompName: ANTHRACENE, 1,4-DIMETHYL- $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
39 51 63 7689 103
115 139 152165 178
191
206
Hit#: 5 Similarity Index: 88 Library:WILEY7.LIB Formula: C16 H14 CAS: 0-00-0 MolWeight:206CompName: 1,4-DIMETHYL-ANTHRACENE $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290 310
39 51 63 7689 103
115 139 152165 178
191
206
Qualitative Analysis Report 22 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:18 R.Time: 25.392 min100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
45 51 63 77 92105112
139 152165 178 193 208
211
226
243 263 274 283 294 314 325 384392
Hit#: 1 Similarity Index: 79 Library:NIST147.LIB Formula: C15H18N2 CAS: 838-88-0 MolWeight:226CompName: Benzenamine, 4,4'-methylenebis[2-methyl- $$ o-Toluidine, 4,4'-methylenedi- $$ Aniline, 4,4'-methylenebis(2-methyl- $$ Bis(3-methyl-4-aminophenyl)methane $$ Bis-4-amino-3-methylfenylmethan $$ Me-Mda $$ Methane, bis(4-amino-3-methylphenyl)- $$ 2,2'-Dimethyl-4,4'-methylenedianiline $$ 3,3'-Dimethyl-4,4'-diaminodiphenylmethane $$ 4,4'-Diamino-3,3'-dimethyldiphenylmethane $$ 4,4'-Methylene bis(2-methylaniline) $$ 4,4'-Methylenebis(2-methylbenzenamine) $$ 4,4'-Methylenedi-o-toluidine $$ Bis(4-amino-3-methylpheny 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
28 39 65 77 91105
120
165 180195 209
211
226
H2N NH2
Hit#: 2 Similarity Index: 76 Library:NIST27.LIB Formula: C15H18N2 CAS: 838-88-0 MolWeight:226CompName: Benzenamine, 4,4'-methylenebis[2-methyl- 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
51 6577 91
106
120
130 152 165 180
195 207
211
226
H2N NH2
Hit#: 3 Similarity Index: 75 Library:WILEY7.LIB Formula: C15 H14 S CAS: 15096-10-3 MolWeight:226CompName: Benzene, 1,1'-[(methylthio)ethenylidene]bis- (CAS) ETHENE, 2-METHYLTHIO-1,1-DIPHENYL- $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
27 39
51
6377 89
104 113 126152
165
178
209
211
226
C CHSMe
Hit#: 4 Similarity Index: 75 Library:NIST27.LIB Formula: C15H18N2 CAS: 838-88-0 MolWeight:226CompName: Benzenamine, 4,4'-methylenebis[2-methyl- 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
5865
77 91 105
120
144 165 180195 209
211
226
H2N NH2
Hit#: 5 Similarity Index: 75 Library:NIST147.LIB Formula: C15H14S CAS: 15096-10-3 MolWeight:226CompName: Benzene, 1,1'-[(methylthio)ethenylidene]bis- $$ [2-(Methylsulfanyl)-1-phenylvinyl]benzene # $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
27 39
51
6377 89
104 113 126152
165
178
193 209
211
226
S
Qualitative Analysis Report 23 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:19 R.Time: 26.258 min100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
50
55
57 71 85
99113
127 141 155 169 183 205 220 239 253 267 288 317
Hit#: 1 Similarity Index: 92 Library:WILEY7.LIB Formula: C18 H38 CAS: 593-45-3 MolWeight:254CompName: Octadecane (CAS) n-Octadecane $$ Octadecan $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
40
41
43 57 71 85
99113
127 141 155 169 183 197 211 225254
(CH2)16MeMe
Hit#: 2 Similarity Index: 92 Library:NIST27.LIB Formula: C20H42 CAS: 112-95-8 MolWeight:282CompName: Eicosane 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 282
Hit#: 3 Similarity Index: 91 Library:NIST27.LIB Formula: C24H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
39
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 253 267 281 338
Hit#: 4 Similarity Index: 91 Library:WILEY7.LIB Formula: C32 H66 CAS: 544-85-4 MolWeight:451CompName: Dotriacontane (CAS) n-Dotriacontane $$ Bicetyl $$ Tris(trimethylsilyl)ether, methyl ester of ethyl anthranilate azo pigment(.alpha.z) of bilivubin-1x.alpha. 2-O-acyl glucuronide $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
2941
43
57
71 85
99113 127 141 155 169 183 197 211 225 239 267 295 450
(CH2)30MeMe
Hit#: 5 Similarity Index: 91 Library:NIST27.LIB Formula: C32H66 CAS: 544-85-4 MolWeight:450CompName: Dotriacontane 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
2941
43
57
71 85
99113
127 141 155 169 183 197 211 225 239 267 295 450
Qualitative Analysis Report 24 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:20 R.Time: 27.750 min100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
45
55
57 71 85
99
113127 141 155 169 183 197 211
225 240253 267 281 300 310 325 343
Hit#: 1 Similarity Index: 93 Library:WILEY7.LIB Formula: C18 H38 CAS: 593-45-3 MolWeight:254CompName: Octadecane (CAS) n-Octadecane $$ Octadecan $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
40
41
43 57 71 85
99113
127 141 155 169 183 197 211 225254
(CH2)16MeMe
Hit#: 2 Similarity Index: 92 Library:WILEY7.LIB Formula: C24 H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane (CAS) n-Tetracosane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
29
41
43
57
7185
99113
127 141 155 169 183 197 211 225 239 253 267 281 295338
(CH2)22MeMe
Hit#: 3 Similarity Index: 92 Library:NIST27.LIB Formula: C24H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
29
41
43
57
7185
99113
127 141 155 169 183 197 211 225 239 253 267 281 295338
Hit#: 4 Similarity Index: 92 Library:NIST147.LIB Formula: C36H74 CAS: 630-06-8 MolWeight:506CompName: Hexatriacontane $$ n-Hexatriacontane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 253 267 281 295 309
Hit#: 5 Similarity Index: 92 Library:NIST147.LIB Formula: C34H70 CAS: 14167-59-0 MolWeight:478CompName: Tetratriacontane $$ n-Tetratriacontane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340
2941
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 253 267 281 295
Qualitative Analysis Report 25 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:21 R.Time: 29.175 min100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440
45
55
57 71 85
99
113127 141 155 169 183 197 211 236 253 267 281 295 308 324 349 413
Hit#: 1 Similarity Index: 92 Library:WILEY7.LIB Formula: C18 H38 CAS: 593-45-3 MolWeight:254CompName: Octadecane (CAS) n-Octadecane $$ Octadecan $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440
40
41
43 57 71 85
99113
127 141 155 169 183 197 211 225254
(CH2)16MeMe
Hit#: 2 Similarity Index: 92 Library:NIST27.LIB Formula: C24H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440
29
41
43
57
7185
99113
127 141 155 169 183 197 211 225 239 253 267 281 295338
Hit#: 3 Similarity Index: 92 Library:WILEY7.LIB Formula: C24 H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane (CAS) n-Tetracosane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440
29
41
43
57
7185
99113
127 141 155 169 183 197 211 225 239 253 267 281 295338
(CH2)22MeMe
Hit#: 4 Similarity Index: 92 Library:NIST147.LIB Formula: C36H74 CAS: 630-06-8 MolWeight:506CompName: Hexatriacontane $$ n-Hexatriacontane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 253 267 281 295 309
Hit#: 5 Similarity Index: 91 Library:WILEY7.LIB Formula: C32 H66 CAS: 544-85-4 MolWeight:451CompName: Dotriacontane (CAS) n-Dotriacontane $$ Bicetyl $$ Tris(trimethylsilyl)ether, methyl ester of ethyl anthranilate azo pigment(.alpha.z) of bilivubin-1x.alpha. 2-O-acyl glucuronide $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440
2941
43
57
71 85
99113 127 141 155 169 183 197 211 225 239 267 295 450
(CH2)30MeMe
Qualitative Analysis Report 26 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:22 R.Time: 30.550 min100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
45
55
57 71 85
99
113127 141 155 169 183 197 211 231 239 253 267 281 295 316 328 338 363 374 386
Hit#: 1 Similarity Index: 93 Library:NIST27.LIB Formula: C24H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
29
41
43
57
7185
99113
127 141 155 169 183 197 211 225 239 253 267 281 295338
Hit#: 2 Similarity Index: 93 Library:WILEY7.LIB Formula: C24 H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane (CAS) n-Tetracosane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
29
41
43
57
7185
99113
127 141 155 169 183 197 211 225 239 253 267 281 295338
(CH2)22MeMe
Hit#: 3 Similarity Index: 92 Library:WILEY7.LIB Formula: C18 H38 CAS: 593-45-3 MolWeight:254CompName: Octadecane (CAS) n-Octadecane $$ Octadecan $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
40
41
43 57 71 85
99113
127 141 155 169 183 197 211 225254
(CH2)16MeMe
Hit#: 4 Similarity Index: 92 Library:NIST147.LIB Formula: C36H74 CAS: 630-06-8 MolWeight:506CompName: Hexatriacontane $$ n-Hexatriacontane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 253 267 281 295 309
Hit#: 5 Similarity Index: 90 Library:NIST147.LIB Formula: C34H70 CAS: 14167-59-0 MolWeight:478CompName: Tetratriacontane $$ n-Tetratriacontane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380
2941
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 253 267 281 295
Qualitative Analysis Report 27 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:23 R.Time: 31.867 min100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400
45
55
57 71 85
99
113127 141 155 169 183 197 211 225
248
253 267 281 295 309 323 345 366 383 406
Hit#: 1 Similarity Index: 92 Library:NIST27.LIB Formula: C24H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400
29
41
43
57
7185
99113
127 141 155 169 183 197 211 225 239 253 267 281 295338
Hit#: 2 Similarity Index: 92 Library:WILEY7.LIB Formula: C24 H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane (CAS) n-Tetracosane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400
29
41
43
57
7185
99113
127 141 155 169 183 197 211 225 239 253 267 281 295338
(CH2)22MeMe
Hit#: 3 Similarity Index: 91 Library:WILEY7.LIB Formula: C18 H38 CAS: 593-45-3 MolWeight:254CompName: Octadecane (CAS) n-Octadecane $$ Octadecan $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400
40
41
43 57 71 85
99113
127 141 155 169 183 197 211 225254
(CH2)16MeMe
Hit#: 4 Similarity Index: 91 Library:NIST147.LIB Formula: C36H74 CAS: 630-06-8 MolWeight:506CompName: Hexatriacontane $$ n-Hexatriacontane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 253 267 281 295 309
Hit#: 5 Similarity Index: 91 Library:WILEY7.LIB Formula: C54 H110 CAS: 5856-66-6 MolWeight:759CompName: TETRAPENTACOSAN $$ TETRAPENTACONTANE $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400
29 41
43
57 71
85
99113 127
141 155 169 183 197 211 225 239 253 267 281 295 309
Qualitative Analysis Report 28 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:24 R.Time: 33.142 min100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400
45
55
57 71 85
99
113127 141
155 169 183 197 211 225 239
262
267 281 295 309 323 344 355 366 381 398
Hit#: 1 Similarity Index: 91 Library:NIST27.LIB Formula: C24H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400
29
41
43
57
7185
99113
127 141 155 169 183 197 211 225 239 253 267 281 295338
Hit#: 2 Similarity Index: 91 Library:WILEY7.LIB Formula: C24 H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane (CAS) n-Tetracosane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400
29
41
43
57
7185
99113
127 141 155 169 183 197 211 225 239 253 267 281 295338
(CH2)22MeMe
Hit#: 3 Similarity Index: 91 Library:WILEY7.LIB Formula: C54 H110 CAS: 5856-66-6 MolWeight:759CompName: TETRAPENTACOSAN $$ TETRAPENTACONTANE $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400
29 41
43
57 71
85
99113 127
141 155 169 183 197 211 225 239 253 267 281 295 309
Hit#: 4 Similarity Index: 91 Library:NIST27.LIB Formula: C54H110 CAS: 5856-66-6 MolWeight:758CompName: Tetrapentacontane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400
29 41
43
57 71
85
99113 127
141 155 169 183 197 211 225 239 253 267 281 295 309
Hit#: 5 Similarity Index: 91 Library:NIST147.LIB Formula: C36H74 CAS: 630-06-8 MolWeight:506CompName: Hexatriacontane $$ n-Hexatriacontane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 253 267 281 295 309
Qualitative Analysis Report 29 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:25 R.Time: 34.367 min100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
45
55
57 71 85
99
113127 141 155 169 183 197 211 225 239 253 267 281 295 309 323 337 350 372380 399 408 424
Hit#: 1 Similarity Index: 92 Library:WILEY7.LIB Formula: C24 H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane (CAS) n-Tetracosane $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
41
43
57
7185
99113
127 141 155 169 183 197 211 225 239 253 267 281 295338
(CH2)22MeMe
Hit#: 2 Similarity Index: 92 Library:NIST27.LIB Formula: C24H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
41
43
57
7185
99113
127 141 155 169 183 197 211 225 239 253 267 281 295338
Hit#: 3 Similarity Index: 92 Library:NIST27.LIB Formula: C54H110 CAS: 5856-66-6 MolWeight:758CompName: Tetrapentacontane 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
41
43
57 71
85
99113 127
141 155 169 183 197 211 225 239 253 267 281 295 309
Hit#: 4 Similarity Index: 92 Library:WILEY7.LIB Formula: C54 H110 CAS: 5856-66-6 MolWeight:759CompName: TETRAPENTACOSAN $$ TETRAPENTACONTANE $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
41
43
57 71
85
99113 127
141 155 169 183 197 211 225 239 253 267 281 295 309
Hit#: 5 Similarity Index: 92 Library:WILEY7.LIB Formula: C18 H38 CAS: 593-45-3 MolWeight:254CompName: Octadecane (CAS) n-Octadecane $$ Octadecan $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420
41
43 57 71 85
99113
127 141 155 169 183 197 211 225254
(CH2)16MeMe
Qualitative Analysis Report 30 / 30
C:\GCMSsolution\Data\Project1\2015\F2\P0T0F2.qgd
>Peak No.:26 R.Time: 35.550 min100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
49
55
57 71 85
99
113127 141 155 169 183 197 211 225 239 253 267 290 309 323 337 351 365 385 417 434 452
Hit#: 1 Similarity Index: 92 Library:WILEY7.LIB Formula: C24 H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane (CAS) n-Tetracosane $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
29
41
43
57
7185
99113
127 141 155 169 183 197 211 225 239 253 267 281 295338
(CH2)22MeMe
Hit#: 2 Similarity Index: 92 Library:NIST27.LIB Formula: C24H50 CAS: 646-31-1 MolWeight:338CompName: Tetracosane 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
29
41
43
57
7185
99113
127 141 155 169 183 197 211 225 239 253 267 281 295338
Hit#: 3 Similarity Index: 91 Library:WILEY7.LIB Formula: C18 H38 CAS: 593-45-3 MolWeight:254CompName: Octadecane (CAS) n-Octadecane $$ Octadecan $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
40
41
43 57 71 85
99113
127 141 155 169 183 197 211 225254
(CH2)16MeMe
Hit#: 4 Similarity Index: 91 Library:NIST147.LIB Formula: C36H74 CAS: 630-06-8 MolWeight:506CompName: Hexatriacontane $$ n-Hexatriacontane $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
27
41
43
57
71
85
99113 127 141 155 169 183 197 211 225 239 253 267 281 295 309
Hit#: 5 Similarity Index: 91 Library:NIST27.LIB Formula: C54H110 CAS: 5856-66-6 MolWeight:758CompName: Tetrapentacontane 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470 500
29 41
43
57 71
85
99113 127
141 155 169 183 197 211 225 239 253 267 281 295 309
