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C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
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Library<< Target >>Line#:1 R.Time:5.983(Scan#:575) MassPeaks:20 RawMode:Single 5.983(575) BasePeak:43.00(121751)BG Mode:Peak Start 5.933(569)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
4367
82
Hit#:1 Entry:31530 Library:WILEY7.LIBSI:97 Formula:C8 H14 O2 CAS:3681-71-8 MolWeight:142 RetIndex:0CompName:3-Hexen-1-ol, acetate, (Z)- (CAS) cis-3-Hexenyl acetate $$ cis-3-Hexenyl-1-acetate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
67
82
97 112
CH2CH CHEtCH2OAc
Hit#:2 Entry:31535 Library:WILEY7.LIBSI:97 Formula:C8 H14 O2 CAS:3681-71-8 MolWeight:142 RetIndex:0CompName:3-Hexen-1-ol, acetate, (Z)- (CAS) cis-3-Hexenyl acetate $$ cis-3-Hexenyl-1-acetate $$ Z-3-hexenyl acetate $$ Acetic acid cis-3-hexenyl ester $$ (Z)-3-Hexenyl acetate $$ cis-3-Hexenyl ethanoate $$ (Z)-3-Hexen-1-ol acetate $$ cis-3-Hexenol acetate $100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
67
82
97
CH2CH CHEtCH2OAc
Hit#:3 Entry:31539 Library:WILEY7.LIBSI:94 Formula:C8 H14 O2 CAS:3681-71-8 MolWeight:142 RetIndex:0CompName:3-Hexen-1-ol, acetate, (Z)- (CAS) cis-3-Hexenyl acetate $$ cis-3-Hexenyl-1-acetate $$ Z-3-hexenyl acetate $$ Acetic acid cis-3-hexenyl ester $$ (Z)-3-Hexenyl acetate $$ cis-3-Hexenyl ethanoate $$ (Z)-3-Hexen-1-ol acetate $$ cis-3-Hexenol acetate $100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
67
82CH2CH CHEtCH2OAc
Hit#:4 Entry:31533 Library:WILEY7.LIBSI:93 Formula:C8 H14 O2 CAS:3681-71-8 MolWeight:142 RetIndex:0CompName:3-Hexen-1-ol, acetate, (Z)- (CAS) cis-3-Hexenyl acetate $$ cis-3-Hexenyl-1-acetate $$ Z-3-hexenyl acetate $$ Acetic acid cis-3-hexenyl ester $$ (Z)-3-Hexenyl acetate $$ cis-3-Hexenyl ethanoate $$ (Z)-3-Hexen-1-ol acetate $$ cis-3-Hexenol acetate $100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43 67
82
84 98 112
CH2CH CHEtCH2OAc
Hit#:5 Entry:31531 Library:WILEY7.LIBSI:92 Formula:C8 H14 O2 CAS:3681-71-8 MolWeight:142 RetIndex:0CompName:3-Hexen-1-ol, acetate, (Z)- (CAS) cis-3-Hexenyl acetate $$ cis-3-Hexenyl-1-acetate $$ Z-3-hexenyl acetate $$ Acetic acid cis-3-hexenyl ester $$ (Z)-3-Hexenyl acetate $$ cis-3-Hexenyl ethanoate $$ (Z)-3-Hexen-1-ol acetate $$ cis-3-Hexenol acetate $100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
67
8297 112
CH2CH CHEtCH2OAc
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<< Target >>Line#:2 R.Time:7.025(Scan#:700) MassPeaks:21 RawMode:Single 7.025(700) BasePeak:45.05(936247)BG Mode:Peak Start 6.500(637)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
45
59
71
89
101
Hit#:1 Entry:24128 Library:WILEY7.LIBSI:96 Formula:C6 H14 O3 CAS:110-98-5 MolWeight:134 RetIndex:0CompName:2-Propanol, 1,1'-oxybis- (CAS) Dipropylene glycol $$ Bis(2-hydroxypropyl) ether $$ 1,1'-Oxydi-2-propanol $$ 2-Propanol, 1,1'-oxydi- $$ 1,1'-Dimethyldiethylene glycol $$ 2,2'-Dihydroxydipropyl ether $$ 2,2'-Dihydroxyisopropyl ether $$ 4-Oxaheptane-100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
31
45
59
72
89
101 115
OCH2CH(OH)MeCH2MeCH(OH)
Hit#:2 Entry:24129 Library:WILEY7.LIBSI:96 Formula:C6 H14 O3 CAS:110-98-5 MolWeight:134 RetIndex:0CompName:2-Propanol, 1,1'-oxybis- (CAS) Dipropylene glycol $$ Bis(2-hydroxypropyl) ether $$ 1,1'-Oxydi-2-propanol $$ 2-Propanol, 1,1'-oxydi- $$ 1,1'-Dimethyldiethylene glycol $$ 2,2'-Dihydroxydipropyl ether $$ 2,2'-Dihydroxyisopropyl ether $$ 4-Oxaheptane-100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
31
45
59
72
89
101 115 135
OCH2CH(OH)MeCH2MeCH(OH)
Hit#:3 Entry:68141 Library:WILEY7.LIBSI:87 Formula:C8 H18 O4 CAS:0-0-0 MolWeight:178 RetIndex:0CompName:4-Methyl-3,6,9-trioxadecan-1-ol $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
31
45
59
72
89
103 117 133 147
Hit#:4 Entry:3945 Library:WILEY7.LIBSI:85 Formula:C4 H8 O2 CAS:625-55-8 MolWeight:88 RetIndex:0CompName:Formic acid, 1-methylethyl ester (CAS) Isopropyl formate $$ Formic acid, isopropyl ester $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
45
59
73
88
CHOPr-iO
Hit#:5 Entry:3948 Library:WILEY7.LIBSI:85 Formula:C4 H8 O2 CAS:625-55-8 MolWeight:88 RetIndex:0CompName:Formic acid, 1-methylethyl ester (CAS) Isopropyl formate $$ Formic acid, isopropyl ester $$ 1-methylethyl formate $$ HCOOCH(CH3)2 $$ UN 1281 $$ Isopropyl formate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
45
59
73
89
CHOPr-iO
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<< Target >>Line#:3 R.Time:7.542(Scan#:762) MassPeaks:14 RawMode:Single 7.542(762) BasePeak:59.05(1291265)BG Mode:Peak Start 7.158(716)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4145
59
75
103
Hit#:1 Entry:24124 Library:WILEY7.LIBSI:96 Formula:C6 H14 O3 CAS:106-62-7 MolWeight:134 RetIndex:0CompName:1-Propanol, 2-(2-hydroxypropoxy)- (CAS) 2-(2-Hydroxypropoxy)-1-propanol $$ 2-(2-HYDROXYPROPOXY)-PROPAN-1-OL $$ Dipropylene glycol $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3145
59
75 89
103
OCHMe CH2OHCH2MeCH(OH)
Hit#:2 Entry:24123 Library:WILEY7.LIBSI:95 Formula:C6 H14 O3 CAS:106-62-7 MolWeight:134 RetIndex:0CompName:1-Propanol, 2-(2-hydroxypropoxy)- (CAS) 2-(2-Hydroxypropoxy)-1-propanol $$ 2-(2-HYDROXYPROPOXY)-PROPAN-1-OL $$ Dipropylene glycol $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3145
59
75 89
103
OCHMe CH2OHCH2MeCH(OH)
Hit#:3 Entry:23728 Library:WILEY7.LIBSI:94 Formula:C6 H14 O3 CAS:0-0-0 MolWeight:134 RetIndex:0CompName:BIS(1-METHYL-2-HYDROXYETHYL)ETHER $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
31 45
59
75 85
103
134 145
Hit#:4 Entry:51421 Library:WILEY7.LIBSI:94 Formula:C8 H18 O3 CAS:54305-61-2 MolWeight:162 RetIndex:0CompName:DIBUTYLENE GLYCOL $$ 2-Butanol, 3,3'-oxybis- $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
31 45
59
75 85
103
134 145
Hit#:5 Entry:84349 Library:WILEY7.LIBSI:93 Formula:C9 H20 O4 CAS:0-0-0 MolWeight:192 RetIndex:0CompName:TRIPROPYLENE GLYCOL 2 $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4145
59
72 85
103
117 130 147 161
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<< Target >>Line#:4 R.Time:7.767(Scan#:789) MassPeaks:12 RawMode:Single 7.767(789) BasePeak:59.00(446424)BG Mode:Peak Start 7.608(770)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4145
59
75
103
Hit#:1 Entry:24124 Library:WILEY7.LIBSI:96 Formula:C6 H14 O3 CAS:106-62-7 MolWeight:134 RetIndex:0CompName:1-Propanol, 2-(2-hydroxypropoxy)- (CAS) 2-(2-Hydroxypropoxy)-1-propanol $$ 2-(2-HYDROXYPROPOXY)-PROPAN-1-OL $$ Dipropylene glycol $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3145
59
75 89
103
OCHMe CH2OHCH2MeCH(OH)
Hit#:2 Entry:24123 Library:WILEY7.LIBSI:95 Formula:C6 H14 O3 CAS:106-62-7 MolWeight:134 RetIndex:0CompName:1-Propanol, 2-(2-hydroxypropoxy)- (CAS) 2-(2-Hydroxypropoxy)-1-propanol $$ 2-(2-HYDROXYPROPOXY)-PROPAN-1-OL $$ Dipropylene glycol $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3145
59
75 89
103
OCHMe CH2OHCH2MeCH(OH)
Hit#:3 Entry:84348 Library:WILEY7.LIBSI:94 Formula:C9 H20 O4 CAS:0-0-0 MolWeight:192 RetIndex:0CompName:TRIPROPYLENE GLYCOL 1 $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4145
59
72 85
103
117 130 147 161 193
Hit#:4 Entry:84349 Library:WILEY7.LIBSI:94 Formula:C9 H20 O4 CAS:0-0-0 MolWeight:192 RetIndex:0CompName:TRIPROPYLENE GLYCOL 2 $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4145
59
72 85
103
117 130 147 161
Hit#:5 Entry:84352 Library:WILEY7.LIBSI:93 Formula:C9 H20 O4 CAS:0-0-0 MolWeight:192 RetIndex:0CompName:TRIPROPYLENE GLYCOL 5 $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4145
59
72 85103 117
161
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<< Target >>Line#:5 R.Time:8.075(Scan#:826) MassPeaks:43 RawMode:Single 8.075(826) BasePeak:67.05(37521)BG Mode:Peak Start 8.017(819)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 55
67
79
95107
123
138
Hit#:1 Entry:28080 Library:WILEY7.LIBSI:95 Formula:C9 H14 O CAS:0-0-0 MolWeight:138 RetIndex:0CompName:TRIPLAL 1 (IFF) $$ 2,4-DIMETHYL-3-CYCLOHEXENE-1-CARBALDEHYDE $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39
55
67
7995
107123
138
Hit#:2 Entry:28079 Library:WILEY7.LIBSI:94 Formula:C9 H14 O CAS:0-0-0 MolWeight:138 RetIndex:0CompName:TRIPLAL 2 (IFF) $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3955
67
8195 107
123138
Hit#:3 Entry:27573 Library:WILEY7.LIBSI:82 Formula:C10 H18 CAS:75873-1-7 MolWeight:138 RetIndex:0CompName:CYCLOPENTANE, 1-METHYL-3-(2-METHYLPROPENYL)- $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
55
67 81
95
109
123
138
Hit#:4 Entry:28123 Library:WILEY7.LIBSI:82 Formula:C10 H18 CAS:62338-7-2 MolWeight:138 RetIndex:0CompName:1,3-Hexadiene, 3-ethyl-2,5-dimethyl- (CAS) 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41 55
67 81
95
109123
138CEtCMe CH2CHMe2CH
Hit#:5 Entry:17223 Library:WILEY7.LIBSI:82 Formula:C8 H12 O CAS:0-0-0 MolWeight:124 RetIndex:0CompName:CYCLOPENTAN-1-AL, 2-METHYL-3-METHYLEN- $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 55 67
81
95
109
124
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<< Target >>Line#:6 R.Time:8.733(Scan#:905) MassPeaks:51 RawMode:Single 8.733(905) BasePeak:71.00(2050259)BG Mode:Peak Start 8.525(880)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
69
71
93
105121
136
Hit#:1 Entry:42910 Library:WILEY7.LIBSI:98 Formula:C10 H18 O CAS:78-70-6 MolWeight:154 RetIndex:0CompName:L-LINALOOL $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
69
71
93
107121
136
CH2CH2CH CMe2CMe(OH)CHH2C
Hit#:2 Entry:43694 Library:WILEY7.LIBSI:97 Formula:C10 H18 O CAS:78-70-6 MolWeight:154 RetIndex:0CompName:Linalool $$ 1,6-Octadien-3-ol, 3,7-dimethyl- (CAS) Linalol $$ .beta.-Linalool $$ Linalyl alcohol $$ 2,6-Dimethyl-2,7-octadien-6-ol $$ allo-Ocimenol $$ p-Linalool $$ LINOLOOL (D) $$ 2,6-Dimethyl-2,7-octadiene-6-ol $$ 2,6-Dimethylocta-2,7-dien-6-ol 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
69
71
93
107
121 136
CH2CH2CH CMe2CMe(OH)CHH2C
Hit#:3 Entry:43693 Library:WILEY7.LIBSI:97 Formula:C10 H18 O CAS:78-70-6 MolWeight:154 RetIndex:0CompName:Linalool $$ 1,6-Octadien-3-ol, 3,7-dimethyl- (CAS) Linalol $$ .beta.-Linalool $$ Linalyl alcohol $$ 2,6-Dimethyl-2,7-octadien-6-ol $$ allo-Ocimenol $$ p-Linalool $$ LINOLOOL (D) $$ 2,6-Dimethyl-2,7-octadiene-6-ol $$ 2,6-Dimethylocta-2,7-dien-6-ol 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4143
69
71
93
107
121136
CH2CH2CH CMe2CMe(OH)CHH2C
Hit#:4 Entry:42931 Library:WILEY7.LIBSI:97 Formula:C10 H18 O CAS:78-70-6 MolWeight:154 RetIndex:0CompName:LINALOOL L $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
69
7193
107
121
136
CH2CH2CH CMe2CMe(OH)CHH2C
Hit#:5 Entry:43686 Library:WILEY7.LIBSI:96 Formula:C10 H18 O CAS:78-70-6 MolWeight:154 RetIndex:0CompName:Linalool $$ 1,6-Octadien-3-ol, 3,7-dimethyl- (CAS) Linalol $$ .beta.-Linalool $$ Linalyl alcohol $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
69
71
93
107121
136
CH2CH2CH CMe2CMe(OH)CHH2C
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<< Target >>Line#:7 R.Time:9.633(Scan#:1013) MassPeaks:41 RawMode:Single 9.633(1013) BasePeak:109.10(38141)BG Mode:Peak Start 9.550(1003)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
416973
91
109
123138
Hit#:1 Entry:46230 Library:WILEY7.LIBSI:88 Formula:C10 H20 O CAS:18479-51-1 MolWeight:156 RetIndex:0CompName:DIHYDRO LINALOOL $$ (+)-ALPHA-LINALOOL, DIHYDRO- $$ 6-Octen-3-ol, 3,7-dimethyl- (CAS) 3,7-Dimethyl-6-octen-3-ol $$ 2,6-Dimethyl-2-octen-6-ol $$ Dihydrolinalool $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
6973
95
109
123138
140
Hit#:2 Entry:45540 Library:WILEY7.LIBSI:87 Formula:C10 H20 O CAS:2270-57-7 MolWeight:156 RetIndex:0CompName:DIHYDRO LINALOOL $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
4369
73
95
109
123138
Hit#:3 Entry:45482 Library:WILEY7.LIBSI:86 Formula:C10 H20 O CAS:18479-49-7 MolWeight:156 RetIndex:0CompName:7,8-DIHYDROLINALOOL $$ 1-Octen-3-ol, 3,7-dimethyl- (CAS) 3,7-Dimethyl-1-octen-3-ol $$ 6,7-Dihydrolinalool $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43 6973
95
109
123
138
143
CMe(OH) CH CH2(CH2)3Me2CH
Hit#:4 Entry:46229 Library:WILEY7.LIBSI:84 Formula:C10 H20 O CAS:18479-51-1 MolWeight:156 RetIndex:0CompName:DIHYDRO LINALOOL $$ (+)-ALPHA-LINALOOL, DIHYDRO- $$ 6-Octen-3-ol, 3,7-dimethyl- (CAS) 3,7-Dimethyl-6-octen-3-ol $$ 2,6-Dimethyl-2-octen-6-ol $$ Dihydrolinalool $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41 69
73
96
109
123 138
Hit#:5 Entry:45481 Library:WILEY7.LIBSI:84 Formula:C10 H20 O CAS:2270-57-7 MolWeight:156 RetIndex:0CompName:DIHYDRO-(+)-.ALPHA.-LINALOOL $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41 69
73
96
109
123 138
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<< Target >>Line#:8 R.Time:9.733(Scan#:1025) MassPeaks:44 RawMode:Single 9.733(1025) BasePeak:81.05(47098)BG Mode:Peak Start 9.675(1018)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39
43
58
81
93 107 121 136
Hit#:1 Entry:42930 Library:WILEY7.LIBSI:89 Formula:C10 H18 O CAS:586-82-3 MolWeight:154 RetIndex:0CompName:TERPINENE 1-OL $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
58
81
93 107121
136
OHMe
i-Pr
Hit#:2 Entry:43767 Library:WILEY7.LIBSI:88 Formula:C10 H18 O CAS:586-82-3 MolWeight:154 RetIndex:0CompName:p-Menth-3-en-1-ol $$ 3-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)- (CAS) 1-Terpinenol $$ 3-Terpinen-1-ol $$ 3-TERPINEN-1-OL (P-MENTH-3-EN-1-OL) $$ 1-Terpineol $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
58
81
93
107
121 136
154
OHMe
i-Pr
Hit#:3 Entry:43768 Library:WILEY7.LIBSI:87 Formula:C10 H18 O CAS:586-82-3 MolWeight:154 RetIndex:0CompName:p-Menth-3-en-1-ol $$ 3-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)- (CAS) 1-Terpinenol $$ 3-Terpinen-1-ol $$ 3-TERPINEN-1-OL (P-MENTH-3-EN-1-OL) $$ 1-Terpineol $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
58
81
93
107
121 136
154
OHMe
i-Pr
Hit#:4 Entry:44065 Library:WILEY7.LIBSI:87 Formula:C10 H18 O CAS:586-82-3 MolWeight:154 RetIndex:0CompName:1-TERPINEOL $$ TERPENENE-1-OL $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
58
81
93
107
121 136
151
OHMe
i-Pr
Hit#:5 Entry:43769 Library:WILEY7.LIBSI:86 Formula:C10 H18 O CAS:586-82-3 MolWeight:154 RetIndex:0CompName:p-Menth-3-en-1-ol $$ 3-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)- (CAS) 1-Terpinenol $$ 3-Terpinen-1-ol $$ 3-TERPINEN-1-OL (P-MENTH-3-EN-1-OL) $$ 1-Terpineol $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
58
81
93107
121 136
OHMe
i-Pr
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<< Target >>Line#:9 R.Time:10.100(Scan#:1069) MassPeaks:56 RawMode:Single 10.100(1069) BasePeak:71.00(91821)BG Mode:Peak Start 9.992(1056)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
69
71
93
107 121 136
Hit#:1 Entry:43885 Library:WILEY7.LIBSI:95 Formula:C10 H18 O CAS:138-87-4 MolWeight:154 RetIndex:0CompName:Cyclohexanol, 1-methyl-4-(1-methylethenyl)- (CAS) .beta.-Terpineol $$ TRANS .BETA.-TERPINEOL $$ CYCLOHEXANOL, 4-ISOPROPENYL-1-METHYL- $$ p-Menth-8-en-1-ol $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
69
71
93
107 121136
CMe
CH2
HOMe
Hit#:2 Entry:43887 Library:WILEY7.LIBSI:95 Formula:C10 H18 O CAS:138-87-4 MolWeight:154 RetIndex:0CompName:Cyclohexanol, 1-methyl-4-(1-methylethenyl)- (CAS) .beta.-Terpineol $$ TRANS .BETA.-TERPINEOL $$ CYCLOHEXANOL, 4-ISOPROPENYL-1-METHYL- $$ p-Menth-8-en-1-ol $$ BETA-TERPINEOL $$ t-Menth-1-en-8-ol $$ BETA-TERPINOL $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
69
71
93
107 121136
CMe
CH2
HOMe
Hit#:3 Entry:43886 Library:WILEY7.LIBSI:95 Formula:C10 H18 O CAS:138-87-4 MolWeight:154 RetIndex:0CompName:Cyclohexanol, 1-methyl-4-(1-methylethenyl)- (CAS) .beta.-Terpineol $$ TRANS .BETA.-TERPINEOL $$ CYCLOHEXANOL, 4-ISOPROPENYL-1-METHYL- $$ p-Menth-8-en-1-ol $$ BETA-TERPINEOL $$ t-Menth-1-en-8-ol $$ BETA-TERPINOL $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
69
71
93
107121
136
CMe
CH2
HOMe
Hit#:4 Entry:43884 Library:WILEY7.LIBSI:94 Formula:C10 H18 O CAS:138-87-4 MolWeight:154 RetIndex:0CompName:Cyclohexanol, 1-methyl-4-(1-methylethenyl)- (CAS) .beta.-Terpineol $$ TRANS .BETA.-TERPINEOL $$ CYCLOHEXANOL, 4-ISOPROPENYL-1-METHYL- $$ p-Menth-8-en-1-ol $$ BETA-TERPINEOL $$ t-Menth-1-en-8-ol $$ BETA-TERPINOL $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
69
71
93
107 121136
CMe
CH2
HOMe
Hit#:5 Entry:42929 Library:WILEY7.LIBSI:94 Formula:C10 H18 O CAS:138-87-4 MolWeight:154 RetIndex:0CompName:.BETA. TERPINEOL $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
69
71 93
107 121 136
CMe
CH2
HOMe
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<< Target >>Line#:10 R.Time:11.100(Scan#:1189) MassPeaks:29 RawMode:Single 11.100(1189) BasePeak:108.00(5273529)BG Mode:Peak Start 10.650(1135)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39
43
65
79
91
108
150
Hit#:1 Entry:38457 Library:WILEY7.LIBSI:96 Formula:C9 H10 O2 CAS:140-11-4 MolWeight:150 RetIndex:0CompName:Acetic acid, phenylmethyl ester (CAS) Benzyl acetate $$ ETHANOIC ACID, BENZYL ESTER $$ Benzyl ethanoate $$ .alpha.-Acetoxytoluene $$ Acetic acid, benzyl ester $$ Benzyl ester of acetic acid $$ NCI-C06508 $$ Benzylester kyseliny octove $$ Phenylmet100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39
43
6579
91
108
150
CH2OAc
Hit#:2 Entry:38446 Library:WILEY7.LIBSI:96 Formula:C9 H10 O2 CAS:140-11-4 MolWeight:150 RetIndex:0CompName:Acetic acid, phenylmethyl ester (CAS) Benzyl acetate $$ ETHANOIC ACID, BENZYL ESTER $$ Benzyl ethanoate $$ .alpha.-Acetoxytoluene $$ Acetic acid, benzyl ester $$ Benzyl ester of acetic acid $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
43
6579
91
108
150
CH2OAc
Hit#:3 Entry:38453 Library:WILEY7.LIBSI:96 Formula:C9 H10 O2 CAS:140-11-4 MolWeight:150 RetIndex:0CompName:Acetic acid, phenylmethyl ester (CAS) Benzyl acetate $$ ETHANOIC ACID, BENZYL ESTER $$ Benzyl ethanoate $$ .alpha.-Acetoxytoluene $$ Acetic acid, benzyl ester $$ Benzyl ester of acetic acid $$ NCI-C06508 $$ Benzylester kyseliny octove $$ Phenylmet100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39
43
6579
91
108
112
150
CH2OAc
Hit#:4 Entry:38445 Library:WILEY7.LIBSI:94 Formula:C9 H10 O2 CAS:140-11-4 MolWeight:150 RetIndex:0CompName:Acetic acid, phenylmethyl ester (CAS) Benzyl acetate $$ ETHANOIC ACID, BENZYL ESTER $$ Benzyl ethanoate $$ .alpha.-Acetoxytoluene $$ Acetic acid, benzyl ester $$ Benzyl ester of acetic acid $$ NCI-C06508 $$ Benzylester kyseliny octove $$ Phenylmet100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39
43
6579
91
108
150
CH2OAc
Hit#:5 Entry:38447 Library:WILEY7.LIBSI:94 Formula:C9 H10 O2 CAS:140-11-4 MolWeight:150 RetIndex:0CompName:Acetic acid, phenylmethyl ester (CAS) Benzyl acetate $$ ETHANOIC ACID, BENZYL ESTER $$ Benzyl ethanoate $$ .alpha.-Acetoxytoluene $$ Acetic acid, benzyl ester $$ Benzyl ester of acetic acid $$ NCI-C06508 $$ Benzylester kyseliny octove $$ Phenylmet100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39
43
6579
91
108
150
CH2OAc
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
11 / 29
<< Target >>Line#:11 R.Time:11.300(Scan#:1213) MassPeaks:43 RawMode:Single 11.300(1213) BasePeak:71.00(43933)BG Mode:Peak Start 11.200(1201)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4143
69
71
93 111
121 136 154
Hit#:1 Entry:43754 Library:WILEY7.LIBSI:92 Formula:C10 H18 O CAS:562-74-3 MolWeight:154 RetIndex:0CompName:3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- (CAS) 4-Terpineol $$ TERPINENE-4-OL $$ 1-Terpinen-4-ol $$ 4-Carvomenthenol $$ p-Menth-1-en-4-ol $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41 69
71
93 111
112136 154
OHPr-i
Me
Hit#:2 Entry:43755 Library:WILEY7.LIBSI:92 Formula:C10 H18 O CAS:562-74-3 MolWeight:154 RetIndex:0CompName:3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- (CAS) 4-Terpineol $$ Terpinene-4-ol $$ 1-Terpinen-4-ol $$ 4-Carvomenthenol $$ p-Menth-1-en-4-ol $$ TERPINEOL-4 $$ Terpinen-4-ol $$ 1-Methyl-4-isopropyl-1-cyclohexen-4-ol $$ 4-Terpinenol $$ Terpene-4-o100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
69
71
93111
112136 154
OHPr-i
Me
Hit#:3 Entry:43759 Library:WILEY7.LIBSI:91 Formula:C10 H18 O CAS:562-74-3 MolWeight:154 RetIndex:0CompName:3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- (CAS) 4-Terpineol $$ Terpinene-4-ol $$ 1-Terpinen-4-ol $$ 4-Carvomenthenol $$ p-Menth-1-en-4-ol $$ TERPINEOL-4 $$ Terpinen-4-ol $$ 1-Methyl-4-isopropyl-1-cyclohexen-4-ol $$ 4-Terpinenol $$ Terpene-4-o100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
69
71
93111
121 136154
OHPr-i
Me
Hit#:4 Entry:43765 Library:WILEY7.LIBSI:91 Formula:C10 H18 O CAS:562-74-3 MolWeight:154 RetIndex:0CompName:3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- (CAS) 4-Terpineol $$ Terpinene-4-ol $$ 1-Terpinen-4-ol $$ 4-Carvomenthenol $$ p-Menth-1-en-4-ol $$ TERPINEOL-4 $$ Terpinen-4-ol $$ 1-Methyl-4-isopropyl-1-cyclohexen-4-ol $$ 4-Terpinenol $$ Terpene-4-o100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
69
71
93 111
121 136 154
OHPr-i
Me
Hit#:5 Entry:43764 Library:WILEY7.LIBSI:91 Formula:C10 H18 O CAS:562-74-3 MolWeight:154 RetIndex:0CompName:3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- (CAS) 4-Terpineol $$ Terpinene-4-ol $$ 1-Terpinen-4-ol $$ 4-Carvomenthenol $$ p-Menth-1-en-4-ol $$ TERPINEOL-4 $$ Terpinen-4-ol $$ 1-Methyl-4-isopropyl-1-cyclohexen-4-ol $$ 4-Terpinenol $$ Terpene-4-o100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
69
71
93 111
112 136 154
OHPr-i
Me
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
12 / 29
<< Target >>Line#:12 R.Time:11.700(Scan#:1261) MassPeaks:42 RawMode:Single 11.700(1261) BasePeak:59.05(1912947)BG Mode:Peak Start 11.550(1243)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
59
81
93
107
121136
Hit#:1 Entry:108817 Library:WILEY7.LIBSI:97 Formula:C13 H22 O2 CAS:144-39-8 MolWeight:210 RetIndex:0CompName:Linalyl propionate $$ 1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate (CAS) Linalyl propanoate $$ 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
59
81
93
107
121 136 CH2CMeOC(O) Et
CH CH2
CH2CHMe2C
Hit#:2 Entry:43785 Library:WILEY7.LIBSI:97 Formula:C10 H18 O CAS:10482-56-1 MolWeight:154 RetIndex:0CompName:3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)- (CAS) p-Menth-1-en-8-ol, (S)-(-)- $$ ALPHA-TERPINEOL $$ (-)-.alpha.-Terpineol $$ (+)-ALPHA-TERPINEOL (P-MENTH-1-EN-8-OL) $$ (-)-ALPHA-TERPINEOL (P-MENTH-1-EN-8-OL) $$ l-.alpha.-Terpineol100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
59
81
93
107
121136
CMe2OH
Me
Hit#:3 Entry:43776 Library:WILEY7.LIBSI:96 Formula:C10 H18 O CAS:98-55-5 MolWeight:154 RetIndex:0CompName:3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl- (CAS) CYCLOHEXENE, 1-METHYL-4-(2-PROPANOL-2-YL)- $$ 4-(1-HYDROXY-1-METHYLETHYL)-1-METHYLCYCLOHEXENE $$ .alpha.-Terpineol $$ l-.alpha.-Terpineol $$ 3-Cyclohexene-1-methanol, .alpha.,.alpha.4-tr100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
59
81
93
107
121 136
CMe2OH
Me
Hit#:4 Entry:43777 Library:WILEY7.LIBSI:96 Formula:C10 H18 O CAS:98-55-5 MolWeight:154 RetIndex:0CompName:3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl- (CAS) CYCLOHEXENE, 1-METHYL-4-(2-PROPANOL-2-YL)- $$ 4-(1-HYDROXY-1-METHYLETHYL)-1-METHYLCYCLOHEXENE $$ .alpha.-Terpineol $$ l-.alpha.-Terpineol $$ 3-Cyclohexene-1-methanol, .alpha.,.alpha.4-tr100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
59
81
93
107
121 136
CMe2OH
Me
Hit#:5 Entry:108820 Library:WILEY7.LIBSI:96 Formula:C13 H22 O2 CAS:144-39-8 MolWeight:210 RetIndex:0CompName:Linalyl propionate $$ 1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate (CAS) Linalyl propanoate $$ 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
59
81
93
107
121 136 CH2CMeOC(O) Et
CH CH2
CH2CHMe2C
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
13 / 29
<< Target >>Line#:13 R.Time:11.858(Scan#:1280) MassPeaks:54 RawMode:Single 11.858(1280) BasePeak:121.10(745084)BG Mode:Peak Start 11.775(1270)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
6779
93
107
121
136
154
Hit#:1 Entry:44015 Library:WILEY7.LIBSI:95 Formula:C10 H18 O CAS:586-81-2 MolWeight:154 RetIndex:0CompName:GAMMA-TERPINEOL $$ .gamma.-terpineol $$ Cyclohexanol, 1-methyl-4-(1-methylethylidene)- $$ p-Menth-4(8)-en-1-ol (CAS) 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
6781
93
107
121
136
154
Hit#:2 Entry:90186 Library:WILEY7.LIBSI:90 Formula:C12 H20 O2 CAS:80-26-2 MolWeight:196 RetIndex:0CompName:.ALPHA.-TERPINENYL ACETATE $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
67 79
93
107
121
136
140
COAc
Me
Me
Me
Hit#:3 Entry:91040 Library:WILEY7.LIBSI:89 Formula:C12 H20 O2 CAS:80-26-2 MolWeight:196 RetIndex:0CompName:1-P-MENTHEN-8-YL ACETATE $$ 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate (CAS) .alpha.-Terpinyl acetate $$ .alpha.-Terpineol acetate $$ p-Menth-1-en-8-ol, acetate $$ Terpinyl acetate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
59 81
93
107
121136
181
COAc
Me
Me
Me
Hit#:4 Entry:26364 Library:WILEY7.LIBSI:88 Formula:C10 H16 CAS:514-95-4 MolWeight:136 RetIndex:0CompName:2,6,6-TRIMETHYL-1-METHYLEN-CYCLOHEX-2-ENE $$ Cyclohexene, 1,5,5-trimethyl-6-methylene- (CAS) .gamma.-Pyronene $$ 1,5,5-TRIMETHYL-6-METHYLENE-CYCLOHEXENE $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4155 67
79
93
107
121
136
MeMe
CH2
Me
Hit#:5 Entry:91039 Library:WILEY7.LIBSI:88 Formula:C12 H20 O2 CAS:80-26-2 MolWeight:196 RetIndex:0CompName:1-P-MENTHEN-8-YL ACETATE $$ 3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, acetate (CAS) .alpha.-Terpinyl acetate $$ .alpha.-Terpineol acetate $$ p-Menth-1-en-8-ol, acetate $$ Terpinyl acetate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
43
67 79
93
107
121136
COAc
Me
Me
Me
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
14 / 29
<< Target >>Line#:14 R.Time:12.750(Scan#:1387) MassPeaks:41 RawMode:Single 12.750(1387) BasePeak:41.05(884731)BG Mode:Peak Start 12.400(1345)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
55
69
8195
109 123 138 156
Hit#:1 Entry:46127 Library:WILEY7.LIBSI:97 Formula:C10 H20 O CAS:106-22-9 MolWeight:156 RetIndex:0CompName:.beta.-Citronellol $$ 6-Octen-1-ol, 3,7-dimethyl- (CAS) Citronellol $$ Rodinol $$ Cephrol $$ 3,7-Dimethyl-6-octen-1-ol $$ 2,3-Dihydrogeraniol $$ BETA-CITRONELLOL $$ D-CITRONELLOL $$ L-CITRONELLOL $$ RHODINOL $$ Elenol $$ 2,6-Dimethyl-2-octen-8-ol 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
55
69
8195
109 123138 156
CH2CH2CH CMe 2CHMeCH2HOCH 2
Hit#:2 Entry:46136 Library:WILEY7.LIBSI:97 Formula:C10 H20 O CAS:106-22-9 MolWeight:156 RetIndex:0CompName:.beta.-Citronellol $$ 6-Octen-1-ol, 3,7-dimethyl- (CAS) Citronellol $$ Rodinol $$ Cephrol $$ 3,7-Dimethyl-6-octen-1-ol $$ 2,3-Dihydrogeraniol $$ BETA-CITRONELLOL $$ D-CITRONELLOL $$ L-CITRONELLOL $$ RHODINOL $$ Elenol $$ 2,6-Dimethyl-2-octen-8-ol 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
55
69
8195
109 123138 156
CH2CH2CH CMe 2CHMeCH2HOCH 2
Hit#:3 Entry:46128 Library:WILEY7.LIBSI:97 Formula:C10 H20 O CAS:106-22-9 MolWeight:156 RetIndex:0CompName:.beta.-Citronellol $$ 6-Octen-1-ol, 3,7-dimethyl- (CAS) Citronellol $$ Rodinol $$ Cephrol $$ 3,7-Dimethyl-6-octen-1-ol $$ 2,3-Dihydrogeraniol $$ BETA-CITRONELLOL $$ D-CITRONELLOL $$ L-CITRONELLOL $$ RHODINOL $$ Elenol $$ 2,6-Dimethyl-2-octen-8-ol 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
55
69
8195
109 123138 156
CH2CH2CH CMe 2CHMeCH2HOCH 2
Hit#:4 Entry:46124 Library:WILEY7.LIBSI:97 Formula:C10 H20 O CAS:106-22-9 MolWeight:156 RetIndex:0CompName:.beta.-Citronellol $$ 6-Octen-1-ol, 3,7-dimethyl- (CAS) Citronellol $$ Rodinol $$ Cephrol $$ 3,7-Dimethyl-6-octen-1-ol $$ 2,3-Dihydrogeraniol $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
55
69
8295
109 123138 156
CH2CH2CH CMe 2CHMeCH2HOCH 2
Hit#:5 Entry:46130 Library:WILEY7.LIBSI:95 Formula:C10 H20 O CAS:106-22-9 MolWeight:156 RetIndex:0CompName:.beta.-Citronellol $$ 6-Octen-1-ol, 3,7-dimethyl- (CAS) Citronellol $$ Rodinol $$ Cephrol $$ 3,7-Dimethyl-6-octen-1-ol $$ 2,3-Dihydrogeraniol $$ BETA-CITRONELLOL $$ D-CITRONELLOL $$ L-CITRONELLOL $$ RHODINOL $$ Elenol $$ 2,6-Dimethyl-2-octen-8-ol 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
55
69
81
95
109 123 138 156
CH2CH2CH CMe 2CHMeCH2HOCH 2
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
15 / 29
<< Target >>Line#:15 R.Time:13.467(Scan#:1473) MassPeaks:47 RawMode:Single 13.467(1473) BasePeak:93.05(2231455)BG Mode:Peak Start 13.150(1435)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
6980
93
107
121
136
Hit#:1 Entry:90994 Library:WILEY7.LIBSI:97 Formula:C12 H20 O2 CAS:115-95-7 MolWeight:196 RetIndex:0CompName:Linalyl acetate $$ 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate (CAS) ETHANOIC ACID,3,7-DIMETHYL-1,6-OCTADIEN-3-OL ESTER $$ Bergamol $$ Bergamiol $$ Linalool acetate $$ Bergamot mint oil $$ Acetic acid linalool ester $$ 1,5-Dimethyl-1-vinyl-4-hexenyl100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
6980
93
107
121
136154
CH2CMeOAc
CH CH2
CH2CHMe2C
Hit#:2 Entry:183128 Library:WILEY7.LIBSI:97 Formula:C17 H23 N O2 CAS:7149-26-0 MolWeight:273 RetIndex:0CompName:1,6-Octadien-3-ol, 3,7-dimethyl-, 2-aminobenzoate $$ Anthranilic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester $$ Linalyl anthranilate $$ Anthranilic acid, linalyl ester $$ 3,7-Dimethyl-1,6-octadien-3-yl, anthranilate $$ 3,7-Dimethyl-1,6-octadien-3-y100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
6980
93
105
121
136
C(O) OCMeCH2CH2CH CMe 2
CH CH2
NH2
Hit#:3 Entry:90276 Library:WILEY7.LIBSI:97 Formula:C12 H20 O2 CAS:0-0-0 MolWeight:196 RetIndex:0CompName:LINALYL ACETATE $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
69
80
93
107
121
136154
Hit#:4 Entry:91115 Library:WILEY7.LIBSI:95 Formula:C12 H20 O2 CAS:115-95-7 MolWeight:196 RetIndex:0CompName:linalyl acetate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
6980
93
107
121
136154
CH2CMeOAc
CH CH2
CH2CHMe2C
Hit#:5 Entry:90185 Library:WILEY7.LIBSI:95 Formula:C12 H20 O2 CAS:115-95-7 MolWeight:196 RetIndex:0CompName:LINALYL ACETATE $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
69
80
93
107
121
136154
CH2CMeOAc
CH CH2
CH2CHMe2C
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
16 / 29
<< Target >>Line#:16 R.Time:13.708(Scan#:1502) MassPeaks:27 RawMode:Single 13.708(1502) BasePeak:91.00(539219)BG Mode:Peak Start 13.625(1492)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 51
57
79
91 108
164
Hit#:1 Entry:53595 Library:WILEY7.LIBSI:96 Formula:C10 H12 O2 CAS:122-63-4 MolWeight:164 RetIndex:0CompName:Propanoic acid, phenylmethyl ester (CAS) Benzyl propionate $$ PROPANOIC ACID, BENZOL ESTER $$ Propionic acid, benzyl ester $$ benzyl propanoate $$ Benzyl propionate fcc $$ Benzyl propionate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
51
57
79
91 108
164
CH2OC(O)Et
Hit#:2 Entry:53599 Library:WILEY7.LIBSI:96 Formula:C10 H12 O2 CAS:122-63-4 MolWeight:164 RetIndex:0CompName:Propanoic acid, phenylmethyl ester (CAS) Benzyl propionate $$ PROPANOIC ACID, BENZOL ESTER $$ Propionic acid, benzyl ester $$ benzyl propanoate $$ Benzyl propionate fcc $$ Benzyl propionate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 51
57
79
91 108
164
CH2OC(O)Et
Hit#:3 Entry:53594 Library:WILEY7.LIBSI:95 Formula:C10 H12 O2 CAS:122-63-4 MolWeight:164 RetIndex:0CompName:Propanoic acid, phenylmethyl ester (CAS) Benzyl propionate $$ PROPANOIC ACID, BENZOL ESTER $$ Propionic acid, benzyl ester $$ benzyl propanoate $$ Benzyl propionate fcc $$ Benzyl propionate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
51
57
77
91108
164
CH2OC(O)Et
Hit#:4 Entry:53597 Library:WILEY7.LIBSI:95 Formula:C10 H12 O2 CAS:122-63-4 MolWeight:164 RetIndex:0CompName:Propanoic acid, phenylmethyl ester (CAS) Benzyl propionate $$ PROPANOIC ACID, BENZOL ESTER $$ Propionic acid, benzyl ester $$ benzyl propanoate $$ Benzyl propionate fcc $$ Benzyl propionate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
51
57
79
91 108
164
CH2OC(O)Et
Hit#:5 Entry:53596 Library:WILEY7.LIBSI:93 Formula:C10 H12 O2 CAS:122-63-4 MolWeight:164 RetIndex:0CompName:Propanoic acid, phenylmethyl ester (CAS) Benzyl propionate $$ PROPANOIC ACID, BENZOL ESTER $$ Propionic acid, benzyl ester $$ benzyl propanoate $$ Benzyl propionate fcc $$ Benzyl propionate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
51
57
79
91 108
164
CH2OC(O)Et
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
17 / 29
<< Target >>Line#:17 R.Time:15.583(Scan#:1727) MassPeaks:22 RawMode:Single 15.583(1727) BasePeak:117.05(156167)BG Mode:Peak Start 15.500(1717)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 5163
90
117
Hit#:1 Entry:14233 Library:WILEY7.LIBSI:94 Formula:C8 H7 N CAS:120-72-9 MolWeight:117 RetIndex:0CompName:1H-Indole (CAS) Indole $$ Ketole $$ 1-Azaindene $$ 1-Benzazole $$ 2,3-Benzopyrrole $$ Benzopyrrole $$ Indol $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 5063
90
117
NH
Hit#:2 Entry:14227 Library:WILEY7.LIBSI:94 Formula:C8 H7 N CAS:120-72-9 MolWeight:117 RetIndex:0CompName:1H-Indole (CAS) Indole $$ Ketole $$ 1-Azaindene $$ 1-Benzazole $$ 2,3-Benzopyrrole $$ Benzopyrrole $$ Indol $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
40 5063
74
90
98
117
NH
Hit#:3 Entry:14224 Library:WILEY7.LIBSI:93 Formula:C8 H7 N CAS:120-72-9 MolWeight:117 RetIndex:0CompName:1H-Indole (CAS) Indole $$ Ketole $$ 1-Azaindene $$ 1-Benzazole $$ 2,3-Benzopyrrole $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 5063
74
90
117
NH
Hit#:4 Entry:14231 Library:WILEY7.LIBSI:92 Formula:C8 H7 N CAS:120-72-9 MolWeight:117 RetIndex:0CompName:1H-Indole (CAS) Indole $$ Ketole $$ 1-Azaindene $$ 1-Benzazole $$ 2,3-Benzopyrrole $$ Benzopyrrole $$ Indol $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 5063
74
90
117
NH
Hit#:5 Entry:14240 Library:WILEY7.LIBSI:92 Formula:C8 H7 N CAS:274-40-8 MolWeight:117 RetIndex:0CompName:Indolizine (CAS) Indolizin $$ Pyrrocolin $$ Pyrrocoline $$ Pyrrolo[1,2-a]pyridine $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 5163
78
90
117
N
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
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<< Target >>Line#:18 R.Time:16.825(Scan#:1876) MassPeaks:31 RawMode:Single 16.825(1876) BasePeak:119.00(44390)BG Mode:Peak Start 16.700(1861)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3952
65
80
92
119
151
Hit#:1 Entry:39322 Library:WILEY7.LIBSI:95 Formula:C8 H9 N O2 CAS:134-20-3 MolWeight:151 RetIndex:0CompName:Benzoic acid, 2-amino-, methyl ester (CAS) Methyl anthranilate $$ Methyl o-aminobenzoate $$ o-Carbomethoxyaniline $$ Methyl 2-aminobenzoate $$ 2-(Methoxycarbonyl)aniline $$ Anthranilic acid methyl ester $$ Anthranilic acid, methyl ester $$ 2-Amino100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3952
65
76
92
119
151
C(O) OMe
NH2
Hit#:2 Entry:39320 Library:WILEY7.LIBSI:95 Formula:C8 H9 N O2 CAS:134-20-3 MolWeight:151 RetIndex:0CompName:Benzoic acid, 2-amino-, methyl ester (CAS) Methyl anthranilate $$ Methyl o-aminobenzoate $$ o-Carbomethoxyaniline $$ Methyl 2-aminobenzoate $$ 2-(Methoxycarbonyl)aniline $$ Anthranilic acid methyl ester $$ Anthranilic acid, methyl ester $$ 2-Amino100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3952
65
75
92
119
151C(O) OMe
NH2
Hit#:3 Entry:39325 Library:WILEY7.LIBSI:94 Formula:C8 H9 N O2 CAS:134-20-3 MolWeight:151 RetIndex:0CompName:Benzoic acid, 2-amino-, methyl ester (CAS) Methyl anthranilate $$ Methyl o-aminobenzoate $$ o-Carbomethoxyaniline $$ Methyl 2-aminobenzoate $$ 2-(Methoxycarbonyl)aniline $$ Anthranilic acid methyl ester $$ Anthranilic acid, methyl ester $$ 2-Amino100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3952
65
76
92
119
151
154
C(O) OMe
NH2
Hit#:4 Entry:39327 Library:WILEY7.LIBSI:93 Formula:C8 H9 N O2 CAS:134-20-3 MolWeight:151 RetIndex:0CompName:Benzoic acid, 2-amino-, methyl ester (CAS) Methyl anthranilate $$ Methyl o-aminobenzoate $$ o-Carbomethoxyaniline $$ Methyl 2-aminobenzoate $$ 2-(Methoxycarbonyl)aniline $$ Anthranilic acid methyl ester $$ Anthranilic acid, methyl ester $$ 2-Amino100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3952
65
92
119
151
154
C(O) OMe
NH2
Hit#:5 Entry:39033 Library:WILEY7.LIBSI:93 Formula:C8 H9 N O2 CAS:0-0-0 MolWeight:151 RetIndex:0CompName:METHYLANTHRANILATE $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 52
65
76
92
119
135
151
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
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<< Target >>Line#:19 R.Time:17.025(Scan#:1900) MassPeaks:56 RawMode:Single 17.025(1900) BasePeak:164.00(39078)BG Mode:Peak Start 16.950(1891)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39
55
65
7791
103
121131 149
164
Hit#:1 Entry:53660 Library:WILEY7.LIBSI:94 Formula:C10 H12 O2 CAS:97-53-0 MolWeight:164 RetIndex:0CompName:Phenol, 2-methoxy-4-(2-propenyl)- (CAS) Eugenol $$ 1-(2-PROPENYL)-4-HYDROXY-3-METHOXYBENZENE $$ Engenol $$ p-Eugenol $$ Eugenic acid $$ 4-Allylguaiacol $$ p-Allylguaiacol $$ Caryophyllic acid $$ 4-Allyl-2-methoxyphenol $$ 2-Methoxy-4-allylphenol $100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3955
65
7791 103
121131 149
164
CH2CH CH2OMe
HO
Hit#:2 Entry:53667 Library:WILEY7.LIBSI:93 Formula:C10 H12 O2 CAS:97-53-0 MolWeight:164 RetIndex:0CompName:Phenol, 2-methoxy-4-(2-propenyl)- (CAS) Eugenol $$ 1-(2-PROPENYL)-4-HYDROXY-3-METHOXYBENZENE $$ Engenol $$ p-Eugenol $$ Eugenic acid $$ 4-Allylguaiacol $$ p-Allylguaiacol $$ Caryophyllic acid $$ 4-Allyl-2-methoxyphenol $$ 2-Methoxy-4-allylphenol $100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
5155
65
7791
103
121131
149
164
CH2CH CH2OMe
HO
Hit#:3 Entry:52834 Library:WILEY7.LIBSI:93 Formula:C10 H12 O2 CAS:1941-12-4 MolWeight:164 RetIndex:0CompName:Phenol, 2-methoxy-3-(2-propenyl)- (CAS) Phenol, 3-allyl-2-methoxy- (CAS) 3-Allylguaiacol $$ Guaiacol, 3-allyl- (CAS) 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3955
65
7791
103121 131
149
164
Hit#:4 Entry:53715 Library:WILEY7.LIBSI:90 Formula:C10 H12 O2 CAS:19784-98-6 MolWeight:164 RetIndex:0CompName:Phenol, 2-methoxy-5-(1-propenyl)-, (E)- (CAS) Phenol, 2-methoxy-5-propenyl-, (E)- $$ trans-m-Propenyl guaiacol $$ 3157101009 TRANS - ISOEUGENOL $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39
55
65
77 91 103 121131
149
164
180
Hit#:5 Entry:53646 Library:WILEY7.LIBSI:90 Formula:C10 H12 O2 CAS:5932-68-3 MolWeight:164 RetIndex:0CompName:Phenol, 2-methoxy-4-(1-propenyl)-, (E)- (CAS) (E)-Isoeugenol $$ trans-Isoeugenol $$ trans-p-Propenylquaiacol $$ Phenol,2-methoxy-4-propenyl-, (E)- $$ Phenol, 2-methoxy-4-propenyl-, (E)- $$ trans-2-Methoxy-4-propenylphenol $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39
55
65
77 91 103 121131
149
164
180
CH CHMeOMe
HO
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
20 / 29
<< Target >>Line#:20 R.Time:17.450(Scan#:1951) MassPeaks:25 RawMode:Single 17.450(1951) BasePeak:69.00(17222)BG Mode:Peak Start 17.350(1939)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
69
8093
107 121 136
Hit#:1 Entry:91009 Library:WILEY7.LIBSI:91 Formula:C12 H20 O2 CAS:105-87-3 MolWeight:196 RetIndex:0CompName:Geranyl acetate $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)- (CAS) Geraniol acetate $$ Bay pine (oyster) oil $$ Acetic acid geraniol ester $$ trans-3,7-Dimethyl-2,6-octadien-1-yl acetate $$ Geranyl ethanoate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
69
80
93
107121 136
154
CH2C CHCH2OAc
Me
CH2CHCMe
Me
Hit#:2 Entry:91015 Library:WILEY7.LIBSI:91 Formula:C12 H20 O2 CAS:105-87-3 MolWeight:196 RetIndex:0CompName:Geranyl acetate $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)- (CAS) Geraniol acetate $$ Bay pine (oyster) oil $$ Acetic acid geraniol ester $$ trans-3,7-Dimethyl-2,6-octadien-1-yl acetate $$ Geranyl ethanoate $$ Acetic acid, geraniol ester $$100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
69
8093
107121
136
154 196
CH2C CHCH2OAc
Me
CH2CHCMe
Me
Hit#:3 Entry:91014 Library:WILEY7.LIBSI:91 Formula:C12 H20 O2 CAS:105-87-3 MolWeight:196 RetIndex:0CompName:Geranyl acetate $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)- (CAS) Geraniol acetate $$ Bay pine (oyster) oil $$ Acetic acid geraniol ester $$ trans-3,7-Dimethyl-2,6-octadien-1-yl acetate $$ Geranyl ethanoate $$ Acetic acid, geraniol ester $$100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
69
8093
107121 136
154
CH2C CHCH2OAc
Me
CH2CHCMe
Me
Hit#:4 Entry:92833 Library:WILEY7.LIBSI:91 Formula:C12 H22 O2 CAS:0-0-0 MolWeight:198 RetIndex:0CompName:NERYL ACETATE $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
69
80
93
107121 136
154
Hit#:5 Entry:91003 Library:WILEY7.LIBSI:90 Formula:C12 H20 O2 CAS:141-12-8 MolWeight:196 RetIndex:0CompName:Neryl acetate $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)- (CAS) Nerol acetate $$ Linalyl, neryl, geranyl acetates, mixture $$ cis-Geranyl acetate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43
69
80
93
107121 136
154
CH2C CHCH2OAc
Me
CH2CHCMe
Me
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
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<< Target >>Line#:21 R.Time:18.250(Scan#:2047) MassPeaks:73 RawMode:Single 18.250(2047) BasePeak:41.05(26986)BG Mode:Peak Start 17.750(1987)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
55
69 7993
105
120
133
147 161175 189 204
Hit#:1 Entry:100781 Library:WILEY7.LIBSI:93 Formula:C15 H24 CAS:87-44-5 MolWeight:204 RetIndex:0CompName:trans-Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- (CAS) l-Caryophyllene $$ (-)-Caryophyllene $$ Caryophyllene $$ .beta.-Caryophyllen $$ .beta.-Caryophyllene $$ .beta.-Caryophyllene, (-) $$ Bicyclo100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
55
69
79
93
107120
133
148 161175 189 204
CH2
Me
Me
Me
Hit#:2 Entry:100792 Library:WILEY7.LIBSI:93 Formula:C15 H24 CAS:87-44-5 MolWeight:204 RetIndex:0CompName:trans-Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- (CAS) l-Caryophyllene $$ (-)-Caryophyllene $$ Caryophyllene $$ .beta.-Caryophyllen $$ .beta.-Caryophyllene $$ .beta.-Caryophyllene, (-) $$ Bicyclo100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
55
69
79
93
107120
133
148 161175 189 204
CH2
Me
Me
Me
Hit#:3 Entry:100788 Library:WILEY7.LIBSI:92 Formula:C15 H24 CAS:87-44-5 MolWeight:204 RetIndex:0CompName:trans-Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- (CAS) l-Caryophyllene $$ (-)-Caryophyllene $$ Caryophyllene $$ .beta.-Caryophyllen $$ .beta.-Caryophyllene $$ .beta.-Caryophyllene, (-) $$ Bicyclo100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
55
6979
93
105120
133
147 161175 189 204
CH2
Me
Me
Me
Hit#:4 Entry:100774 Library:WILEY7.LIBSI:91 Formula:C15 H24 CAS:87-44-5 MolWeight:204 RetIndex:0CompName:trans-Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- (CAS) l-Caryophyllene $$ (-)-Caryophyllene $$ Caryophyllene $$ .beta.-Caryophyllen $$ .beta.-Caryophyllene $$ .beta.-Caryophyllene, (-) $$ Bicyclo100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
55
69
79
93
105 120
133
147 161
175189 204
CH2
Me
Me
Me
Hit#:5 Entry:100799 Library:WILEY7.LIBSI:91 Formula:C15 H24 CAS:118-65-0 MolWeight:204 RetIndex:0CompName:ISOCARYOPHYLLEN $$ .GAMMA.-CARYOPHYLLENE $$ isocaryophyllene (CAS) Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-,[1R-(1R@,4Z,9S@)]- $$ (-)-ISOCARYOPHYLLEN $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4Z,9S*)]-100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
55
69
79
93
105119
133
147
161
175 189 204
CH2
Me
Me
Me
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
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<< Target >>Line#:22 R.Time:20.058(Scan#:2264) MassPeaks:21 RawMode:Single 20.058(2264) BasePeak:121.05(249899)BG Mode:Peak Start 19.875(2242)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 51 6577 91 108
121
178
Hit#:1 Entry:69485 Library:WILEY7.LIBSI:91 Formula:C12 H18 O CAS:20056-58-0 MolWeight:178 RetIndex:0CompName:Benzene, 1-methoxy-4-pentyl- (CAS) P-N-AMYLANISOLE $$ p-Pentylanisole $$ Anisole, p-pentyl- $$ 4-Pentylanisole $$ Methyl p-pentylphenyl ether $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
40 51 65 77 91
121
178
(CH2)4Me
OMe
Hit#:2 Entry:128447 Library:WILEY7.LIBSI:89 Formula:C14 H14 N2 O CAS:69244-84-4 MolWeight:226 RetIndex:0CompName:2-BUTYLIDENMALONONITRILE, 4-(P-ANISYL)- $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 51 6578 91 106
121
127 140 226
Hit#:3 Entry:69484 Library:WILEY7.LIBSI:87 Formula:C12 H18 O CAS:20056-58-0 MolWeight:178 RetIndex:0CompName:Benzene, 1-methoxy-4-pentyl- (CAS) P-N-AMYLANISOLE $$ p-Pentylanisole $$ Anisole, p-pentyl- $$ 4-Pentylanisole $$ Methyl p-pentylphenyl ether $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
40 51 65 77 91105
121
134 147178
(CH2)4Me
OMe
Hit#:4 Entry:71080 Library:WILEY7.LIBSI:87 Formula:C11 H16 O2 CAS:0-0-0 MolWeight:180 RetIndex:0CompName:Benzenepropanol, 4-methoxy-.beta.-methyl- $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
31 51 65 77 91 103
121
147180182
Hit#:5 Entry:39774 Library:WILEY7.LIBSI:87 Formula:C9 H12 O2 CAS:702-23-8 MolWeight:152 RetIndex:0CompName:ETHANOL, 2-(P-METHOXYPHENYL)- $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 51 6577 91 106
121
134
152
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
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<< Target >>Line#:23 R.Time:20.850(Scan#:2359) MassPeaks:57 RawMode:Single 20.850(2359) BasePeak:205.05(73995)BG Mode:Peak Start 20.575(2326)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4155
57
81 91 105 115 131145
161177
189
205
220
Hit#:1 Entry:121010 Library:WILEY7.LIBSI:95 Formula:C15 H24 O CAS:128-37-0 MolWeight:220 RetIndex:0CompName:Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl- (CAS) 4-Methyl-2,6-di-tert-butylphenol $$ BHT $$ P 21 $$ CAO 3 $$ AO 29 $$ CAO 1 $$ AO 4K $$ DBPC $$ P 21 $ $$ 2,6-DI-TERT-4-METHYLPHENOL $$ Buks $$ Ional $$ Ionole $$ Deenax $$ Dalpac $$ Stavox $$ Vian100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4155
57
81 91 105 119 131145
161 177 189
205
220
Bu-t
OH
Me
t-Bu
Hit#:2 Entry:120448 Library:WILEY7.LIBSI:94 Formula:C15 H24 O CAS:128-37-0 MolWeight:220 RetIndex:0CompName:BUTYL HYDROXY TOLUENE $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41 55
57
81 91 105 115 131
145
161177
189
205
220
Bu-t
OH
Me
t-Bu
Hit#:3 Entry:121001 Library:WILEY7.LIBSI:93 Formula:C15 H24 O CAS:128-37-0 MolWeight:220 RetIndex:0CompName:Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl- (CAS) 4-Methyl-2,6-di-tert-butylphenol $$ BHT $$ P 21 $$ CAO 3 $$ AO 29 $$ CAO 1 $$ AO 4K $$ DBPC $$ P 21 $ $$ 2,6-DI-TERT-4-METHYLPHENOL $$ Buks $$ Ional $$ Ionole $$ Deenax $$ Dalpac $$ Stavox $$ Vian100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4155
57
81 91 105 115 131145
161 177 189
205
220
Bu-t
OH
Me
t-Bu
Hit#:4 Entry:120998 Library:WILEY7.LIBSI:93 Formula:C15 H24 O CAS:128-37-0 MolWeight:220 RetIndex:0CompName:Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl- (CAS) 4-Methyl-2,6-di-tert-butylphenol $$ BHT $$ P 21 $$ CAO 3 $$ AO 29 $$ CAO 1 $$ AO 4K $$ DBPC $$ P 21 $ $$ 2,6-DI-TERT-4-METHYLPHENOL $$ Buks $$ Ional $$ Ionole $$ Deenax $$ Dalpac $$ Stavox $$ Vian100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41 55
57
81 91 105 119 131145
161177
189
205
220
Bu-t
OH
Me
t-Bu
Hit#:5 Entry:121000 Library:WILEY7.LIBSI:92 Formula:C15 H24 O CAS:128-37-0 MolWeight:220 RetIndex:0CompName:Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl- (CAS) 4-Methyl-2,6-di-tert-butylphenol $$ BHT $$ P 21 $$ CAO 3 $$ AO 29 $$ CAO 1 $$ AO 4K $$ DBPC $$ P 21 $ $$ 2,6-DI-TERT-4-METHYLPHENOL $$ Buks $$ Ional $$ Ionole $$ Deenax $$ Dalpac $$ Stavox $$ Vian100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4155
57
81 91 105 121 131145
161177
189
205
220
Bu-t
OH
Me
t-Bu
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
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<< Target >>Line#:24 R.Time:23.975(Scan#:2734) MassPeaks:30 RawMode:Single 23.975(2734) BasePeak:127.05(129012)BG Mode:Peak Start 23.875(2722)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3943 63 77
87 101 115
127
141
155
170
Hit#:1 Entry:61320 Library:WILEY7.LIBSI:93 Formula:C12 H10 O CAS:93-8-3 MolWeight:170 RetIndex:0CompName:Ethanone, 1-(2-naphthalenyl)- (CAS) 2'-Acetonaphthone $$ 2-Acetylnaphthalene $$ .beta.-Acetonaphthone $$ .beta.-Acetylnaphthalene $$ Methyl 2-naphthyl ketone $$ 2-Naphthyl methyl ketone $$ 1-(2-Naphthalenyl)ethanone $$ Methyl .beta.-naphthyl keton100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
43 63 7787
101 115
127
141
155
170
Ac
Hit#:2 Entry:60731 Library:WILEY7.LIBSI:93 Formula:C12 H10 O CAS:1333-52-4 MolWeight:170 RetIndex:0CompName:Ethanone, 1-naphthalenyl- $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
43 63 7785 101 115
127
141
155
170
Hit#:3 Entry:61316 Library:WILEY7.LIBSI:93 Formula:C12 H10 O CAS:941-98-0 MolWeight:170 RetIndex:0CompName:Ethanone, 1-(1-naphthalenyl)- (CAS) 1'-Acetonaphthone $$ 1-Acetonaphthone $$ 1-Acetonaphthalene $$ 1-Acetylnaphthalene $$ .alpha.-Acetonaphthone $$ Methyl 1-naphthyl ketone $$ .alpha.-Acetylnaphthalene $$ 1-Naphthyl methyl ketonel $$ 1-(1-Naphthal100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
43 63 7785 101 115
127
141
155
170
Ac
Hit#:4 Entry:61317 Library:WILEY7.LIBSI:91 Formula:C12 H10 O CAS:941-98-0 MolWeight:170 RetIndex:0CompName:Ethanone, 1-(1-naphthalenyl)- (CAS) 1'-Acetonaphthone $$ 1-Acetonaphthone $$ 1-Acetonaphthalene $$ 1-Acetylnaphthalene $$ .alpha.-Acetonaphthone $$ Methyl 1-naphthyl ketone $$ .alpha.-Acetylnaphthalene $$ 1-Naphthyl methyl ketonel $$ 1-(1-Naphthal100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3943 63 77
87 101 115
127
141
155
170
Ac
Hit#:5 Entry:61315 Library:WILEY7.LIBSI:88 Formula:C12 H10 O CAS:941-98-0 MolWeight:170 RetIndex:0CompName:Ethanone, 1-(1-naphthalenyl)- (CAS) 1'-Acetonaphthone $$ 1-Acetonaphthone $$ 1-Acetonaphthalene $$ 1-Acetylnaphthalene $$ .alpha.-Acetonaphthone $$ Methyl 1-naphthyl ketone $$ .alpha.-Acetylnaphthalene $$ 1-Naphthyl methyl ketonel $$ 1-(1-Naphthal100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3943 63 77 85 101 115
127
141
155
170
Ac
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
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<< Target >>Line#:25 R.Time:24.500(Scan#:2797) MassPeaks:55 RawMode:Single 24.500(2797) BasePeak:83.00(58675)BG Mode:Peak Start 24.425(2788)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41 5559
83
96 109 123 135153
Hit#:1 Entry:129057 Library:WILEY7.LIBSI:91 Formula:C13 H22 O3 CAS:24851-98-7 MolWeight:226 RetIndex:0CompName:Dihydro methyl jasmonate $$ METHYLDIHYDROJASMONATE $$ Methyl dihydrojasmonate $$ Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41 5567
83
96 109 123 137
153
169 195 226
Hit#:2 Entry:128258 Library:WILEY7.LIBSI:91 Formula:C13 H22 O3 CAS:24851-98-7 MolWeight:226 RetIndex:0CompName:TRANS-METHYL DIHYDROJASMONATE $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4155
67
83
96 109 137
153
Hit#:3 Entry:129058 Library:WILEY7.LIBSI:91 Formula:C13 H22 O3 CAS:24851-98-7 MolWeight:226 RetIndex:0CompName:Dihydro methyl jasmonate $$ METHYLDIHYDROJASMONATE $$ Methyl dihydrojasmonate $$ Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41 5567
83
96 109 123 135
153
195
Hit#:4 Entry:45477 Library:WILEY7.LIBSI:82 Formula:C10 H20 O CAS:18479-52-2 MolWeight:156 RetIndex:0CompName:ISOCITRONELLOL $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
55
67
83
84100 123 138 156
Hit#:5 Entry:90649 Library:WILEY7.LIBSI:77 Formula:C14 H28 CAS:0-0-0 MolWeight:196 RetIndex:0CompName:3,4-DIISOPROPYL-2,5-DIMETHYL-3-HEXENE $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41 69
83
97123 137 153 196
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
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<< Target >>Line#:26 R.Time:26.992(Scan#:3096) MassPeaks:82 RawMode:Single 26.992(3096) BasePeak:129.05(2619249)BG Mode:Peak Start 26.525(3040)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4165
82
91
104
117
129
145
159 174185
216
Hit#:1 Entry:115361 Library:WILEY7.LIBSI:96 Formula:C15 H20 O CAS:101-86-0 MolWeight:216 RetIndex:0CompName:.ALPHA. HEXYLCINNAMIC ALDEHYDE $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
65 82
91
104
117
129
145
159 173
216
CH C(CHO) (CH2)5Me
Hit#:2 Entry:115771 Library:WILEY7.LIBSI:94 Formula:C15 H20 O CAS:101-86-0 MolWeight:216 RetIndex:0CompName:Octanal, 2-(phenylmethylene)- (CAS) Hexyl cinnamic aldehyde $$ .alpha.-Hexylcinnamaldehyde $$ Cinnamaldehyde, .alpha.-hexyl- $$ .alpha.-Hexylcinnamic aldehyde $$ .alpha.-n-Hexyl-.beta.-phenylacrolein $$ 2-Hexyl-3-phenyl-2-propenal $$ Cinnamaldehyd100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4165 77
91
104
115 129
145
159 173215
CH C(CHO) (CH2)5Me
Hit#:3 Entry:115772 Library:WILEY7.LIBSI:92 Formula:C15 H20 O CAS:101-86-0 MolWeight:216 RetIndex:0CompName:Octanal, 2-(phenylmethylene)- (CAS) Hexyl cinnamic aldehyde $$ .alpha.-Hexylcinnamaldehyde $$ Cinnamaldehyde, .alpha.-hexyl- $$ .alpha.-Hexylcinnamic aldehyde $$ .alpha.-n-Hexyl-.beta.-phenylacrolein $$ 2-Hexyl-3-phenyl-2-propenal $$ Cinnamaldehyd100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
5155 65 77
91
104
117
129
145
159 173185
216
CH C(CHO) (CH2)5Me
Hit#:4 Entry:115768 Library:WILEY7.LIBSI:92 Formula:C15 H20 O CAS:101-86-0 MolWeight:216 RetIndex:0CompName:Octanal, 2-(phenylmethylene)- (CAS) Hexyl cinnamic aldehyde $$ .alpha.-Hexylcinnamaldehyde $$ Cinnamaldehyde, .alpha.-hexyl- $$ .alpha.-Hexylcinnamic aldehyde $$ .alpha.-n-Hexyl-.beta.-phenylacrolein $$ 2-Hexyl-3-phenyl-2-propenal $$ Cinnamaldehyd100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4165
77
91
104
117 129
145
159 173
216CH C(CHO) (CH2)5Me
Hit#:5 Entry:115360 Library:WILEY7.LIBSI:92 Formula:C15 H20 O CAS:101-86-0 MolWeight:216 RetIndex:0CompName:.ALPHA.-HEXYL-CINNAMALDEHYDE $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
5155 65 77
91
104
117
129
145
159 173185
216
CH C(CHO) (CH2)5Me
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
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<< Target >>Line#:27 R.Time:27.292(Scan#:3132) MassPeaks:82 RawMode:Single 27.292(3132) BasePeak:129.05(614471)BG Mode:Peak Start 27.175(3118)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4165 77
91
105
117 129
145
159 173185
216
Hit#:1 Entry:115361 Library:WILEY7.LIBSI:97 Formula:C15 H20 O CAS:101-86-0 MolWeight:216 RetIndex:0CompName:.ALPHA. HEXYLCINNAMIC ALDEHYDE $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
65 82
91
104
117
129
145
159 173
216
CH C(CHO) (CH2)5Me
Hit#:2 Entry:115771 Library:WILEY7.LIBSI:96 Formula:C15 H20 O CAS:101-86-0 MolWeight:216 RetIndex:0CompName:Octanal, 2-(phenylmethylene)- (CAS) Hexyl cinnamic aldehyde $$ .alpha.-Hexylcinnamaldehyde $$ Cinnamaldehyde, .alpha.-hexyl- $$ .alpha.-Hexylcinnamic aldehyde $$ .alpha.-n-Hexyl-.beta.-phenylacrolein $$ 2-Hexyl-3-phenyl-2-propenal $$ Cinnamaldehyd100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4165 77
91
104
115 129
145
159 173215
CH C(CHO) (CH2)5Me
Hit#:3 Entry:115769 Library:WILEY7.LIBSI:94 Formula:C15 H20 O CAS:101-86-0 MolWeight:216 RetIndex:0CompName:Octanal, 2-(phenylmethylene)- (CAS) Hexyl cinnamic aldehyde $$ .alpha.-Hexylcinnamaldehyde $$ Cinnamaldehyde, .alpha.-hexyl- $$ .alpha.-Hexylcinnamic aldehyde $$ .alpha.-n-Hexyl-.beta.-phenylacrolein $$ 2-Hexyl-3-phenyl-2-propenal $$ Cinnamaldehyd100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3943
65 83
91
104
117 129
145
159 173
216 CH C(CHO) (CH2)5Me
Hit#:4 Entry:115768 Library:WILEY7.LIBSI:93 Formula:C15 H20 O CAS:101-86-0 MolWeight:216 RetIndex:0CompName:Octanal, 2-(phenylmethylene)- (CAS) Hexyl cinnamic aldehyde $$ .alpha.-Hexylcinnamaldehyde $$ Cinnamaldehyde, .alpha.-hexyl- $$ .alpha.-Hexylcinnamic aldehyde $$ .alpha.-n-Hexyl-.beta.-phenylacrolein $$ 2-Hexyl-3-phenyl-2-propenal $$ Cinnamaldehyd100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4165
77
91
104
117 129
145
159 173
216CH C(CHO) (CH2)5Me
Hit#:5 Entry:115772 Library:WILEY7.LIBSI:92 Formula:C15 H20 O CAS:101-86-0 MolWeight:216 RetIndex:0CompName:Octanal, 2-(phenylmethylene)- (CAS) Hexyl cinnamic aldehyde $$ .alpha.-Hexylcinnamaldehyde $$ Cinnamaldehyde, .alpha.-hexyl- $$ .alpha.-Hexylcinnamic aldehyde $$ .alpha.-n-Hexyl-.beta.-phenylacrolein $$ 2-Hexyl-3-phenyl-2-propenal $$ Cinnamaldehyd100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
5155 65 77
91
104
117
129
145
159 173185
216
CH C(CHO) (CH2)5Me
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
28 / 29
<< Target >>Line#:28 R.Time:29.717(Scan#:3423) MassPeaks:13 RawMode:Single 29.717(3423) BasePeak:91.05(1452087)BG Mode:Peak Start 29.600(3409)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 5165
77
91
121 228
Hit#:1 Entry:131430 Library:WILEY7.LIBSI:96 Formula:C14 H12 O3 CAS:118-58-1 MolWeight:228 RetIndex:0CompName:Benzoic acid, 2-hydroxy-, phenylmethyl ester (CAS) Benzyl salicylate $$ Benzyl o-hydroxybenzoate $$ Salicyclic acid benzyl ester $$ Salicylic acid, benzyl ester $$ benzyl 2-hydroxybenzoate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 5165
77
91
105 121 228
C(O)OCH2
OH
Hit#:2 Entry:131431 Library:WILEY7.LIBSI:95 Formula:C14 H12 O3 CAS:118-58-1 MolWeight:228 RetIndex:0CompName:Benzoic acid, 2-hydroxy-, phenylmethyl ester (CAS) Benzyl salicylate $$ Benzyl o-hydroxybenzoate $$ Salicyclic acid benzyl ester $$ Salicylic acid, benzyl ester $$ benzyl 2-hydroxybenzoate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 65
91
121 228
C(O)OCH2
OH
Hit#:3 Entry:131427 Library:WILEY7.LIBSI:93 Formula:C14 H12 O3 CAS:118-58-1 MolWeight:228 RetIndex:0CompName:Benzoic acid, 2-hydroxy-, phenylmethyl ester (CAS) Benzyl salicylate $$ Benzyl o-hydroxybenzoate $$ Salicyclic acid benzyl ester $$ Salicylic acid, benzyl ester $$ benzyl 2-hydroxybenzoate $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
39 5165
77
91
105 121 150 165 210228
C(O)OCH2
OH
Hit#:4 Entry:36026 Library:WILEY7.LIBSI:92 Formula:C10 H12 O CAS:15895-87-1 MolWeight:148 RetIndex:0CompName:benzyl prop-1-enyl ether $$ Benzene, [(1-propenyloxy)methyl]- (CAS) Ether, benzyl propenyl (CAS) Benzyl propenyl ether $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
3965
91
Hit#:5 Entry:133775 Library:WILEY7.LIBSI:91 Formula:C14 H14 O S CAS:621-8-9 MolWeight:230 RetIndex:0CompName:Benzene, 1,1'-[sulfinylbis(methylene)]bis- (CAS) Dibenzyl sulfoxide $$ Tardiol D $$ Benzyl sulfoxide $$ Benzyl sulphoxide $$ dibenzyl sulphoxide $$ Sulfoxide, dibenzyl $$ DIBENZYLSULFOXID $$ Bis(phenylmethyl) sulfoxide $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
5165
91
230
CH2
S(O)
CH2
C:\GCMSsolution\Data\Feb 09\Apriyani Jasmine.qgd 3/6/2009
29 / 29
<< Target >>Line#:29 R.Time:30.750(Scan#:3547) MassPeaks:34 RawMode:Single 30.750(3547) BasePeak:71.00(22490)BG Mode:Peak Start 30.650(3535)100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4143
57
71
95 109 123 137 152
Hit#:1 Entry:207911 Library:WILEY7.LIBSI:90 Formula:C20 H40 O CAS:505-32-8 MolWeight:296 RetIndex:0CompName:Isophytol $$ 1-Hexadecen-3-ol, 3,7,11,15-tetramethyl- $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41 57
71
95 109 123137 179 194 278
Hit#:2 Entry:20590 Library:WILEY7.LIBSI:85 Formula:C8 H16 O CAS:5441-52-1 MolWeight:128 RetIndex:0CompName:Cyclohexanol, 3,5-dimethyl- (CAS) 3,5-Dimethylcyclohexanol $$ 3,5-Dimethylcyclohexanol,c&t $$ 3,5-DIMETHYL-CYCLOHEXANOL $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41 5569
71
95
110127
OH
MeMe
Hit#:3 Entry:133812 Library:WILEY7.LIBSI:84 Formula:C14 H30 O2 CAS:14620-52-1 MolWeight:230 RetIndex:0CompName:Dodecane, 1,1-dimethoxy- (CAS) 1,1-Dimethoxydodecane $$ Laural dimethyl acetal $$ Dodecanal dimethyl acetal $$ Lauraldehyde, dimethyl acetal $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41
43 68
71
96 109 127 141 166 197
(CH2)10Me(MeO) 2CH
Hit#:4 Entry:197674 Library:WILEY7.LIBSI:84 Formula:C18 H38 O2 CAS:2791-29-9 MolWeight:286 RetIndex:0CompName:Hexadecane, 1,1-dimethoxy- (CAS) Hexadecanal dimethyl acetal $$ Palmitaldehyde dimethyl acetal $$ Palmitaldehyde, dimethyl acetal $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
4368
71
96109 123 222 254
(CH2)14Me(MeO) 2CH
Hit#:5 Entry:20580 Library:WILEY7.LIBSI:84 Formula:C8 H16 O CAS:3809-32-3 MolWeight:128 RetIndex:0CompName:2,5-Dimethylcyclohexanol $$ Cyclohexanol, 2,5-dimethyl- $$ 100
30 50 70 90 110 130 150 170 190 210 230 250 270 290
41 55
71
95110
128
