contoh data gc-ms
TRANSCRIPT
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C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
Library>Line#:1 R.Time:3.190(Scan#:39) MassPeaks:247 RawMode:Averaged 3.185-3.195(38-40) BasePeak:39.00(4372)BG Mode:Calc. from Peak Group 1 - Event 1
100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 46035
39
42 6781
96
98 113 131 149 162 179 198 215 247 274 300 322 341 359 372 398 421 442 457 473 484 495
Hit#:1 Entry:5251 Library:WILEY7.LIBSI:95 Formula:C5 H4 O2 CAS:98-01-1 MolWeight:96 RetIndex:0CompName:2-Furancarboxaldehyde (CAS) Furfural $$ 2-Furaldehyde $$ Fural $$ Furole $$ Furale $$ Furfurole $$ 2-Furfural $$ Furaldehyde $$ Furancarbonal $$ 2-Formylfuran $$ .alpha.-Furole $$ Furfuraldehyde $$ 2-Furancarbonal $$ 2-Furanaldehyde $$ Furfurylaldehyde $$ 2-Furfuraldehyde $$ Artificial ant oil $$ Pyromucic aldehyde $$ 2-Furylaldehyde xypropane $$ 2-Furylaldehyde $$ 2-Furylcarboxaldehyde $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
26
39
42 6781
96
98
O CH O
Hit#:2 Entry:1353 Library:NIST27.LIBSI:94 Formula:C5H4O2 CAS:98-01-1 MolWeight:96 RetIndex:0CompName:Furfural100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
13 26
39
42 67
96
98
O O
Hit#:3 Entry:5250 Library:WILEY7.LIBSI:94 Formula:C5 H4 O2 CAS:98-01-1 MolWeight:96 RetIndex:0CompName:2-Furancarboxaldehyde (CAS) Furfural $$ 2-Furaldehyde $$ Fural $$ Furole $$ Furale $$ Furfurole $$ 2-Furfural $$ Furaldehyde $$ Furancarbonal $$ 2-Formylfuran $$ .alpha.-Furole $$ Furfuraldehyde $$ 2-Furancarbonal $$ 2-Furanaldehyde $$ Furfurylaldehyde $$ 2-Furfuraldehyde $$ Artificial ant oil $$ Pyromucic aldehyde $$ 2-Furylaldehyde xypropane $$ 2-Furylaldehyde $$ 2-Furylcarboxaldehyde $$ Furfurol $$ Furol $$ 2-Furylmethanal $$ Artificial oil of ants $$ Furfurale $$ Nci-C56177 $$ 2-Furil-metanale $$ 2-Fur100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
13 26
39
42 67
96
98
O CH O
Hit#:4 Entry:5263 Library:WILEY7.LIBSI:93 Formula:C5 H4 O2 CAS:98-01-1 MolWeight:96 RetIndex:0CompName:2-Furancarboxaldehyde (CAS) Furfural $$ 2-Furaldehyde $$ Fural $$ Furole $$ Furale $$ Furfurole $$ 2-Furfural $$ Furaldehyde $$ Furancarbonal $$ 2-Formylfuran $$ .alpha.-Furole $$ Furfuraldehyde $$ 2-Furancarbonal $$ 2-Furanaldehyde $$ Furfurylaldehyde $$ 2-Furfuraldehyde $$ Artificial ant oil $$ Pyromucic aldehyde $$ 2-Furylaldehyde xypropane $$ 2-Furylaldehyde $$ 2-Furylcarboxaldehyde $$ Furfurol $$ Furol $$ 2-Furylmethanal $$ Artificial oil of ants $$ Furfurale $$ Nci-C56177 $$ 2-Furil-metanale $$ 2-Fur100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
36
39
42 67
96
98
O CH O
Hit#:5 Entry:5119 Library:WILEY7.LIBSI:93 Formula:C5 H4 O2 CAS:498-60-2 MolWeight:96 RetIndex:0CompName:3-Furaldehyde $$ 3-Furancarboxaldehyde $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
36
39
5067
79
95
98
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C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:2 R.Time:5.275(Scan#:456) MassPeaks:263 RawMode:Averaged 5.270-5.280(455-457) BasePeak:93.10(5486)BG Mode:Calc. from Peak Group 1 - Event 1
100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 49037
39
51 65
77
93
105 121 136 149 164 175 191201 216 234 251 276 305 319 348 377 403 427 453 473 487
Hit#:1 Entry:6375 Library:NIST27.LIBSI:93 Formula:C10H16 CAS:99-83-2 MolWeight:136 RetIndex:0CompName:.alpha.-Phellandrene100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27 39 51 65
77
93
105 119136
Hit#:2 Entry:25509 Library:WILEY7.LIBSI:93 Formula:C10 H16 CAS:1529-99-3 MolWeight:136 RetIndex:0CompName:.ALPHA. PHELLANDRENE $$ 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 4903739 51 65
77
93
105 121
136
Hit#:3 Entry:9521 Library:NIST147.LIBSI:92 Formula:C10H16 CAS:2867-05-2 MolWeight:136 RetIndex:0CompName:Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)- $$ 3-Thujene $$ .alpha.-Thujene $$ Origanene $$ 5-Isopropyl-2-methylbicyclo[3.1.0]hex-2-ene # $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27 4165
77
93
105 121 136
Hit#:4 Entry:26413 Library:WILEY7.LIBSI:92 Formula:C10 H16 CAS:2867-05-2 MolWeight:136 RetIndex:0CompName:.alpha.-Thujene $$ Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)- (CAS) Origanene $$ 3-Thujene $$ ALPHA-THUJENE $$ ALFA-THUJENE $$ ALPHA-THUJEN $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27 4165
77
93
105 121 136
Pr-i
Me
Hit#:5 Entry:26249 Library:WILEY7.LIBSI:92 Formula:C10 H16 CAS:99-83-2 MolWeight:136 RetIndex:0CompName:l-Phellandrene $$ 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)- (CAS) p-Mentha-1,5-diene $$ .alpha.-Fellandrene $$ .alpha.-Phellandrene $$ p-Menthadiene ((-)-) $$ 5-Isopropyl-2-methyl-1,3-cyclohexadiene $$ ALPHA-PHELLANDRENE $$ 2-Methyl-5-isopropyl-1,3-cyclohexadiene $$ PARA-MENTA-1,5-DIENE $$ A-PHELLANDRENE $$ 2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene $$ 4-Isopropyl-1-methyl-1,5-cyclohexadiene $$ ALPHA-PHELLANDREN $$ Menthadiene $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 4903739
51 65
77
93
105 121
136
Pr-i
Me
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C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:3 R.Time:5.540(Scan#:509) MassPeaks:293 RawMode:Averaged 5.535-5.545(508-510) BasePeak:93.05(83568)BG Mode:Calc. from Peak Group 1 - Event 1
100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 49035
39
53 67
77
93
105 121136 155 175 195 206 223 247 259 272 290 303 317 331 352 375 402 418428 444 468 486 500
Hit#:1 Entry:9504 Library:NIST147.LIBSI:97 Formula:C10H16 CAS:2437-95-8 MolWeight:136 RetIndex:0CompName:Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (.+/-.)- $$ 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane # $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
2739
53 67
77
93
105 121 136
Hit#:2 Entry:6307 Library:NIST27.LIBSI:95 Formula:C10H16 CAS:3779-61-1 MolWeight:136 RetIndex:0CompName:1,3,6-Octatriene, 3,7-dimethyl-, (E)-100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
27
4153
67
79
93
105 121136
Hit#:3 Entry:6314 Library:NIST27.LIBSI:95 Formula:C10H16 CAS:7785-26-4 MolWeight:136 RetIndex:0CompName:(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
2739
5367
77
93
105 121
Hit#:4 Entry:26174 Library:WILEY7.LIBSI:95 Formula:C10 H16 CAS:6874-10-8 MolWeight:136 RetIndex:0CompName:cis-Ocimene $$ 1,3,7-Octatriene, 3,7-dimethyl-, (E)- (CAS) trans-.alpha.-Ocimene $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
38
4153 67
79
93
105 121136
Hit#:5 Entry:26152 Library:WILEY7.LIBSI:94 Formula:C10 H16 CAS:3338-55-4 MolWeight:136 RetIndex:0CompName:1,3,6-Octatriene, 3,7-dimethyl-, (Z)- (CAS) cis-3,7-Dimethyl-1,3,6-octatriene $$ .BETA. OCIMENE X $$ Z-Ocimene $$ .beta.-cis-Ocimene $$ cis-.beta.-Ocimene $$ Ocimene, cis-.beta.- $$ cis-Ocimene $$ (Z)-.beta.-Ocimene $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
38
41
5367
79
93
105119
CHCH2CH CMe 2CMeCHH2C
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C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:4 R.Time:5.850(Scan#:571) MassPeaks:250 RawMode:Averaged 5.845-5.855(570-572) BasePeak:79.05(561)BG Mode:Calc. from Peak Group 1 - Event 1
100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 49035
41
53 69
7993
108 121 136
153 177 204 231 249 267 281 294 316 335 356 370 400 414 433 451 473 486
Hit#:1 Entry:6311 Library:NIST27.LIBSI:85 Formula:C10H16 CAS:471-84-1 MolWeight:136 RetIndex:0CompName:Bicyclo[2.2.1]heptane, 7,7-dimethyl-2-methylene-100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27
41
53 67
79
93
107121
136
Hit#:2 Entry:6309 Library:NIST27.LIBSI:83 Formula:C10H16 CAS:471-84-1 MolWeight:136 RetIndex:0CompName:Bicyclo[2.2.1]heptane, 7,7-dimethyl-2-methylene-100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27
41
53 69
79
93
107121
136
Hit#:3 Entry:26387 Library:WILEY7.LIBSI:83 Formula:C10 H16 CAS:471-84-1 MolWeight:136 RetIndex:0CompName:.alpha.-Fenchene $$ Bicyclo[2.2.1]heptane, 7,7-dimethyl-2-methylene- (CAS) Fenchene $$ 7,7-Dimethyl-2-methylenenorbornane $$ Norbornane, 7,7-dimethyl-2-methylene- $$ ALPHA-FENCHEN $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27
41
53 69
79
93
107121
136
CH2
Me
Me
Hit#:4 Entry:25468 Library:WILEY7.LIBSI:82 Formula:C10 H16 CAS:5794-03-6 MolWeight:136 RetIndex:0CompName:Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-, (1R)- $$ Camphene, (1R,4S)-(+)- $$ (+)-Camphene $$ d-Camphene $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27
41
53 67
7993
107121
136
MeMe
CH2
Hit#:5 Entry:9591 Library:NIST147.LIBSI:82 Formula:C10H16 CAS:5794-03-6 MolWeight:136 RetIndex:0CompName:Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-, (1R)- $$ Camphene, (1R,4S)-(+)- $$ (+)-Camphene $$ d-Camphene $$ 2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane # $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27
41
53 67
7993
107121
136
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C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:5 R.Time:5.915(Scan#:584) MassPeaks:248 RawMode:Averaged 5.910-5.920(583-585) BasePeak:93.05(15860)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 47036
41
53
6779
93
107
121
136149 173 192 222232 248 262 277 299 318 335345 361 375 388 400410 425 446 466 477 494
Hit#:1 Entry:9497 Library:NIST147.LIBSI:96 Formula:C10H16 CAS:79-92-5 MolWeight:136 RetIndex:0CompName:Camphene $$ Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene- $$ 2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane $$ 2,2-Dimethyl-3-methylenenorbornane $$ 3,3-Dimethyl-2-methylenenorbornane $$ 3,3-Dimethyl-2-methylenenorcamphane $$ NA 9011 $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
2739
5367
79
93
107
121
136
Hit#:2 Entry:26393 Library:WILEY7.LIBSI:96 Formula:C10 H16 CAS:79-92-5 MolWeight:136 RetIndex:0CompName:Camphene $$ Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene- (CAS) 3,3-Dimethyl-2-methylenenorbornane $$ 2,2-Dimethyl-3-methylenenorbornane $$ 3,3-Dimethyl-2-methylenenorcamphane $$ 2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane $$ NA 9011 $$ CAMPHEN $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
38
3953
6779
93
107
121
136
MeMe
CH2
Hit#:3 Entry:26400 Library:WILEY7.LIBSI:96 Formula:C10 H16 CAS:79-92-5 MolWeight:136 RetIndex:0CompName:Camphene $$ Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene- (CAS) 3,3-Dimethyl-2-methylenenorbornane $$ 2,2-Dimethyl-3-methylenenorbornane $$ 3,3-Dimethyl-2-methylenenorcamphane $$ 2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane $$ NA 9011 $$ CAMPHEN $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
38
41
53
6779
93
107
121
136
MeMe
CH2
Hit#:4 Entry:6317 Library:NIST27.LIBSI:95 Formula:C10H16 CAS:79-92-5 MolWeight:136 RetIndex:0CompName:Camphene100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
53
6779
93
107
121
136
Hit#:5 Entry:26395 Library:WILEY7.LIBSI:95 Formula:C10 H16 CAS:79-92-5 MolWeight:136 RetIndex:0CompName:Camphene $$ Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene- (CAS) 3,3-Dimethyl-2-methylenenorbornane $$ 2,2-Dimethyl-3-methylenenorbornane $$ 3,3-Dimethyl-2-methylenenorcamphane $$ 2,2-Dimethyl-3-methylenebicyclo[2.2.1]heptane $$ NA 9011 $$ CAMPHEN $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
53
6779
93
107
121
136
MeMe
CH2
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C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:6 R.Time:6.210(Scan#:643) MassPeaks:257 RawMode:Averaged 6.205-6.215(642-644) BasePeak:110.00(531)BG Mode:Calc. from Peak Group 1 - Event 1
100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
36
39
53
6181
110
114 128 142 159 177 193 212 234 261 275 295 316 329 342 356 370 390 409 425 441 455 475
Hit#:1 Entry:10137 Library:WILEY7.LIBSI:82 Formula:C6 H6 O2 CAS:620-02-0 MolWeight:110 RetIndex:0CompName:2-Furancarboxaldehyde, 5-methyl- (CAS) 5-Methyl-2-furfural $$ 5-METHYLFURAN-2-ALDEHYDE $$ 5-Methylfurfural $$ Furfural, 5-methyl- $$ 5-Methylfurfuraldehyde $$ 2-Methyl-5-formylfuran $$ 5-Methyl-2-furaldehyde $$ 2-Formyl-5-methylfuran $$ 2-Furaldehyde, 5-methyl- $$ 5-Methyl-2-furancarboxaldehyde $$ 5-Methylfurfurol $$ 2-FURANCARBOXALDEHYDE,-5-METHYL $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
27
39
53
6181
95
110
112
OCH O
Me
Hit#:2 Entry:10179 Library:WILEY7.LIBSI:82 Formula:C6 H6 O2 CAS:620-02-0 MolWeight:110 RetIndex:0CompName:5-methyl furfural $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 46024
27
39
53
6981
95
110
112
OCH O
Me
Hit#:3 Entry:10132 Library:WILEY7.LIBSI:81 Formula:C6 H6 O2 CAS:620-02-0 MolWeight:110 RetIndex:0CompName:2-Furancarboxaldehyde, 5-methyl- (CAS) 5-Methyl-2-furfural $$ 5-METHYLFURAN-2-ALDEHYDE $$ 5-Methylfurfural $$ Furfural, 5-methyl- $$ 5-Methylfurfuraldehyde $$ 2-Methyl-5-formylfuran $$ 5-Methyl-2-furaldehyde $$ 2-Formyl-5-methylfuran $$ 2-Furaldehyde, 5-methyl- $$ 5-Methyl-2-furancarboxaldehyde $$ 5-Methylfurfurol $$ 2-FURANCARBOXALDEHYDE,-5-METHYL $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
17
27
29
53
6181
95
110
112
OCH O
Me
Hit#:4 Entry:10136 Library:WILEY7.LIBSI:79 Formula:C6 H6 O2 CAS:620-02-0 MolWeight:110 RetIndex:0CompName:2-Furancarboxaldehyde, 5-methyl- (CAS) 5-Methyl-2-furfural $$ 5-METHYLFURAN-2-ALDEHYDE $$ 5-Methylfurfural $$ Furfural, 5-methyl- $$ 5-Methylfurfuraldehyde $$ 2-Methyl-5-formylfuran $$ 5-Methyl-2-furaldehyde $$ 2-Formyl-5-methylfuran $$ 2-Furaldehyde, 5-methyl- $$ 5-Methyl-2-furancarboxaldehyde $$ 5-Methylfurfurol $$ 2-FURANCARBOXALDEHYDE,-5-METHYL $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 46025
27
39
53
6481 95
110
OCH O
Me
Hit#:5 Entry:2601 Library:NIST27.LIBSI:79 Formula:C6H6O2 CAS:620-02-0 MolWeight:110 RetIndex:0CompName:2-Furancarboxaldehyde, 5-methyl-100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460
13
27
39
53
6181
95
110
112
O
O
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C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:7 R.Time:6.775(Scan#:756) MassPeaks:257 RawMode:Averaged 6.770-6.780(755-757) BasePeak:93.05(63390)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 47037
41
53 65
77
93
105 121136
150 181 195 213 231 249 269 287 298 315 334 352 371 391 409 427 449 463 476 490
Hit#:1 Entry:26430 Library:WILEY7.LIBSI:94 Formula:C10 H16 CAS:3387-41-5 MolWeight:136 RetIndex:0CompName:Sabinene $$ Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)- (CAS) 4(10)-Thujene $$ Sabinen $$ (+)-Sabinene $$ THUJENE, 4(10)- $$ 1-Isopropyl-4-methylenebicyclo[3.1.0]hexane $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
2741
53 69
77
93
107 121136
Pr-i
CH2
Hit#:2 Entry:9478 Library:NIST147.LIBSI:94 Formula:C10H16 CAS:3387-41-5 MolWeight:136 RetIndex:0CompName:Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)- $$ 4(10)-Thujene $$ Sabinen $$ Sabinene $$ (+)-Sabinene $$ THUJENE, 4(10)- $$ 1-Isopropyl-4-methylenebicyclo[3.1.0]hexane $$ Sabenene $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
43 69
77
93
105 121136
Hit#:3 Entry:26423 Library:WILEY7.LIBSI:94 Formula:C10 H16 CAS:3387-41-5 MolWeight:136 RetIndex:0CompName:Sabinene $$ Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)- (CAS) 4(10)-Thujene $$ Sabinen $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
43 69
77
93
105 121136
Pr-i
CH2
Hit#:4 Entry:26358 Library:WILEY7.LIBSI:93 Formula:C10 H16 CAS:555-10-2 MolWeight:136 RetIndex:0CompName:.beta.-Phellandrene $$ Cyclohexene, 3-methylene-6-(1-methylethyl)- (CAS) 3-ISOPROPYL-6-METHYLENE-CYCLOHEXENE, 2-PARA-MENTHADIENE $$ p-Mentha-1(7),2-diene $$ .BETA. PHELLANDRENE $$ .BETA. PHELLADRENE $$ Phellandrene, .beta. $$ BETA-PHELLANDREN $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
37
3951
65
77
93
105 121136
Pr-i
H2C
Hit#:5 Entry:26432 Library:WILEY7.LIBSI:93 Formula:C10 H16 CAS:3387-41-5 MolWeight:136 RetIndex:0CompName:Sabinene $$ Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)- (CAS) 4(10)-Thujene $$ Sabinen $$ (+)-Sabinene $$ THUJENE, 4(10)- $$ 1-Isopropyl-4-methylenebicyclo[3.1.0]hexane $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 47038
4144 65
77
93
105 121136
Pr-i
CH2
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C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:8 R.Time:6.880(Scan#:777) MassPeaks:235 RawMode:Averaged 6.875-6.885(776-778) BasePeak:93.05(60411)BG Mode:Calc. from Peak Group 1 - Event 1
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 49035
41
53
69 79
93
107121
136 148158 175 187 202 219 250 264 277287 301 315 335 347 361 379 392 417 433 461 483
Hit#:1 Entry:9549 Library:NIST147.LIBSI:97 Formula:C10H16 CAS:127-91-3 MolWeight:136 RetIndex:0CompName:.beta.-Pinene $$ Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene- $$ 2(10)-Pinene $$ Nopinen $$ Nopinene $$ Pseudopinen $$ Pseudopinene $$ Terebenthene $$ 6,6-Dimethyl-2-methylene-bicyclo[3.1.1]heptane $$ Pinene $$ PINENE, .beta. $$ 2,2,6-Trimethylbicyclo(3.1.1)hept-2-ene $$ l-.beta.-Pinene $$ .beta.-l-Pinene $$ Terpene hydrocarbon $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27
41
53
6977
93
107121 136
Hit#:2 Entry:26464 Library:WILEY7.LIBSI:96 Formula:C10 H16 CAS:127-91-3 MolWeight:136 RetIndex:0CompName:2-.BETA.-PINENE $$ Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene- (CAS) .beta.-Pinene $$ Nopinen $$ Nopinene $$ Pseudopinen $$ Pseudopinene $$ 2(10)-Pinene $$ Terebenthene $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27
41
53
69
79
93
107121 136
CH2MeMe
Hit#:3 Entry:26467 Library:WILEY7.LIBSI:95 Formula:C10 H16 CAS:127-91-3 MolWeight:136 RetIndex:0CompName:2-.BETA.-PINENE $$ Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene- (CAS) .beta.-Pinene $$ Nopinen $$ Nopinene $$ Pseudopinen $$ Pseudopinene $$ 2(10)-Pinene $$ Terebenthene $$ BETA-PINENE $$ 6,6-Dimethyl-2-methylene-bicyclo[3.1.1]heptane $$ Pinene $$ PINENE, .beta. $$ 2,2,6-Trimethylbicyclo(3.1.1)hept-2-ene $$ l-.beta.-Pinene $$ (+)-BETA-PINEN $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
15
41
53
69
77
93
107 121 136
CH2MeMe
Hit#:4 Entry:26471 Library:WILEY7.LIBSI:95 Formula:C10 H16 CAS:127-91-3 MolWeight:136 RetIndex:0CompName:2-.BETA.-PINENE $$ Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene- (CAS) .beta.-Pinene $$ Nopinen $$ Nopinene $$ Pseudopinen $$ Pseudopinene $$ 2(10)-Pinene $$ Terebenthene $$ BETA-PINENE $$ 6,6-Dimethyl-2-methylene-bicyclo[3.1.1]heptane $$ Pinene $$ PINENE, .beta. $$ 2,2,6-Trimethylbicyclo(3.1.1)hept-2-ene $$ l-.beta.-Pinene $$ (+)-BETA-PINEN $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
38
41
53
69 79
93
107121 136
CH2MeMe
Hit#:5 Entry:6293 Library:NIST27.LIBSI:94 Formula:C10H16 CAS:18172-67-3 MolWeight:136 RetIndex:0CompName:Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27
41
53
69 79
93
107121 136
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:9 R.Time:7.055(Scan#:812) MassPeaks:276 RawMode:Averaged 7.050-7.060(811-813) BasePeak:81.05(753)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
36
41
55
67
81 95
109123
138
148 179 198 210 225 250260 273 287 299 314 332 363 391 406 421 435 448 475 488
Hit#:1 Entry:10268 Library:NIST147.LIBSI:88 Formula:C10H18 CAS:3983-03-7 MolWeight:138 RetIndex:0CompName:Cyclohexene,1-(2-methylpropyl)- $$ 1-Isobutyl-1-cyclohexene # $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
55
6781 95
109 123
138
Hit#:2 Entry:10279 Library:NIST147.LIBSI:88 Formula:C10H18 CAS:6069-97-2 MolWeight:138 RetIndex:0CompName:Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, [1S-(1.alpha.,3.alpha.,6.alpha.)]- $$ 3,7,7-Trimethylbicyclo[4.1.0]heptane # $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
55
67 81 95
109123
138
Hit#:3 Entry:27648 Library:WILEY7.LIBSI:88 Formula:C10 H18 CAS:6069-97-2 MolWeight:138 RetIndex:0CompName:Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, [1S-(1.alpha.,3.alpha.,6.alpha.)]- (CAS) Carane, (1S,3R,6R)-(+)- (CAS) trans-(+)-Carane $$ (+)-trans-Carane $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
55
67 81 95
109123
138
Hit#:4 Entry:27573 Library:WILEY7.LIBSI:87 Formula:C10 H18 CAS:75873-01-7 MolWeight:138 RetIndex:0CompName:CYCLOPENTANE, 1-METHYL-3-(2-METHYLPROPENYL)- $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
55
67 81
95
109
123
138
Hit#:5 Entry:27572 Library:WILEY7.LIBSI:87 Formula:C10 H18 CAS:74764-47-9 MolWeight:138 RetIndex:0CompName:Cyclopentane, 1-methyl-1-(2-methyl-2-propenyl)- (CAS) CYCLOPENTANE, 1-METHALLYL-1-METHYL- $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
55
67
8195
109
123
138
CH2CMe CH2Me
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:10 R.Time:7.330(Scan#:867) MassPeaks:269 RawMode:Averaged 7.325-7.335(866-868) BasePeak:41.05(25388)BG Mode:Calc. from Peak Group 1 - Event 1
100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 49035
41
53
69
77
93
107 121 136146 162 178 195 218 247 259 273 287 303 316 335 363 383 403 432 446 458 483
Hit#:1 Entry:26199 Library:WILEY7.LIBSI:97 Formula:C10 H16 CAS:123-35-3 MolWeight:136 RetIndex:0CompName:.beta.-Myrcene $$ 1,6-Octadiene, 7-methyl-3-methylene- (CAS) 2-Methyl-6-methylene-2,7-octadiene $$ 2-ETHENYL-6-METHYL-1,5-HEPTADIENE $$ Myrcene $$ 7-Methyl-3-methylene-1,6-octadiene $$ 7-Methyl-3-methyleneoctadiene-(1,6) $$ 3-Methylene-7-methyl-1,6-octadiene $$ trans-7-Methyl-3-methylene-1,6-octadiene $$ MYRCEN $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27
41
53
69
79
93
107 121 136
CH2CCH CH2CH2
CH2CHMe2C
Hit#:2 Entry:26194 Library:WILEY7.LIBSI:95 Formula:C10 H16 CAS:123-35-3 MolWeight:136 RetIndex:0CompName:.beta.-Myrcene $$ 1,6-Octadiene, 7-methyl-3-methylene- (CAS) 2-Methyl-6-methylene-2,7-octadiene $$ 2-ETHENYL-6-METHYL-1,5-HEPTADIENE $$ Myrcene $$ 7-Methyl-3-methylene-1,6-octadiene $$ 7-Methyl-3-methyleneoctadiene-(1,6) $$ 3-Methylene-7-methyl-1,6-octadiene $$ trans-7-Methyl-3-methylene-1,6-octadiene $$ MYRCEN $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27
41
53
69
79
93
107 121 136
CH2CCH CH2CH2
CH2CHMe2C
Hit#:3 Entry:9579 Library:NIST147.LIBSI:95 Formula:C10H16 CAS:123-35-3 MolWeight:136 RetIndex:0CompName:.beta.-Myrcene $$ 1,6-Octadiene, 7-methyl-3-methylene- $$ Myrcene $$ 7-Methyl-3-methylene-1,6-octadiene $$ 7-Methyl-3-methyleneoctadiene-(1,6) $$ 2-Methyl-6-methylene-2,7-octadiene $$ 3-Methylene-7-methyl-1,6-octadiene $$ b-Geraniolene $$ b-Myrcene $$ 7-Methyl-3-methylene-octa-1,6-diene $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27
41
53
69
79
93
107 121 136
Hit#:4 Entry:26195 Library:WILEY7.LIBSI:94 Formula:C10 H16 CAS:123-35-3 MolWeight:136 RetIndex:0CompName:.beta.-Myrcene $$ 1,6-Octadiene, 7-methyl-3-methylene- (CAS) 2-Methyl-6-methylene-2,7-octadiene $$ 2-ETHENYL-6-METHYL-1,5-HEPTADIENE $$ Myrcene $$ 7-Methyl-3-methylene-1,6-octadiene $$ 7-Methyl-3-methyleneoctadiene-(1,6) $$ 3-Methylene-7-methyl-1,6-octadiene $$ trans-7-Methyl-3-methylene-1,6-octadiene $$ MYRCEN $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27
41
53
69
77
93
107 121 136
CH2CCH CH2CH2
CH2CHMe2C
Hit#:5 Entry:26203 Library:WILEY7.LIBSI:94 Formula:C10 H16 CAS:123-35-3 MolWeight:136 RetIndex:0CompName:.beta.-Myrcene $$ 1,6-Octadiene, 7-methyl-3-methylene- (CAS) 2-Methyl-6-methylene-2,7-octadiene $$ 2-ETHENYL-6-METHYL-1,5-HEPTADIENE $$ Myrcene $$ 7-Methyl-3-methylene-1,6-octadiene $$ 7-Methyl-3-methyleneoctadiene-(1,6) $$ 3-Methylene-7-methyl-1,6-octadiene $$ trans-7-Methyl-3-methylene-1,6-octadiene $$ MYRCEN $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
39
41
53
69
77
93
107 121136
CH2CCH CH2CH2
CH2CHMe2C
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:11 R.Time:7.585(Scan#:918) MassPeaks:311 RawMode:Averaged 7.580-7.590(917-919) BasePeak:95.05(573)BG Mode:Calc. from Peak Group 1 - Event 1
100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
35
41
55
67
81
95
109
123138141 167 178 191 204214 230 250 268 284 303 317 344 369379 394 411 432 450 467 486
Hit#:1 Entry:10279 Library:NIST147.LIBSI:84 Formula:C10H18 CAS:6069-97-2 MolWeight:138 RetIndex:0CompName:Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, [1S-(1.alpha.,3.alpha.,6.alpha.)]- $$ 3,7,7-Trimethylbicyclo[4.1.0]heptane # $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
27
41
55
67 81 95
109123
138
Hit#:2 Entry:27648 Library:WILEY7.LIBSI:84 Formula:C10 H18 CAS:6069-97-2 MolWeight:138 RetIndex:0CompName:Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-, [1S-(1.alpha.,3.alpha.,6.alpha.)]- (CAS) Carane, (1S,3R,6R)-(+)- (CAS) trans-(+)-Carane $$ (+)-trans-Carane $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
27
41
55
67 81 95
109123
138
Hit#:3 Entry:27572 Library:WILEY7.LIBSI:81 Formula:C10 H18 CAS:74764-47-9 MolWeight:138 RetIndex:0CompName:Cyclopentane, 1-methyl-1-(2-methyl-2-propenyl)- (CAS) CYCLOPENTANE, 1-METHALLYL-1-METHYL- $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
27
41
55
67
8195
109
123
138
CH2CMe CH2Me
Hit#:4 Entry:10270 Library:NIST147.LIBSI:81 Formula:C10H18 CAS:74764-47-9 MolWeight:138 RetIndex:0CompName:Cyclopentane, 1-methyl-1-(2-methyl-2-propenyl)- $$ 1-Methyl-1-(2-methyl-2-propenyl)cyclopentane # $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
27
41
55
67
8195
109
123
138
Hit#:5 Entry:6694 Library:NIST27.LIBSI:81 Formula:C10H18 CAS:473-55-2 MolWeight:138 RetIndex:0CompName:Bicyclo[3.1.1]heptane, 2,6,6-trimethyl-100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
27
41
5567
82
95
109
123
138
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:12 R.Time:7.805(Scan#:962) MassPeaks:270 RawMode:Averaged 7.800-7.810(961-963) BasePeak:93.05(11115)BG Mode:Calc. from Peak Group 1 - Event 1
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 49035
3951 65
77
93
105 121
136
141 167 178 195 221 244 268 293 321 346 364 383 400 419429 442 458 474
Hit#:1 Entry:6375 Library:NIST27.LIBSI:96 Formula:C10H16 CAS:99-83-2 MolWeight:136 RetIndex:0CompName:.alpha.-Phellandrene100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27 39 51 65
77
93
105 119136
Hit#:2 Entry:26249 Library:WILEY7.LIBSI:96 Formula:C10 H16 CAS:99-83-2 MolWeight:136 RetIndex:0CompName:l-Phellandrene $$ 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)- (CAS) p-Mentha-1,5-diene $$ .alpha.-Fellandrene $$ .alpha.-Phellandrene $$ p-Menthadiene ((-)-) $$ 5-Isopropyl-2-methyl-1,3-cyclohexadiene $$ ALPHA-PHELLANDRENE $$ 2-Methyl-5-isopropyl-1,3-cyclohexadiene $$ PARA-MENTA-1,5-DIENE $$ A-PHELLANDRENE $$ 2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene $$ 4-Isopropyl-1-methyl-1,5-cyclohexadiene $$ ALPHA-PHELLANDREN $$ Menthadiene $$ 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 4903739
51 65
77
93
105 121
136
Pr-i
Me
Hit#:3 Entry:25509 Library:WILEY7.LIBSI:95 Formula:C10 H16 CAS:1529-99-3 MolWeight:136 RetIndex:0CompName:.ALPHA. PHELLANDRENE $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 4903739 51 65
77
93
105 121
136
Hit#:4 Entry:26413 Library:WILEY7.LIBSI:93 Formula:C10 H16 CAS:2867-05-2 MolWeight:136 RetIndex:0CompName:.alpha.-Thujene $$ Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)- (CAS) Origanene $$ 3-Thujene $$ ALPHA-THUJENE $$ ALFA-THUJENE $$ ALPHA-THUJEN $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27 4165
77
93
105 121 136
Pr-i
Me
Hit#:5 Entry:9521 Library:NIST147.LIBSI:93 Formula:C10H16 CAS:2867-05-2 MolWeight:136 RetIndex:0CompName:Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)- $$ 3-Thujene $$ .alpha.-Thujene $$ Origanene $$ 5-Isopropyl-2-methylbicyclo[3.1.0]hex-2-ene # $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27 4165
77
93
105 121 136
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:13 R.Time:8.050(Scan#:1011) MassPeaks:251 RawMode:Averaged 8.045-8.055(1010-1012) BasePeak:93.05(13334)BG Mode:Calc. from Peak Group 1 - Event 1
100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 49035
39
43 67
77
93
105 121136
160 178 208218 237 259 290 317 343 359369 382 404 425 446 462 476 498
Hit#:1 Entry:26155 Library:WILEY7.LIBSI:95 Formula:C10 H16 CAS:3779-61-1 MolWeight:136 RetIndex:0CompName:1,3,6-Octatriene, 3,7-dimethyl-, (E)- (CAS) .BETA. OCIMENE Y $$ trans-.beta.-Ocimene $$ .beta.-trans-Ocimene $$ Ocimene, trans-.beta.- $$ trans-3,7-Dimethyl-1,3,6-octatriene $$ BETA OCIMENE Y $$ E-.beta.-ocimene $$ (E)-Ocimene $$ trans-Ocimene $$ beta-trans-ocimene $$ (E)-.beta.-Ocimene $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
38
4153 67
79
93
105 121136
CHCH2CH CMe 2CMeCHH2C
Hit#:2 Entry:6321 Library:NIST27.LIBSI:95 Formula:C10H16 CAS:3338-55-4 MolWeight:136 RetIndex:0CompName:1,3,6-Octatriene, 3,7-dimethyl-, (Z)-100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
27
4153
67
79
93
105 121136
Hit#:3 Entry:9504 Library:NIST147.LIBSI:94 Formula:C10H16 CAS:2437-95-8 MolWeight:136 RetIndex:0CompName:Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (.+/-.)- $$ 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane # $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
2739
53 67
77
93
105 121 136
Hit#:4 Entry:26179 Library:WILEY7.LIBSI:94 Formula:C10 H16 CAS:502-99-8 MolWeight:136 RetIndex:0CompName:1,3,7-OCTATRIENE, 3,7-DIMETHYL- $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
2741
5367
79
93
105 121136
CH2CH CMeCH CH2CH2CMeH2C
Hit#:5 Entry:6368 Library:NIST27.LIBSI:94 Formula:C10H16 CAS:502-99-8 MolWeight:136 RetIndex:0CompName:1,3,7-Octatriene, 3,7-dimethyl-100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
2741
5367
79
93
105 121136
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:14 R.Time:8.280(Scan#:1057) MassPeaks:230 RawMode:Averaged 8.275-8.285(1056-1058) BasePeak:43.00(17896)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 48035
41
43
69
71
86
111
125
139 154180 194 221 240 265 292 314 327 341 357 370 390 412 431 455 470 481 494
Hit#:1 Entry:43928 Library:WILEY7.LIBSI:94 Formula:C10 H18 O CAS:470-67-7 MolWeight:154 RetIndex:0CompName:Isocineole $$ 7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)- (CAS) 7-Oxabicyclo[2.2.1]heptane, 1-isopropyl-4-methyl- (CAS) 1,4-Cineole $$ 1,4-Cineol $$ p-Menthane, 1,4-epoxy- $$ p-Menthane, 1,4-epoxy $$ 1,4-Epoxy-p-menthane $$ 7-Oxabicyclo(2.2.1)heptane, 1-isopropyl-4-methyl- $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
27
41
43
69
71
96
111
125
139154
O
Pr-i
Me
Hit#:2 Entry:16853 Library:NIST147.LIBSI:94 Formula:C10H18O CAS:470-67-7 MolWeight:154 RetIndex:0CompName:7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)- $$ p-Menthane, 1,4-epoxy $$ Isocineole $$ 1,4-Cineol $$ 1,4-Cineole $$ 1,4-Epoxy-p-menthane $$ 7-Oxabicyclo(2.2.1)heptane, 1-isopropyl-4-methyl- $$ 1-Isopropyl-4-methyl-7-oxabicyclo[2.2.1]heptane # $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
27
41
43
69
71
96
111
125
139154
O
Hit#:3 Entry:43929 Library:WILEY7.LIBSI:93 Formula:C10 H18 O CAS:470-67-7 MolWeight:154 RetIndex:0CompName:Isocineole $$ 7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)- (CAS) 7-Oxabicyclo[2.2.1]heptane, 1-isopropyl-4-methyl- (CAS) 1,4-Cineole $$ 1,4-Cineol $$ p-Menthane, 1,4-epoxy- $$ p-Menthane, 1,4-epoxy $$ 1,4-Epoxy-p-menthane $$ 7-Oxabicyclo(2.2.1)heptane, 1-isopropyl-4-methyl- $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
39
41
43
69
71
96
111
125
139154
O
Pr-i
Me
Hit#:4 Entry:43927 Library:WILEY7.LIBSI:92 Formula:C10 H18 O CAS:470-67-7 MolWeight:154 RetIndex:0CompName:Isocineole $$ 7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)- (CAS) 7-OXABICYCLO[2.2.1]HEPTANE, 1-ISOPROPYL-4-METHYL- $$ 1,4-Cineole $$ 1,4-Cineol $$ p-Menthane, 1,4-epoxy- $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
27
41
43
69
71
93
111
125139
154
O
Pr-i
Me
Hit#:5 Entry:9455 Library:NIST27.LIBSI:92 Formula:C10H18O CAS:470-67-7 MolWeight:154 RetIndex:0CompName:7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)-100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
27
41
43
69
71
93
111
125139
154
O
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:15 R.Time:8.365(Scan#:1074) MassPeaks:289 RawMode:Averaged 8.360-8.370(1073-1075) BasePeak:93.05(28426)BG Mode:Calc. from Peak Group 1 - Event 1
100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 49037
3951 65
77
93
105
121
136
145 162 180 193 204 215 233 265 279 291 302 329 340 356 373 394 417 431 453 475 488
Hit#:1 Entry:26339 Library:WILEY7.LIBSI:94 Formula:C10 H16 CAS:586-62-9 MolWeight:136 RetIndex:0CompName:.ALPHA.-TERPINOLENE $$ Cyclohexene, 1-methyl-4-(1-methylethylidene)- (CAS) 1,4(8)-P-MENTHADIENE $$ 1-METHYLENE-4-ISOPROPYLENECYCLOHEXANE $$ Terpinolene $$ .ALPHA.-TERPINOLEN $$ Terpinolen $$ p-Mentha-1,4(8)-diene $$ PARA-MENTHA-1,4(8)-DIENE $$ UN 2541 $$ ALPHA-TERPINOLEN $$ 4-Isopropylidene-1-methylcyclohexene $$ Isoterpinene $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
38
3953 65
79
93
105
121136
CMe2
Me
Hit#:2 Entry:9534 Library:NIST147.LIBSI:94 Formula:C10H16 CAS:586-62-9 MolWeight:136 RetIndex:0CompName:Cyclohexene, 1-methyl-4-(1-methylethylidene)- $$ p-Mentha-1,4(8)-diene $$ Terpinolen $$ Terpinolene $$ UN 2541 $$ .alpha.- Terpinolen $$ 1-Methyl-4-(1-methylethylidene)-1-cyclohexene # $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
2739
53 65
79
93
105
121
136
Hit#:3 Entry:26233 Library:WILEY7.LIBSI:94 Formula:C10 H16 CAS:99-86-5 MolWeight:136 RetIndex:0CompName:.alpha.-Terpinene $$ 1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- (CAS) 1,3-P-MENTHADIENE $$ 1-Methyl-4-isopropyl-1,3-cyclohexadiene $$ Terpilene $$ .alpha.-Terpinen $$ p-Mentha-1,3-diene $$ ALPHA-TERPINENE $$ .alpha.-terpipene $$ 1-Isopropyl-4-methyl-1,3-cyclohexadiene $$ 1-methyl-4-(1-methylethyl)-1,3-cyclohexadiene $$ 1,3-Cyclohexadiene, 1-methyl-4-isopropyl- $$ 1-Methyl-4-isopropylcyclohexadiene-1,3 $$ .alpha.-Terpine $$ 4-Isopropyl-1-methyl-1,3-cyclohexadiene $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
38
41
65
77
93
105
121
136
Pr-i
Me
Hit#:4 Entry:26281 Library:WILEY7.LIBSI:94 Formula:C10 H16 CAS:99-85-4 MolWeight:136 RetIndex:0CompName:.gamma.-Terpinene $$ 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- (CAS) 1-ISOPROPYL-4-METHYL-1,4-CYCLOHEXADIENE $$ Moslene $$ Crithmene $$ p-Mentha-1,4-diene $$ .gamma.-Terpinen $$ 4-Isopropyl-1-methyl-1,4-cyclohexadiene $$ 1-Methyl-4-isopropyl-1,4-cyclohexadiene $$ GAMMA-TERPINENE $$ 1,4-p-Menthadiene $$ .GAMMA. TERPINENE $$ 1-methyl-4-(1-methylethyl)-1,4-cyclohexadiene $$ TERPINENE, .alpha. $$ 1-Methyl-4-isopropylcyclohexadiene-1,4 $$ 1,4-Cyclohexadiene, 1-methyl-4-isopropyl- $$ GAMMA-TERPINEN $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
38
3965
77
93
105
121 136
Pr-i
Me
Hit#:5 Entry:26232 Library:WILEY7.LIBSI:94 Formula:C10 H16 CAS:99-86-5 MolWeight:136 RetIndex:0CompName:.alpha.-Terpinene $$ 1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- (CAS) 1,3-P-MENTHADIENE $$ 1-Methyl-4-isopropyl-1,3-cyclohexadiene $$ Terpilene $$ .alpha.-Terpinen $$ p-Mentha-1,3-diene $$ ALPHA-TERPINENE $$ .alpha.-terpipene $$ 1-Isopropyl-4-methyl-1,3-cyclohexadiene $$ 1-methyl-4-(1-methylethyl)-1,3-cyclohexadiene $$ 1,3-Cyclohexadiene, 1-methyl-4-isopropyl- $$ 1-Methyl-4-isopropylcyclohexadiene-1,3 $$ .alpha.-Terpine $$ 4-Isopropyl-1-methyl-1,3-cyclohexadiene $$ 100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
27 4165
77
93
105
121
136
Pr-i
Me
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:16 R.Time:8.650(Scan#:1131) MassPeaks:263 RawMode:Averaged 8.645-8.655(1130-1132) BasePeak:119.10(35301)BG Mode:Calc. from Peak Group 1 - Event 1
100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 49035
39 51 65 77
91
103
119
134
143 161 178 197 217 233 248 268 290 311 324 349 360 389 419 437 458 476 500
Hit#:1 Entry:5906 Library:NIST27.LIBSI:97 Formula:C10H14 CAS:99-87-6 MolWeight:134 RetIndex:0CompName:Benzene, 1-methyl-4-(1-methylethyl)-100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 49014 27
39 51 65 77
91
103
119
134
Hit#:2 Entry:5952 Library:NIST27.LIBSI:97 Formula:C10H14 CAS:535-77-3 MolWeight:134 RetIndex:0CompName:Benzene, 1-methyl-3-(1-methylethyl)-100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 49014 27
39 51 65 77
91
103
119
134
Hit#:3 Entry:8876 Library:NIST147.LIBSI:96 Formula:C10H14 CAS:527-84-4 MolWeight:134 RetIndex:0CompName:Benzene, 1-methyl-2-(1-methylethyl)- $$ o-Cymene $$ o-Cymol $$ o-Isopropyltoluene $$ 1-Isopropyl-2-methylbenzene $$ 1-Methyl-2-isopropylbenzene $$ 2-Isopropyltoluene $$ 1-Methyl-2-(1-methylethyl)-benzene $$ Cymene, ortho $$ UN 2046 $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
15 2739 51 65 77
91
103
119
134
Hit#:4 Entry:24443 Library:WILEY7.LIBSI:95 Formula:C10 H14 CAS:99-87-6 MolWeight:134 RetIndex:0CompName:Benzene, 1-methyl-4-(1-methylethyl)- (CAS) p-Cymene $$ 1-Methyl-4-isopropylbenzene $$ p-Cymol $$ p-Cimene $$ Camphogen $$ Dolcymene $$ 2-p-Tolylpropane $$ p-Isopropyltoluene $$ p-Methylisopropylbenzene $$ 1-Isopropyl-4-methylbenzene $$ 4-Isopropyl-1-methylbenzene acid $$ 4-Isopropyl-1-methylbenzene $$ p-Methylcumene $$ 4-Isopropyltoluene $$ 1-Methyl-4-(1-methylethyl)benzene $$ 4-Methylisopropylbenzene $$ 4-Isopropyl-toluene $$ 1-Methyl-4-(1-methylethyl)-benzene $$ Cymol $$ Isopropyltoluene $$ Benzene, 1-is100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
2339 51 65 77
91
103
119
134
Pr-i
Me
Hit#:5 Entry:24425 Library:WILEY7.LIBSI:95 Formula:C10 H14 CAS:25155-15-1 MolWeight:134 RetIndex:0CompName:Benzene, methyl(1-methylethyl)- (CAS) Cymol $$ Cymene $$ Thymene $$ Isopropyltoluene $$ (Methylisopropyl)benzene $$ PARA CYMENE $$ Methylisopropylbenzene $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 49037 51
65 77
91
103
119
134D1 Pr-iD1 Me
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:17 R.Time:8.920(Scan#:1185) MassPeaks:307 RawMode:Averaged 8.915-8.925(1184-1186) BasePeak:93.05(33243)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 47036
39
53
68
79
93
107 121 136140 154 174 190 210 233 257 268 283 297 311 331 353 376 389 411 432 444454 486
Hit#:1 Entry:6328 Library:NIST27.LIBSI:90 Formula:C10H16 CAS:138-86-3 MolWeight:136 RetIndex:0CompName:Limonene100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
39
53
68
79
93
107 121 136
Hit#:2 Entry:26299 Library:WILEY7.LIBSI:90 Formula:C10 H16 CAS:138-86-3 MolWeight:136 RetIndex:0CompName:Cyclohexene, 1-methyl-4-(1-methylethenyl)- (CAS) 1-P-MENTHA-1,8-DIENE $$ Limonene $$ Dipentene $$ Carvene $$ Cinen $$ Nesol $$ Cinene $$ Limonen $$ Eulimen $$ Dipenten $$ Cajeputen $$ Kautschin $$ Cajeputene $$ .alpha.-Limonene $$ p-Mentha-1,8-diene $$ 4-Isopropenyl-1-methylcyclohexene $$ 1,8-p-Menthadiene $$ 4-Isopropenyl-1-methyl-1-cyclohexene $$ 1-Methyl-4-(1-methylethenyl)cyclohexene $$ 1-Methyl-4-isopropenylcyclohexene $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
39
53
68
79
93
107 121 136
CMeCH2
Me
Hit#:3 Entry:26305 Library:WILEY7.LIBSI:89 Formula:C10 H16 CAS:138-86-3 MolWeight:136 RetIndex:0CompName:dl-Limonene $$ Cyclohexene, 1-methyl-4-(1-methylethenyl)- (CAS) 1-P-MENTHA-1,8-DIENE $$ Limonene $Cinen $$ Nesol $$ Cinene $$ Limonen $$ Eulimen $$ Dipenten $$ Cajeputen $$ Kautschin $$ Cajeputene $$ .alpha.-Limonene $$ p-Mentha-1,8-diene $$ 4-Isopropenyl-1-methylcyclohexene $$ 1,8-p-Menthadiene $$ 4-Isopropenyl-1-methyl-1-cyclohexene $$ 1-Methyl-4-(1-methylethenyl)cyclohexene $$ 1-Methyl-4-isopropenylcyclohexene $$ Limonene $$ Dipentene $$ Carvene $$ Cinen $$ Limonene $Dipentene $$ p-Mentha-1,8(9)-diene $100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 47038
39 53
68
79
93
107 121 136
CMeCH2
Me
Hit#:4 Entry:26503 Library:WILEY7.LIBSI:89 Formula:C10 H16 CAS:53282-47-6 MolWeight:136 RetIndex:0CompName:Bicyclo[4.1.0]heptane, 7-(1-methylethylidene)- (CAS) 7-ISOPROPYLENYL BICYCLO(4.1.0(1-6))HEPTANE $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
38
41
55
67
79
93
107
121
136
Me2C
Hit#:5 Entry:26325 Library:WILEY7.LIBSI:89 Formula:C10 H16 CAS:5989-54-8 MolWeight:136 RetIndex:0CompName:l-Limonene $$ Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- (CAS) $ (-)-Limonene $$ p-Mentha-1,8-diene, (S)-(-)- $$ (-)-Limonene $$ Limonene $$ (-)-(S)-Limonene $$ (S)-Limonene $$ .beta.-Limonene $$ (S)-(-)-Limonene $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
38
39 53
68
79
93
107 121 136
CMe CH2
Me
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:18 R.Time:10.200(Scan#:1441) MassPeaks:268 RawMode:Averaged 10.195-10.205(1440-1442) BasePeak:93.05(25107)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 47036
3965
77
93
105121 136
142 158 172 186 205 220 244 262 275 292 316 342 354 368 391 407 425 440 461 479 497
Hit#:1 Entry:6298 Library:NIST27.LIBSI:96 Formula:C10H16 CAS:99-85-4 MolWeight:136 RetIndex:0CompName:1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27 39 65
77
93
105
121 136
Hit#:2 Entry:26280 Library:WILEY7.LIBSI:96 Formula:C10 H16 CAS:99-85-4 MolWeight:136 RetIndex:0CompName:.gamma.-Terpinene $$ 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- (CAS) 1-ISOPROPYL-4-METHYL-1,4-CYCLOHEXADIENE $$ Moslene $$ Crithmene $$ p-Mentha-1,4-diene $$ .gamma.-Terpinen $$ 4-Isopropyl-1-methyl-1,4-cyclohexadiene $$ 1-Methyl-4-isopropyl-1,4-cyclohexadiene $$ GAMMA-TERPINENE $$ 1,4-p-Menthadiene $$ .GAMMA. TERPINENE $$ 1-methyl-4-(1-methylethyl)-1,4-cyclohexadiene $$ TERPINENE, .alpha. $$ 1-Methyl-4-isopropylcyclohexadiene-1,4 $$ 1,4-Cyclohexadiene, 1-methyl-4-isopropyl- $$ GAMMA-TERPINEN $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27 39 65
77
93
105
121 136
Pr-i
Me
Hit#:3 Entry:26275 Library:WILEY7.LIBSI:95 Formula:C10 H16 CAS:99-85-4 MolWeight:136 RetIndex:0CompName:.gamma.-Terpinene $$ 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- (CAS) 1-ISOPROPYL-4-METHYL-1,4-CYCLOHEXADIENE $$ Moslene $$ Crithmene $$ p-Mentha-1,4-diene $$ .gamma.-Terpinen $$ 4-Isopropyl-1-methyl-1,4-cyclohexadiene $$ 1-Methyl-4-isopropyl-1,4-cyclohexadiene $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27 41
65
77
93
105121 136
Pr-i
Me
Hit#:4 Entry:26284 Library:WILEY7.LIBSI:95 Formula:C10 H16 CAS:99-85-4 MolWeight:136 RetIndex:0CompName:.gamma.-Terpinene $$ 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- (CAS) 1-ISOPROPYL-4-METHYL-1,4-CYCLOHEXADIENE $$ Moslene $$ Crithmene $$ p-Mentha-1,4-diene $$ .gamma.-Terpinen $$ 4-Isopropyl-1-methyl-1,4-cyclohexadiene $$ 1-Methyl-4-isopropyl-1,4-cyclohexadiene $$ GAMMA-TERPINENE $$ 1,4-p-Menthadiene $$ .GAMMA. TERPINENE $$ 1-methyl-4-(1-methylethyl)-1,4-cyclohexadiene $$ TERPINENE, .alpha. $$ 1-Methyl-4-isopropylcyclohexadiene-1,4 $$ 1,4-Cyclohexadiene, 1-methyl-4-isopropyl- $$ GAMMA-TERPINEN $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27 3965
77
93
105
121136
219
Pr-i
Me
Hit#:5 Entry:6297 Library:NIST27.LIBSI:95 Formula:C10H16 CAS:99-85-4 MolWeight:136 RetIndex:0CompName:1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27 39
65
77
93
105
121 136
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:19 R.Time:10.465(Scan#:1494) MassPeaks:305 RawMode:Averaged 10.460-10.470(1493-1495) BasePeak:43.00(619)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 48035
41
43
67
71
93
111 121136146 167 195 208 230 261 275 305 319 345 357 377 401 419 444 458 474
Hit#:1 Entry:43906 Library:WILEY7.LIBSI:85 Formula:C10 H18 O CAS:17699-16-0 MolWeight:154 RetIndex:0CompName:trans-Sabinene hydrate $$ TRANS-THUJAN-4-OL $$ Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1.alpha.,2.alpha.,5.alpha.)- $$ SABINENHYDRAT, TRANS- $$ 4-Thujanol, stereoisomer (CAS) trans-4-Thujanol $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
39
41
43
69
71
93
111121
139140 154
Hit#:2 Entry:44028 Library:WILEY7.LIBSI:84 Formula:C10 H18 O CAS:15826-82-1 MolWeight:154 RetIndex:0CompName:cis-sabinene hydrate $$ Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-(.+-.)- (CAS) 4-Thujanol, cis-(.+-.)- (CAS) 4-Thujanol, (.+-.)-cis- $$ dl-cis-Sabinene hydrate $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
39
41
43
69
71
93
111121 139
140 154
Hit#:3 Entry:16807 Library:NIST147.LIBSI:84 Formula:C10H18O CAS:7299-41-4 MolWeight:154 RetIndex:0CompName:Terpineol, cis-.beta.- $$ 4-Isopropenyl-1-methylcyclohexanol # $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
41
43
69
71
93111 121 139
154
OH
Hit#:4 Entry:16847 Library:NIST147.LIBSI:84 Formula:C10H18O CAS:15537-55-0 MolWeight:154 RetIndex:0CompName:Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)- $$ 5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol # $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
27
41
43
69
7193
111 121
136
154
HO
Hit#:5 Entry:43899 Library:WILEY7.LIBSI:84 Formula:C10 H18 O CAS:546-79-2 MolWeight:154 RetIndex:0CompName:CIS-SABINENEHYDRATE $$ Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)- $$ Sabinene hydrate $$ 4-Thujanol $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
27
41
43
69
7193
111 121
136
154
Pr-i
HO Me
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:20 R.Time:11.640(Scan#:1729) MassPeaks:228 RawMode:Averaged 11.635-11.645(1728-1730) BasePeak:93.05(16375)BG Mode:Calc. from Peak Group 1 - Event 1
100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 49035
39
53 65
79
93
105
121
136
152 169 182 201 222 236 263 276 301 333 349 366 391 406 424 445 474 492
Hit#:1 Entry:9534 Library:NIST147.LIBSI:94 Formula:C10H16 CAS:586-62-9 MolWeight:136 RetIndex:0CompName:Cyclohexene, 1-methyl-4-(1-methylethylidene)- $$ p-Mentha-1,4(8)-diene $$ Terpinolen $$ Terpinolene $$ UN 2541 $$ .alpha.- Terpinolen $$ 1-Methyl-4-(1-methylethylidene)-1-cyclohexene # $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
2739
53 65
79
93
105
121
136
Hit#:2 Entry:6335 Library:NIST27.LIBSI:93 Formula:C10H16 CAS:586-62-9 MolWeight:136 RetIndex:0CompName:Cyclohexene, 1-methyl-4-(1-methylethylidene)-100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
2739
4365
79
93
105
121
136
Hit#:3 Entry:26343 Library:WILEY7.LIBSI:93 Formula:C10 H16 CAS:586-62-9 MolWeight:136 RetIndex:0CompName:.ALPHA.-TERPINOLENE $$ Cyclohexene, 1-methyl-4-(1-methylethylidene)- (CAS) 1,4(8)-P-MENTHADIENE $$ 1-METHYLENE-4-ISOPROPYLENECYCLOHEXANE $$ Terpinolene $$ .ALPHA.-TERPINOLEN $$ Terpinolen $$ p-Mentha-1,4(8)-diene $$ PARA-MENTHA-1,4(8)-DIENE $$ UN 2541 $$ ALPHA-TERPINOLEN $$ 4-Isopropylidene-1-methylcyclohexene $$ Isoterpinene $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
2739
4365
79
93
105
121
136 CMe2
Me
Hit#:4 Entry:26335 Library:WILEY7.LIBSI:93 Formula:C10 H16 CAS:586-62-9 MolWeight:136 RetIndex:0CompName:.ALPHA.-TERPINOLENE $$ Cyclohexene, 1-methyl-4-(1-methylethylidene)- (CAS) 1,4(8)-P-MENTHADIENE $$ 1-METHYLENE-4-ISOPROPYLENECYCLOHEXANE $$ Terpinolene $$ .ALPHA.-TERPINOLEN $$ Terpinolen $$ p-Mentha-1,4(8)-diene $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
2741
4367
79
93
105
121136 CMe2
Me
Hit#:5 Entry:26344 Library:WILEY7.LIBSI:93 Formula:C10 H16 CAS:586-62-9 MolWeight:136 RetIndex:0CompName:.ALPHA.-TERPINOLENE $$ Cyclohexene, 1-methyl-4-(1-methylethylidene)- (CAS) 1,4(8)-P-MENTHADIENE $$ 1-METHYLENE-4-ISOPROPYLENECYCLOHEXANE $$ Terpinolene $$ .ALPHA.-TERPINOLEN $$ Terpinolen $$ p-Mentha-1,4(8)-diene $$ PARA-MENTHA-1,4(8)-DIENE $$ UN 2541 $$ ALPHA-TERPINOLEN $$ 4-Isopropylidene-1-methylcyclohexene $$ Isoterpinene $$ 100
10 40 70 100 130 160 190 220 250 280 310 340 370 400 430 460 490
2741
43
65
79
93
105
121136
CMe2
Me
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:21 R.Time:12.130(Scan#:1827) MassPeaks:237 RawMode:Averaged 12.125-12.135(1826-1828) BasePeak:41.05(1060)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
37
41
69
71
93
105121
136 149 163 193203 220 248 264 278 302 335 346 376 387 416 434 455 471 489
Hit#:1 Entry:26341 Library:WILEY7.LIBSI:95 Formula:C10 H16 CAS:586-62-9 MolWeight:136 RetIndex:0CompName:.ALPHA.-TERPINOLENE $$ Cyclohexene, 1-methyl-4-(1-methylethylidene)- (CAS) 1,4(8)-P-MENTHADIENE $$ 1-METHYLENE-4-ISOPROPYLENECYCLOHEXANE $$ Terpinolene $$ .ALPHA.-TERPINOLEN $$ Terpinolen $$ p-Mentha-1,4(8)-diene $$ PARA-MENTHA-1,4(8)-DIENE $$ UN 2541 $$ ALPHA-TERPINOLEN $$ 4-Isopropylidene-1-methylcyclohexene $$ Isoterpinene $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
39
41
69
71
93
107 121 136
CMe2
Me
Hit#:2 Entry:43686 Library:WILEY7.LIBSI:93 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
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
27
41
69
71
93
107121
136
CH2CH2CH CMe2CMe(OH)CHH2C
Hit#:3 Entry:42931 Library:WILEY7.LIBSI:93 Formula:C10 H18 O CAS:78-70-6 MolWeight:154 RetIndex:0CompName:LINALOOL L $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
39
41
69
7193
107
121
136
CH2CH2CH CMe2CMe(OH)CHH2C
Hit#:4 Entry:42910 Library:WILEY7.LIBSI:93 Formula:C10 H18 O CAS:78-70-6 MolWeight:154 RetIndex:0CompName:L-LINALOOL $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
31
41
69
71
93
107121
136
CH2CH2CH CMe2CMe(OH)CHH2C
Hit#:5 Entry:43703 Library:WILEY7.LIBSI:93 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 $$ 2,6-Dimethylocta-2,7-dien-6-ol $$ 3,7-Dimethyl-1,6-octadien-3-ol $$ 3,7-Dimethylocta-1,6-dien-3-ol $$ Linolool $$ 3,7-DIMETHYL-OCTA-1,6-DIEN-3-OL $$ BETA-LINALOOL $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
27
41
69
7193
107121
136
CH2CH2CH CMe2CMe(OH)CHH2C
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:22 R.Time:12.600(Scan#:1921) MassPeaks:357 RawMode:Averaged 12.595-12.605(1920-1922) BasePeak:123.00(56)BG Mode:Calc. from Peak Group 1 - Event 1
100
30 60 90 120 150 180 210 240 270 300 330 360 390 420 450 480
39
4365
95
102
123
126
150
154
168195
204 218236 249
266288298
316
334
347 369 381
396 414424 440 454
466
489
No hit compound
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:23 R.Time:12.755(Scan#:1952) MassPeaks:301 RawMode:Averaged 12.750-12.760(1951-1953) BasePeak:81.10(1373)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 47037
4143
67
81
84107 121
139 154 170 185 196 220 247257 276 288 309 327 342 358 372 383 399 425 447 470 488
Hit#:1 Entry:43936 Library:WILEY7.LIBSI:93 Formula:C10 H18 O CAS:1632-73-1 MolWeight:154 RetIndex:0CompName:D-Fenchyl alcohol $$ Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl- (CAS) Fenchyl alcohol $$ Fenchol $$ 2-Fenchanol one $$ 1,3,3-Trimethyl-2-norbornanol $$ 2-Norbornanol, 1,3,3-trimethyl- $$ 2-Fenchanol $$ .ALPHA. FENCHYL ALCOHOL $$ D-FENCHYLALCOHOL $$ (+)-Fenchol $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
43
69
81
84111121 136
OHMe
MeMe
Hit#:2 Entry:16826 Library:NIST147.LIBSI:91 Formula:C10H18O CAS:22627-95-8 MolWeight:154 RetIndex:0CompName:Fenchol, exo- $$ 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol # $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
41
69
81
84111121
139 154
OH
Hit#:3 Entry:16787 Library:NIST147.LIBSI:91 Formula:C10H18O CAS:2217-02-9 MolWeight:154 RetIndex:0CompName:Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1R-endo)- $$ (1R)-endo-(+)-Fenchyl alcohol $$ 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol # $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
4143
69
81
84 111121139
OH
Hit#:4 Entry:43938 Library:WILEY7.LIBSI:91 Formula:C10 H18 O CAS:1632-73-1 MolWeight:154 RetIndex:0CompName:D-Fenchyl alcohol $$ Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl- (CAS) Fenchyl alcohol $$ Fenchol $$ 2-Fenchanol one $$ 1,3,3-Trimethyl-2-norbornanol $$ 2-Norbornanol, 1,3,3-trimethyl- $$ 2-Fenchanol $$ .ALPHA. FENCHYL ALCOHOL $$ D-FENCHYLALCOHOL $$ (+)-Fenchol $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
3941
67
81
84 111121139
OHMe
MeMe
Hit#:5 Entry:43939 Library:WILEY7.LIBSI:89 Formula:C10 H18 O CAS:1632-73-1 MolWeight:154 RetIndex:0CompName:D-Fenchyl alcohol $$ Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl- (CAS) Fenchyl alcohol $$ Fenchol $$ 2-Fenchanol one $$ 1,3,3-Trimethyl-2-norbornanol $$ 2-Norbornanol, 1,3,3-trimethyl- $$ 2-Fenchanol $$ .ALPHA. FENCHYL ALCOHOL $$ D-FENCHYLALCOHOL $$ (+)-Fenchol $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
4143
69
81
84111121
136 154
OHMe
MeMe
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:24 R.Time:13.910(Scan#:2183) MassPeaks:270 RawMode:Averaged 13.905-13.915(2182-2184) BasePeak:81.05(1338)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 47035
41
43
58
81
93 107121
136
143 159 181 208 227 249 279 301 323 336 350 364 383 404 424 446 467 487 498
Hit#:1 Entry:43769 Library:WILEY7.LIBSI:92 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 $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
43
58
81
93107
121 136
OHMe
i-Pr
Hit#:2 Entry:9419 Library:NIST27.LIBSI:92 Formula:C10H18O CAS:586-82-3 MolWeight:154 RetIndex:0CompName:3-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
43
58
81
93107
121 136
OH
Hit#:3 Entry:9420 Library:NIST27.LIBSI:92 Formula:C10H18O CAS:586-82-3 MolWeight:154 RetIndex:0CompName:3-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
43
58
81
93
107121 136
154
OH
Hit#:4 Entry:43768 Library:WILEY7.LIBSI:92 Formula:C10 H18 O CAS:586-82-3 MolWeight:154 RetIndex:0CompName:p-Menth-3-en-1-ol $$ 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
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
43
58
81
93
107121 136
154
OHMe
i-Pr
Hit#:5 Entry:42930 Library:WILEY7.LIBSI:91 Formula:C10 H18 O CAS:586-82-3 MolWeight:154 RetIndex:0CompName:TERPINENE 1-OL $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
39
43
58
81
93 107121
136
OHMe
i-Pr
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:25 R.Time:14.440(Scan#:2289) MassPeaks:282 RawMode:Averaged 14.435-14.445(2288-2290) BasePeak:43.00(551)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
35
41
43
69
71
93
107121
136163173 191201 213 233243 263 284 298 319 334 351 377 391 414 432 459 486
Hit#:1 Entry:9444 Library:NIST27.LIBSI:85 Formula:C10H18O CAS:138-87-4 MolWeight:154 RetIndex:0CompName:Cyclohexanol, 1-methyl-4-(1-methylethenyl)-100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
43
69
71
93
107121
136
OH
Hit#:2 Entry:43886 Library:WILEY7.LIBSI:85 Formula:C10 H18 O CAS:138-87-4 MolWeight:154 RetIndex:0CompName:Cyclohexanol, 1-methyl-4-(1-methylethenyl)- (CAS) .beta.-Terpineol $$ 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
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
43
69
71
93
107121
136
CMeCH2
HOMe
Hit#:3 Entry:43891 Library:WILEY7.LIBSI:85 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 $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
39
41
43
69
71
93
107121
136
140 154
CMeCH2
HOMe
Hit#:4 Entry:9442 Library:NIST27.LIBSI:84 Formula:C10H18O CAS:138-87-4 MolWeight:154 RetIndex:0CompName:Cyclohexanol, 1-methyl-4-(1-methylethenyl)-100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
43
69
71
93
107 121136
OH
Hit#:5 Entry:43884 Library:WILEY7.LIBSI:84 Formula:C10 H18 O CAS:138-87-4 MolWeight:154 RetIndex:0CompName:Cyclohexanol, 1-methyl-4-(1-methylethenyl)- (CAS) .beta.-Terpineol $$ 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
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
43
69
71
93
107 121136
CMeCH2
HOMe
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:26 R.Time:15.585(Scan#:2518) MassPeaks:263 RawMode:Averaged 15.580-15.590(2517-2519) BasePeak:95.10(978)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 47035
41
43 6771
95
110 121 139159 171 193 210 228238 254 268 284 301 316 331 345 358 372 386 399 417 442 455 474 490
Hit#:1 Entry:44020 Library:WILEY7.LIBSI:85 Formula:C10 H18 O CAS:10385-78-1 MolWeight:154 RetIndex:0CompName:Borneol $$ 1,7,7-TRIMETHYL-BICYCLO[2.2.1]HEPTAN-2-OL $$ Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl- (CAS) 2-Bornanol (CAS) 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol $$ Bingpian $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
39
4143 67
95
110121 139
154
Hit#:2 Entry:9440 Library:NIST27.LIBSI:85 Formula:C10H18O CAS:10385-78-1 MolWeight:154 RetIndex:0CompName:Borneol100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
39
4143 67
95
110121 139
154
OH
Hit#:3 Entry:43954 Library:WILEY7.LIBSI:85 Formula:C10 H18 O CAS:507-70-0 MolWeight:154 RetIndex:0CompName:endo-Borneol $$ Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, endo- (CAS) Borneol (CAS) Camphol $$ endo-2-Hydroxy-1,7,7-trimethylnorbornane $$ Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl- $$ 2-Bornanol, endo- $$ Baros camphor $$ Bhimsaim camphor $$ Borneo camphor $$ trans-Borneol $$ Bornyl alcohol $$ Camphane, 2-hydroxy- $$ 2-Camphanol $$ Dryobalanops camphor $$ 2-Hydroxycamphane $$ Malayan camphor $$ Sumatra camphor $$ 1,7,7-Trimethyl-bicyclo(2.2.1)heptan-2-ol, endo- $$ UN 1312 $$ (+)-BORNEOL $$ 2-Borneol $100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
39
4143 67
77
95
110121 139
OHMe
Me
Me
Hit#:4 Entry:9421 Library:NIST27.LIBSI:84 Formula:C10H18O CAS:464-45-9 MolWeight:154 RetIndex:0CompName:Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S-endo)-100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
274143
67
95
110121 139 HO
Hit#:5 Entry:43949 Library:WILEY7.LIBSI:84 Formula:C10 H18 O CAS:464-45-9 MolWeight:154 RetIndex:0CompName:1-BORNEOL $$ Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S-endo)- (CAS) Linderol $$ l-Borneol $$ (-)-Borneol $$ Ngai camphor $$ Borneol, (1S,2R,4S)-(-)- $$ Borneol, (1S,2R,4S)-)- (8CII) $$ (-)-(1S,4S)-Borneol $$ ((1S)-endo)-(-)-Borneol $$ l-2-Bornanol $$ 1-Bornyl alcohol $$ l-2-Camphanol $$ (2R)-(-)-Borneol $$ (1S,2R,4S)-Borneol $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
274143
67
95
110121 139
OHMe
Me
Me
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:27 R.Time:16.385(Scan#:2678) MassPeaks:268 RawMode:Averaged 16.380-16.390(2677-2679) BasePeak:71.05(7573)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 48035
41
67
71
93111
112 136 149 169 184 197 220 235 264 286 300 314 335 348 375 393 415 430 448 473 488
Hit#:1 Entry:43757 Library:WILEY7.LIBSI:97 Formula:C10 H18 O CAS:562-74-3 MolWeight:154 RetIndex:0CompName:3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- (CAS) 4-Terpineol $$ 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-ol $$ para-Menth-1-en-4-ol $$ 1-para-Menthen-4-ol $$ Terpinenol-4 $$ Terpinenolu-4 $$ 4-Methyl-1-isopropyl-3-cyclohexen-1-ol $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
27
41
43
69
71
93111
112 136 154
OHPr-i
Me
Hit#:2 Entry:43760 Library:WILEY7.LIBSI:94 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 $$ Terpene-4-ol $$ para-Menth-1-en-4-ol $$ 1-para-Menthen-4-ol $$ Terpinenol-4 $$ Terpinenolu-4 $$ 4-Methyl-1-isopropyl-3-cyclohexen-1-ol $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
27
41
43
69
71
93 111
121 136154
OHPr-i
Me
Hit#:3 Entry:9409 Library:NIST27.LIBSI:94 Formula:C10H18O CAS:562-74-3 MolWeight:154 RetIndex:0CompName:3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
27
41
43
69
71
93 111
121 136154
HO
Hit#:4 Entry:43758 Library:WILEY7.LIBSI:93 Formula:C10 H18 O CAS:562-74-3 MolWeight:154 RetIndex:0CompName:3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- (CAS) 4-Terpineol $$ 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-ol $$ para-Menth-1-en-4-ol $$ 1-para-Menthen-4-ol $$ Terpinenol-4 $$ Terpinenolu-4 $$ 4-Methyl-1-isopropyl-3-cyclohexen-1-ol $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
27
41
69
71
93111
121 136 154
OHPr-i
Me
Hit#:5 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 $$ Terpene-4-ol $$ para-Menth-1-en-4-ol $$ 1-para-Menthen-4-ol $$ Terpinenol-4 $$ Terpinenolu-4 $$ 4-Methyl-1-isopropyl-3-cyclohexen-1-ol $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
394143
69
71
93111
121 136154
OHPr-i
Me
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:28 R.Time:17.045(Scan#:2810) MassPeaks:292 RawMode:Averaged 17.040-17.050(2809-2811) BasePeak:59.05(8478)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 48037
41
43
59
81
93
107
121136
140 167 188 205 222 250 278 292 310 328 340 363373 390 417 433 461471 483
Hit#:1 Entry:43775 Library:WILEY7.LIBSI:98 Formula:C10 H18 O CAS:98-55-5 MolWeight:154 RetIndex:0CompName:3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl- (CAS) CYCLOHEXENE, 1-METHYL-4-(2-PROPANOL-2-YL)- $$ 4-(1-HYDROXY-1-METHYLETHYL)-1-METHYLCYCLOHEXENE $$ .alpha.-Terpineol $$ l-.alpha.-Terpineol $$ 3-Cyclohexene-1-methanol, .alpha.,.alpha.4-trimethyl- $$ p-Menth-1-en-8-ol $$ Terpineol schlechthin $$ Terpineol $$ TERPINEOL, .alpha. $$ Terpenol $$ .alpha.-Terpinol $$ 1-p-Menthen-8-ol $$ Terpineol 350 $$ 2-(4-Methyl-3-cyclohexenyl)-2-propanol $$ .alpha.,.alpha.,4-Trimethyl-3-cyclohexene-1-methanol $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
2741
43
59
81
93
107
121136
CMe2OH
Me
Hit#:2 Entry:43785 Library:WILEY7.LIBSI:95 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) $$ l-.alpha.-Terpineol $$ .alpha.-Terpineol, (-)- $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
2741
43
59
81
93
107
121136
CMe2OH
Me
Hit#:3 Entry:16688 Library:NIST147.LIBSI:95 Formula:C10H18O CAS:0-00-0 MolWeight:154 RetIndex:0CompName:p-menth-1-en-8-ol $$ 2-(4-Methyl-3-cyclohexen-1-yl)-2-propanol # $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
2741
43
59
81
93
107
121136
OH
Hit#:4 Entry:16687 Library:NIST147.LIBSI:94 Formula:C10H18O CAS:0-00-0 MolWeight:154 RetIndex:0CompName:p-menth-1-en-8-ol $$ 2-(4-Methyl-3-cyclohexen-1-yl)-2-propanol # $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
27 41
43
59
8193
107
121 136
OH
Hit#:5 Entry:43776 Library:WILEY7.LIBSI:94 Formula:C10 H18 O CAS:98-55-5 MolWeight:154 RetIndex:0CompName:3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl- (CAS) CYCLOHEXENE, 1-METHYL-4-(2-PROPANOL-2-YL)- $$ 4-(1-HYDROXY-1-METHYLETHYL)-1-METHYLCYCLOHEXENE $$ .alpha.-Terpineol $$ l-.alpha.-Terpineol $$ 3-Cyclohexene-1-methanol, .alpha.,.alpha.4-trimethyl- $$ p-Menth-1-en-8-ol $$ Terpineol schlechthin $$ Terpineol $$ TERPINEOL, .alpha. $$ Terpenol $$ .alpha.-Terpinol $$ 1-p-Menthen-8-ol $$ Terpineol 350 $$ 2-(4-Methyl-3-cyclohexenyl)-2-propanol $$ .alpha.,.alpha.,4-Trimethyl-3-cyclohexene-1-methanol $$ 100
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480
2741
43
59
81
93
107
121 136
CMe2OH
Me
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:29 R.Time:17.260(Scan#:2853) MassPeaks:236 RawMode:Averaged 17.255-17.265(2852-2854) BasePeak:121.10(699)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
36
41
43
6779
93
107
121
136
149 175 202 233 261 288 305 333 345 358 373 403 418 444 467 484 500
Hit#:1 Entry:16777 Library:NIST147.LIBSI:85 Formula:C10H18O CAS:586-81-2 MolWeight:154 RetIndex:0CompName:Cyclohexanol, 1-methyl-4-(1-methylethylidene)- $$ .gamma.-Terpineol $$ 1-Methyl-4-(1-methylethylidene)cyclohexanol # $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
4167
81
93
107
121
136
154
OH
Hit#:2 Entry:44015 Library:WILEY7.LIBSI:85 Formula:C10 H18 O CAS:586-81-2 MolWeight:154 RetIndex:0CompName:GAMMA-TERPINEOL $$ .gamma.-terpineol $$ Cyclohexanol, 1-methyl-4-(1-methylethylidene)- $$ p-Menth-4(8)-en-1-ol (CAS) 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
4167
81
93
107
121
136
154
Hit#:3 Entry:91074 Library:WILEY7.LIBSI:85 Formula:C12 H20 O2 CAS:76-49-3 MolWeight:196 RetIndex:0CompName:ENDOBORNYL ACETATE $$ Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo- (CAS) Bornyl acetate $$ Borneol acetate $$ Borneol, acetate $$ Bornyl acetic ether $$ 2-Camphanol acetate $$ endo-2-Camphanyl ethanoate $$ 1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol acetate $$ Bornyl acetic ester $$ Bornyl ethanoate $$ Borneyl acetate $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
43
67 79
93
107
121
136
154
OAcMe
Me
Me
Hit#:4 Entry:26364 Library:WILEY7.LIBSI:84 Formula:C10 H16 CAS:514-95-4 MolWeight:136 RetIndex:0CompName:2,6,6-TRIMETHYL-1-METHYLEN-CYCLOHEX-2-ENE $$ Cyclohexene, 1,5,5-trimethyl-6-methylene- (CAS) .gamma.-Pyronene $$ 1,5,5-TRIMETHYL-6-METHYLENE-CYCLOHEXENE $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
2741
55 67
79
93
107
121
136
MeMe
CH2Me
Hit#:5 Entry:9537 Library:NIST147.LIBSI:84 Formula:C10H16 CAS:514-95-4 MolWeight:136 RetIndex:0CompName:1,5,5-Trimethyl-6-methylene-cyclohexene $$ 1,5,5-Trimethyl-6-methylene-1-cyclohexene # $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
2741
55 67
79
93
107
121
136
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:30 R.Time:20.105(Scan#:3422) MassPeaks:272 RawMode:Averaged 20.100-20.110(3421-3423) BasePeak:162.05(1298)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 47035
3951
63
77
91
104
121
131
149
162
172 188 207 221 238 257267 292 309 323 349 371 385395 408 430440 461471 485
Hit#:1 Entry:51546 Library:WILEY7.LIBSI:92 Formula:C10 H10 O2 CAS:94-59-7 MolWeight:162 RetIndex:0CompName:1,3-Benzodioxole, 5-(2-propenyl)- (CAS) Safrole $$ 1-(1-PROPENYL)-3,4-METHYLENEDIOXYBENZE $$ 1-ALLYL-3,4-METHYLENE-DIOXYBENZENE $$ Safrol $$ Safrene $$ Shikomol $$ Shikimole $$ Rhyuno oil $$ Safrole MF $$ Allylcatechol methylene ether $$ 3,4-Methylenedioxy-allylbenzene $$ Allylpyrocatecholmethylene ether $$ 1-Allyl-3,4-methylenedioxybenzene $$ Allyldioxybenzene methylene ether $$ 4-Allyl-1,2-(methylenedioxy)benzene $$ m-Allylpyrocatechinmethylene ether $$ 5-Allyl-1,3-benzodioxolerlet DS Base $$ Benzene, 4-100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
37
39
51
63
77
91
104
119
131162
O
O
CH2CHH2C
Hit#:2 Entry:51545 Library:WILEY7.LIBSI:92 Formula:C10 H10 O2 CAS:94-59-7 MolWeight:162 RetIndex:0CompName:1,3-Benzodioxole, 5-(2-propenyl)- (CAS) Safrole $$ 1-(1-PROPENYL)-3,4-METHYLENEDIOXYBENZE $$ 1-ALLYL-3,4-METHYLENE-DIOXYBENZENE $$ Safrol $$ Safrene $$ Shikomol $$ Shikimole $$ Rhyuno oil $$ Safrole MF $$ Allylcatechol methylene ether $$ 3,4-Methylenedioxy-allylbenzene $$ Allylpyrocatecholmethylene ether $$ 1-Allyl-3,4-methylenedioxybenzene $$ Allyldioxybenzene methylene ether $$ 4-Allyl-1,2-(methylenedioxy)benzene $$ m-Allylpyrocatechinmethylene ether $$ 5-Allyl-1,3-benzodioxolerlet DS Base $$ Benzene, 4-100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
37
39
51
63
77
91
104
119
131162
O
O
CH2CHH2C
Hit#:3 Entry:20158 Library:NIST147.LIBSI:89 Formula:C10H10O2 CAS:17627-76-8 MolWeight:162 RetIndex:0CompName:1,3-Benzodioxole, 5-(1-propenyl)-, (Z)- $$ Benzene, 1,2-(methylenedioxy)-4-propenyl-, (Z)- $$ .alpha.-Isosafrole $$ cis-Isosafrole $$ cis-1,2-(Methylenedioxy)-4-propenylbenzene $$ 5-[(1Z)-1-Propenyl]-1,3-benzodioxole # $$ 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
41
5163
77
91
104
119
131
162 OO
Hit#:4 Entry:51543 Library:WILEY7.LIBSI:89 Formula:C10 H10 O2 CAS:94-59-7 MolWeight:162 RetIndex:0CompName:1,3-Benzodioxole, 5-(2-propenyl)- (CAS) Safrole $$ 1-(1-PROPENYL)-3,4-METHYLENEDIOXYBENZE $$ 1-ALLYL-3,4-METHYLENE-DIOXYBENZENE $$ Safrol $$ Safrene $$ Shikomol $$ Shikimole $$ Rhyuno oil $$ Safrole MF $$ Allylcatechol methylene ether $$ 3,4-Methylenedioxy-allylbenzene $$ Allylpyrocatecholmethylene ether $$ 1-Allyl-3,4-methylenedioxybenzene $$ Allyldioxybenzene methylene ether $$ 4-Allyl-1,2-(methylenedioxy)benzene $$ m-Allylpyrocatechinmethylene ether $$ 5-Allyl-1,3-benzodioxolerlet DS Base $$ Benzene, 4-100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
2739
51
63
77
91
104
119
131
162
O
O
CH2CHH2C
Hit#:5 Entry:10635 Library:NIST27.LIBSI:88 Formula:C10H10O2 CAS:94-59-7 MolWeight:162 RetIndex:0CompName:1,3-Benzodioxole, 5-(2-propenyl)-100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
2739
51
63
77
91
104
119
131
147
162
O
O
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:31 R.Time:22.065(Scan#:3814) MassPeaks:284 RawMode:Averaged 22.060-22.070(3813-3815) BasePeak:105.05(684)BG Mode:Calc. from Peak Group 1 - Event 1
100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
36
41
43
6777
91
105 119
133147
161
174 189 204 222 242 260 290 317 332 362 375 400 414 427437 450 468 480 495
Hit#:1 Entry:101059 Library:WILEY7.LIBSI:91 Formula:C15 H24 CAS:3856-25-5 MolWeight:204 RetIndex:0CompName:.alpha.-Copaene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer (CAS) Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, st (CAS) Copaene $$ Copaen $$ (-)-.alpha.-Copaene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl-, (1R,2S,6S,7S,8S)-(-)- $$ (-)-Copaene $$ Aglaiene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl- $$ Tricyclo[4.4.0.02,7]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer (CAS) Tricyclo[4.4.0.02,7]dec-3-ene, 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
39
41
55
65
77
91
105 119
133145
161
189204
MeMe
i-Pr
Hit#:2 Entry:101062 Library:WILEY7.LIBSI:90 Formula:C15 H24 CAS:3856-25-5 MolWeight:204 RetIndex:0CompName:.alpha.-Copaene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer (CAS) Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, st (CAS) Copaene $$ Copaen $$ (-)-.alpha.-Copaene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl-, (1R,2S,6S,7S,8S)-(-)- $$ (-)-Copaene $$ Aglaiene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl- $$ Tricyclo[4.4.0.02,7]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer (CAS) Tricyclo[4.4.0.02,7]dec-3-ene, 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
39
41
4365
77
91
105 119
133
161
204
MeMe
i-Pr
Hit#:3 Entry:101061 Library:WILEY7.LIBSI:89 Formula:C15 H24 CAS:3856-25-5 MolWeight:204 RetIndex:0CompName:.alpha.-Copaene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer (CAS) Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, st (CAS) Copaene $$ Copaen $$ (-)-.alpha.-Copaene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl-, (1R,2S,6S,7S,8S)-(-)- $$ (-)-Copaene $$ Aglaiene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl- $$ Tricyclo[4.4.0.02,7]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer (CAS) Tricyclo[4.4.0.02,7]dec-3-ene, 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
39
41
4367
77
91
105 119
133145
161
204
MeMe
i-Pr
Hit#:4 Entry:16765 Library:NIST27.LIBSI:89 Formula:C15H24 CAS:3856-25-5 MolWeight:204 RetIndex:0CompName:Copaene100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
27
41
5569
81
93
105 119
133 147
161
189204
Hit#:5 Entry:101060 Library:WILEY7.LIBSI:87 Formula:C15 H24 CAS:3856-25-5 MolWeight:204 RetIndex:0CompName:.alpha.-Copaene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer (CAS) Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, st (CAS) Copaene $$ Copaen $$ (-)-.alpha.-Copaene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl-, (1R,2S,6S,7S,8S)-(-)- $$ (-)-Copaene $$ Aglaiene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl- $$ Tricyclo[4.4.0.02,7]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer (CAS) Tricyclo[4.4.0.02,7]dec-3-ene, 100
20 50 80 110 140 170 200 230 260 290 320 350 380 410 440 470
39
41
5569
81
93
105 119
133 147
161
189204
MeMe
i-Pr
-
C:\GCMSsolution\Data\Project1\17062013\-4.aa.qgd
>Line#:32 R.Time:22.560(Scan#:3913) MassPeaks:287 RawMode:Averaged 22.555-22.565(3912-3914) BasePeak:178.05(4237)BG Mode:Calc. from Peak Group 1 - Event 1
100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
37
3951 65
77
91103
115 135
147163
178
185 204 222 249 261 275 289 305 334 360 385 404 427 442 456 471 489
Hit#:1 Entry:69411 Library:WILEY7.LIBSI:94 Formula:C11 H14 O2 CAS:93-15-2 MolWeight:178 RetIndex:0CompName:Benzene, 1,2-dimethoxy-4-(2-propenyl)- (CAS) Methyleugenol $$ Methyl Eugenol $$ 1-Allyl-3,4-dimethoxybenzene $$ Ent 21040 $$ O-Methyleugenol $$ 4-Allylveratrole $$ Methyl eugenol ether $$ Eugenol methyl ether $$ Eugenyl methyl ether $$ Veratrole methyl ether $$ 3,4-Dimethoxyallylbenzene $$ 1,3,4-Eugenol methyl ether $$ 1,2-Dimethoxy-4-allylbenzene $$ 4-Allyl-1,2-dimethoxybenzene $$ Benzene, 4-allyl-1,2-dimethoxy- $$ 1-(3,4-Dimethoxyphenyl)-2-propene $$ EUGENOL METHYL ESTHER $$ 1,2-Dimethoxy-4-(2-propenyl)b100
10 30 50 70 90 110 130 150 170 190 210 230 250 270 290 310 330 350 370 390 410 430 450 470 490
3951
6577
91107
115 135
147163
178
CH2CH