KEMENTRIAN RISET, TEKNOLOGI DAN PENDIDIKAN TINGGI

UNIVERSITAS BRAWIJAYA
LABORATORIUM SENTRAL ILMU HAYATI
Jl Veteran, Malang 65145, Indonesia
Telp/Fax. +62341 559054
http://lsih.ub.ac.id Email : laboratoriumsentral@Ub.ac.id ; laboratoriumsentral@gmail.com

Chromatogram R-FR-B1 C:\GCMSsolution\Data\Project1\22042021\R-FR-B1.qgd

TIC
5,000,000
20.684

24.303

28.982 28.853
28.375
28.158
19.921

23.571
23.356

27.355

41.959
40.140
27.000

27.822

38.936
20.895

41.349
40.340
24.553

25.808

41.414
31.392
31.094

39.633

40.802
41.243
29.606

40.020
26.675

29.729
25.021

30.126

38.431
20.054

23.953

37.161
36.427
20.0 30.0 40.0 42.0
min

Quantitative Result Table

ID# Name R.Time m/z Area Height Conc. Conc.Unit R.Index
1 .beta.-Citronellol 19.922 41.00 419112 124381 3.684 % 0
2 Z-Citral 20.052 41.00 54143 12717 0.476 % 0
3 Nerol (CAS) 20.684 41.00 4947640 1284137 43.494 % 0
4 2-BUTENE, 2,3-DIMETHYL- 20.895 41.00 332267 55625 2.921 % 0
5 Phenol, 2-methoxy-4-(2-propenyl)- (CAS) 23.357 164.00 241477 62199 2.123 % 0
6 Citronellyl acetate 23.570 43.00 239900 72951 2.109 % 0
7 TETRAHYDROXYBENZENE 4TMS 23.955 342.00 20550 6888 0.181 % 0
8 Geranyl acetate 24.302 41.00 1714110 506862 15.069 % 0
9 4-Nitroso-3-methyl-6-isopropylphenol 24.555 179.00 54993 23110 0.483 % 0
10 (-)-.beta.-Elemene 25.020 41.00 12373 4152 0.109 % 0
11 trans-Caryophyllene 25.809 41.00 68843 18746 0.605 % 0
12 .alpha.-Humulene (CAS) 26.670 41.00 45482 9295 0.400 % 0
13 1-(METHOXYMETHYL)-4-(1-METHOXY-1-METHYLETHYL)BENZENE 27.004 179.00 227315 57714 1.998 % 0
14 Germacrene D 27.372 161.00 105008 40177 0.923 % 0
15 1H-CYCLOPROP[E]AZULENE, DECAHYDRO-1,1,7-TRIMETHYL-4-METHYLENE-,
27.823 41.00 [1AR-(1A.ALPHA.,4A.ALPHA.,7.ALPHA.,7A.BETA.,7B.ALPHA.)]-
72654 17631 0.639 % 0
16 Calarene 28.159 161.00 342312 119324 3.009 % 0
17 .delta.-Cadinene (CAS) 28.375 205.00 344465 96587 3.028 % 0
18 Elemol 28.853 59.00 378409 101644 3.327 % 0
19 Geranyl acetate 28.983 41.00 185045 52882 1.627 % 0
20 GERMACRENE D-4-OL 29.607 43.00 53789 13419 0.473 % 0
21 (-)-Caryophyllene oxide 29.725 41.00 36179 9742 0.318 % 0
22 N-(4-Acetamidophenyl)-1-adamantanecarboxamide 30.126 41.00 31033 8811 0.273 % 0
23 .TAU.-CADINOL 31.099 43.00 71072 14624 0.625 % 0
24 .ALPHA.-BISABOLOL 31.389 43.00 79610 17372 0.700 % 0
25 TETRAHYDROXYBENZENE 4TMS 36.426 430.00 7497 2518 0.066 % 0
26 Nerol (CAS) 37.160 41.00 17819 6210 0.157 % 0
27 Cyclopropanemethanol, 2-methyl-2-(4-methyl-3-pentenyl)- 38.433 41.00 35258 8782 0.310 % 0
28 E-Citral 38.935 41.00 119977 30414 1.055 % 0
29 1,6-HEPTADIENE, 3,5-DIMETHYL- 39.630 41.00 84693 18984 0.745 % 0
30 trans-Geraniol 40.018 41.00 66895 15568 0.588 % 0
31 Nerol (CAS) 40.140 41.00 232978 51954 2.048 % 0
32 Nerol (CAS) 40.340 41.00 132798 25952 1.167 % 0
33 Nerol (CAS) 40.799 41.00 59301 13830 0.521 % 0
34 Nerol (CAS) 41.248 41.00 49515 11183 0.435 % 0
35 Pentane, 1,4-dibromo- (CAS) 41.347 41.00 128280 30655 1.128 % 0
36 Ethanone, 1-(1,2,2,3-tetramethylcyclopentyl)-, (1R-cis)- 41.407 41.00 72796 17262 0.640 % 0
37 Nerol (CAS) 41.959 41.00 289787 72589 2.547 % 0

Library
<< Target >>
Line#:1 R.Time:19.920(Scan#:3185) MassPeaks:475
RawMode:Averaged 19.915-19.925(3184-3186) BasePeak:41.30(119143)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
60
40 55 69

20 81
30 95 109 138 157
179 208 238 261276 297 321 345 363379 397 417 438 475 498 524 560 585 603 630 654 686 704 742 759 776

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:1 Entry:61710 Library:Wiley9.lib
SI:88 Formula:C10H20O CAS:106-22-9 MolWeight:156 RetIndex:0
CompName:.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-CITR
100 41
80 69
60 HO
55 82
40
95
20 27 53 71 109 156
19 86 138

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:2 Entry:8266 Library:Wiley9.lib
SI:88 Formula:C6H12O CAS:928-97-2 MolWeight:100 RetIndex:0
CompName:3-HEXEN-1-OL $$ 3-HEXEN-1-OL, (E)- $$ (3E)-3-HEXEN-1-OL # $$ (3E)-3-HEXEN-1-OL $$ (3E)-3-HEXEN-1-OL (COMPUTER-GENERATED NAME) $$ (E)-3-HEXEN-1-OL $$ (
100 41
80
60
OH
40 55
67
27 82
20
43
37 58 7783 100

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:3 Entry:8272 Library:Wiley9.lib
SI:87 Formula:C6H12O CAS:928-97-2 MolWeight:100 RetIndex:0
CompName:3-Hexen-1-ol, (E)- (CAS) $$ E-3-Hexenol $$ trans-3-Hexen-1-ol $$ trans-3-Hexenol $$ (E)-3-Hexenol $$ (E)-Hex-3-en-1-ol $$ (3E)-3-Hexen-1-ol $$ 3-HEXEN-1-OL $$ (3E)-3-HEXEN-1
100 41
80
60 67
69 OH
40 55 82
27
20
3844 63 7784 100

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:4 Entry:61708 Library:Wiley9.lib
SI:87 Formula:C10H20O CAS:106-22-9 MolWeight:156 RetIndex:0
CompName:.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-CITR
100 41
80 69
60 HO
55
40 81
95
27 43 71
20 57 109
85 99 138 156

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:5 Entry:8270 Library:Wiley9.lib
SI:87 Formula:C6H12O CAS:544-12-7 MolWeight:100 RetIndex:0
CompName:3-Hexen-1-ol (CAS) $$ 3-Hexen-1-ol (c,t) $$ (3E)-3-Hexen-1-ol $$ 3 - hexen - 1 - ol, WITHOUT STEREOCHEMISTRY $$ HEX-3-EN-1-OL $$ (3E)-3-HEXEN-1-OL # $$ (3E)-3-HEXEN
100 41
80
60
67 OH
40 55
27 39 82
20 70
18 45 100

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
Line#:2 R.Time:20.055(Scan#:3212) MassPeaks:419
RawMode:Averaged 20.050-20.060(3211-3213) BasePeak:41.30(7101)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
60
40 69
20 43
32 81 95 109 137 156 174 191 221 245 277 297 327 358 385 416432 455 477 506 539 564 588 613 635 665 696 727 748 782 799

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:54079 Library:Wiley9.lib
SI:88 Formula:C10H16O CAS:106-26-3 MolWeight:152 RetIndex:0
CompName:Z-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (Z)- (CAS) $$ Neral $$ .beta.-Citral $$ cis-Citral $$ Citral b $$ cis-3,7-Dimethyl-2,6-octadienal $$ (Z)-3,7-Dimethyl-2,6-octadienal $$ citral-b $$
100 41
80 H
60 69
O
40 39

20 53 67
45 77 91 107

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:54053 Library:Wiley9.lib
SI:87 Formula:C10H16O CAS:141-27-5 MolWeight:152 RetIndex:0
CompName:E-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (E)- (CAS) $$ Geranial $$ trans-Citral $$ Citral a $$ Citral-a $$ (E)-Citral $$ Geranaldehyde $$ .alpha.-Citral $$ trans-3,7-Dimethyl-2,6-octadien
100 41 O
80 69
H
60
40
20 53 84
43 65 77 109 137

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:35821 Library:Wiley9.lib
SI:87 Formula:C9H14O CAS:557-48-2 MolWeight:138 RetIndex:0
CompName:2,6-Nonadienal, (E,Z)- (CAS) $$ 2-trans-6-cis-Nonadienal $$ 2-trans-6-cis-Nonadien-1-al $$ Nonadien-2(trans)-6-(cis)-al $$ 2-(trans)-6-(cis)-Nonadienal $$ 2,6-Nonadienal $$ trans,cis-2,
100 41
80
O
60
70
40
27
20
4253
65 77 94 109

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:36022 Library:Wiley9.lib
SI:87 Formula:C9H14O CAS:557-48-2 MolWeight:138 RetIndex:0
CompName:TRANS-2-CIS-6-NONADIENAL $$ 2,6-NONADIENAL, (E,Z)- $$ NONA-2,6-DIENAL $$ (2E,6Z)-2,6-NONADIENAL # $$ (2E,6Z)-2,6-NONADIENAL $$ (2E,6Z)-2,6-NONADIENAL
100 41
80
O
60 70
40
20 27
4253
30 65 77 94 109

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:54068 Library:Wiley9.lib
SI:86 Formula:C10H16O CAS:5392-40-5 MolWeight:152 RetIndex:0
CompName:Citral $$ 2,6-Octadienal, 3,7-dimethyl- (CAS) $$ 3,7-Dimethyl-2,6-octadienal $$ 3,7-Dimethyl-1-2,6-octadienal $$ Citral,c&t $$ cis,trans-Citral $$ Geranial $$ NCI-C56348 $$ 3,7-Dimeth
100 41
69
80 H
60
O
40
27 39
84
20 53 67 81 109
24 96 137152

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:3 R.Time:20.685(Scan#:3338) MassPeaks:456
RawMode:Averaged 20.680-20.690(3337-3339) BasePeak:41.30(1245762)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
60 69
40
20 53
30 70 84 111 139 176 193 210 233 259 289 314 340356 373 402418 446 463 480 505 528 551 571 590 610 639 663 681 708 732 749 780 800

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:1 Entry:57903 Library:Wiley9.lib
SI:91 Formula:C10H18O CAS:106-25-2 MolWeight:154 RetIndex:0
CompName:Nerol (CAS) $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- (CAS) $$ cis-Geraniol $$ Neryl alcohol $$ Geranyl Alcohol $$ cis-3,7-Dimethyl-2,6-octadien-1-ol $$ 2-cis-3,7-Dimethyl-2,6-octadie
100 41
80
60 HO
69
40
20 27 93
43 5565 77
31 97 119

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:2 Entry:57917 Library:Wiley9.lib
SI:91 Formula:C10H18O CAS:106-24-1 MolWeight:154 RetIndex:0
CompName:trans-Geraniol $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (E)- (CAS) $$ Guaniol $$ Lemonol $$ Geraniol $$ Geranyl alcohol $$ 2,6-Dimethyl-2,6-octadien-8-ol $$ 2,6-dimethyloctane-2,6-dien-8
100 41
80
69
60 HO

40 18
27 93
20
51 67 79 91 105 121 154

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:3 Entry:57921 Library:Wiley9.lib
SI:90 Formula:C10H18O CAS:106-24-1 MolWeight:154 RetIndex:0
CompName:trans-Geraniol $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (E)- (CAS) $$ Guaniol $$ Lemonol $$ Geraniol $$ Geranyl alcohol $$ 2,6-Dimethyl-2,6-octadien-8-ol $$ 2,6-dimethyloctane-2,6-dien-8
100 41 69
80
60 HO

40
20 27
43
57 71 84 111 136 154

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:4 Entry:8501 Library:Wiley9.lib
SI:90 Formula:C6H12O CAS:763-89-3 MolWeight:100 RetIndex:0
CompName:3-Penten-1-ol, 4-methyl- $$ 4-Methyl-3-penten-1-ol
100 41
80
60 69
OH
40
20 55 67
27 100
3844 74

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:5 Entry:57925 Library:Wiley9.lib
SI:89 Formula:C10H18O CAS:106-24-1 MolWeight:154 RetIndex:0
CompName:trans-Geraniol $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (E)- (CAS) $$ Guaniol $$ Lemonol $$ Geraniol $$ Geranyl alcohol $$ 2,6-Dimethyl-2,6-octadien-8-ol $$ 2,6-dimethyloctane-2,6-dien-8
100 41 69
80
60 HO

40
20 43
57 79 91 111

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
Line#:4 R.Time:20.895(Scan#:3380) MassPeaks:364
RawMode:Averaged 20.890-20.900(3379-3381) BasePeak:41.30(26636)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
60
69
40
20 53
30 70 84 110 137 154 171 193 211 227 244 264 292 312 332 361 382 401 420 444 466 487 506 524 541 558 587 606 627 651 672 708 732 750 770

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:1 Entry:3448 Library:Wiley9.lib
SI:91 Formula:C6H12 CAS:563-79-1 MolWeight:84 RetIndex:0
CompName:2-BUTENE, 2,3-DIMETHYL- $$ 2,3-DIMETHYLBUT-2-ENE $$ (CH3)2C=C(CH3)2 $$ 1,1,2,2-TETRAMETHYLETHYLENE $$ 2, 3-DIMETHYL-2-BUTENE $$ 2,3-DIMETHYL-2-B
100 41
80
60 69

40
39
20 84
27 55
2232 44 62 77

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:2 Entry:54053 Library:Wiley9.lib
SI:91 Formula:C10H16O CAS:141-27-5 MolWeight:152 RetIndex:0
CompName:E-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (E)- (CAS) $$ Geranial $$ trans-Citral $$ Citral a $$ Citral-a $$ (E)-Citral $$ Geranaldehyde $$ .alpha.-Citral $$ trans-3,7-Dimethyl-2,6-octadien
100 41 O
80 69
H
60
40
20 84
43 5565 77 94 109 137

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:3 Entry:3418 Library:Wiley9.lib
SI:91 Formula:C6H12 CAS:691-38-3 MolWeight:84 RetIndex:0
CompName:2-Pentene, 4-methyl-, (Z)- (CAS) $$ 4-METHYL-CIS-PENT-2-ENE $$ 4-Methyl-2-cis-pentene $$ (Z)-4-Methyl-2-pentene $$ cis-4-Methyl-2-pentene $$ 4-Methyl-cis-2-pentene $$ (Z)-(C
100 41
80
60 69

40
39
27
20 84
15 29 55
44 6774

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:4 Entry:3425 Library:Wiley9.lib
SI:90 Formula:C6H12 CAS:674-76-0 MolWeight:84 RetIndex:0
CompName:2-Pentene, 4-methyl-, (E)- (CAS) $$ 4-Methyl-trans-2-pentene $$ (E)-4-Methyl-2-pentene $$ trans-4-Methyl-2-pentene $$ 4-Methyl-2-pentene $$ (E)-(CH3)2CHCH=CHCH3 $$ trans 4-m
100 41
80
69
60
40
27 39
20 55
84
15 29 6772 83
44

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:5 Entry:3403 Library:Wiley9.lib
SI:90 Formula:C6H12 CAS:625-27-4 MolWeight:84 RetIndex:0
CompName:2-Pentene, 2-methyl- (CAS) $$ 2-Methyl-2-pentene $$ 4-Methyl-3-pentene $$ (CH3)2C=CHC2H5 $$ 2-Methyl-pentene-2 $$ 2 - methyl - 2 - pentene $$ 2-METHYLPENT-2-ENE $$ 2-ME
100 41
80
69
60
40
27 39 84
20 55
15 29
32 44 637383

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
Line#:5 R.Time:23.355(Scan#:3872) MassPeaks:443
RawMode:Averaged 23.350-23.360(3871-3873) BasePeak:164.55(58891)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 164
80
60
40 39
55
149
77
20 65
91
121
30 180 208 225 247 276 305 331 357 380 411 432 453 486 507 527 545 571 592608 636 666 687701 722 752 775

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:72305 Library:Wiley9.lib
SI:91 Formula:C10H12O2 CAS:97-53-0 MolWeight:164 RetIndex:0
CompName:Phenol, 2-methoxy-4-(2-propenyl)- (CAS) $$ Eugenol $$ 1-(2-PROPENYL)-4-HYDROXY-3-METHOXYBENZENE $$ Engenol $$ p-Eugenol $$ Eugenic acid $$ 4-Allylguaiacol $$ p-A
100 164
OH
80
60
40 77 149 O
55 91
20 39 121 137
104
29 41 63 81
115 152

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:72294 Library:Wiley9.lib
SI:91 Formula:C10H12O2 CAS:97-54-1 MolWeight:164 RetIndex:0
CompName:Phenol, 2-methoxy-4-(1-propenyl)- (CAS) $$ Isoeugenol $$ 2-METHOXY-4-(PROP-1-ENYL)-PHENOL $$ iso-Eugenol $$ 4-Propenylguaiacol $$ 2-Methoxy-4-propenylphenol $$ Pheno
100 164
OH
80
60
40 77 149 O
91103
20 27 39 51 65 121 137
78 94 150 166
31 115

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:72307 Library:Wiley9.lib
SI:90 Formula:C10H12O2 CAS:97-53-0 MolWeight:164 RetIndex:0
CompName:Phenol, 2-methoxy-4-(2-propenyl)- (CAS) $$ Eugenol $$ 1-(2-PROPENYL)-4-HYDROXY-3-METHOXYBENZENE $$ Engenol $$ p-Eugenol $$ Eugenic acid $$ 4-Allylguaiacol $$ p-A
100 164
OH
80
60 149
40 55
77 O
103
91 121 137
20 27
39 51
65 165
94 115 147

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:72306 Library:Wiley9.lib
SI:90 Formula:C10H12O2 CAS:97-53-0 MolWeight:164 RetIndex:0
CompName:Phenol, 2-methoxy-4-(2-propenyl)- (CAS) $$ Eugenol $$ 1-(2-PROPENYL)-4-HYDROXY-3-METHOXYBENZENE $$ Engenol $$ p-Eugenol $$ Eugenic acid $$ 4-Allylguaiacol $$ p-A
100 164
OH
80
60
40 O
149
20 39 51 65
77
91
103 131
102115 138 166

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:72309 Library:Wiley9.lib
SI:90 Formula:C10H12O2 CAS:97-53-0 MolWeight:164 RetIndex:0
CompName:Phenol, 2-methoxy-4-(2-propenyl)- (CAS) $$ Eugenol $$ 1-(2-PROPENYL)-4-HYDROXY-3-METHOXYBENZENE $$ Engenol $$ p-Eugenol $$ Eugenic acid $$ 4-Allylguaiacol $$ p-A
100 164
OH
80
60 149
40 55
77 O
103
91 121
20 39 51
65
102115 138 166

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:6 R.Time:23.570(Scan#:3915) MassPeaks:414
RawMode:Averaged 23.565-23.575(3914-3916) BasePeak:43.30(70679)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
60
67
40
81
20 95
109
138
30 150165 193 214 231 260 290 310 337 354 376392 411 432 457 477 496 529 556 573 594 612 637 660 679 712 731 756 773 799

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:138727 Library:Wiley9.lib
SI:90 Formula:C12H22O2 CAS:150-84-5 MolWeight:198 RetIndex:0
CompName:Citronellyl acetate $$ 6-Octen-1-ol, 3,7-dimethyl-, acetate (CAS) $$ Citronellol acetate (CAS) $$ Natural rhodinol, acetylated $$ 3,7-Dimethyl-6-octenyl acetate $$ .beta.-Citronellyl acetat
100
41
80 69
O
60 81
55 95
40 O
123
20 27 109 138
5361 96
31 73 84

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:138723 Library:Wiley9.lib
SI:89 Formula:C12H22O2 CAS:150-84-5 MolWeight:198 RetIndex:0
CompName:Citronellyl acetate $$ 6-Octen-1-ol, 3,7-dimethyl-, acetate (CAS) $$ Citronellol acetate (CAS) $$ Natural rhodinol, acetylated $$ 3,7-Dimethyl-6-octenyl acetate $$ .beta.-Citronellyl acetat
100 41
80 69
O
60 81
55 95
40 123
O

20 109 138
27 53
31 61 73 87 101 139

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:138728 Library:Wiley9.lib
SI:88 Formula:C12H22O2 CAS:150-84-5 MolWeight:198 RetIndex:0
CompName:Citronellyl acetate $$ 6-Octen-1-ol, 3,7-dimethyl-, acetate (CAS) $$ Citronellol acetate (CAS) $$ Natural rhodinol, acetylated $$ 3,7-Dimethyl-6-octenyl acetate $$ .beta.-Citronellyl acetat
100 41
80 69
81 O
60 95
55 123
40 138
O
109
20 53
61 73 139
85 97

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:269790 Library:Wiley9.lib
SI:88 Formula:C16H30O2 CAS:20711-10-8 MolWeight:254 RetIndex:0
CompName:11-Tetradecen-1-ol, acetate, (Z)- (CAS) $$ cis-11-Tetradecenyl acetate $$ (Z)-11-Tetradecenyl acetate $$ cis-11-Tetradecen-1-ol acetate $$ (Z)-11-Tetradecen-1-ol acetate $$ cis-11-Tetradec
100 43
80
60
55 O O
40 67 82
29
20 61
96
109 166
85 137 194

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:138725 Library:Wiley9.lib
SI:87 Formula:C12H22O2 CAS:150-84-5 MolWeight:198 RetIndex:0
CompName:Citronellyl acetate $$ 6-Octen-1-ol, 3,7-dimethyl-, acetate (CAS) $$ Citronellol acetate (CAS) $$ Natural rhodinol, acetylated $$ 3,7-Dimethyl-6-octenyl acetate $$ .beta.-Citronellyl acetat
100 41 69
80
81
95 O
60
28 55
40 123
O

20 109 138
5361 96
32
7784 137

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:7 R.Time:23.955(Scan#:3992) MassPeaks:395
RawMode:Averaged 23.950-23.960(3991-3993) BasePeak:341.90(6290)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 342
80
73 430
60
40
326
20 45 147
31 59 87 103119 137 165 191 207 223 251 271287 311 353 375 392 414 434 451 472 489 522 553 577 604 631 659 682 706 723 753 778

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:1 Entry:573014 Library:Wiley9.lib
SI:69 Formula:C18H38O4Si4 CAS:0-00-0 MolWeight:430 RetIndex:0
CompName:TETRAHYDROXYBENZENE 4TMS
100 73 430
80
60
40
20 45
16 147 179 224 254 311 327 415 434
131

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:2 Entry:457047 Library:Wiley9.lib
SI:68 Formula:C15H30O3Si3 CAS:10586-12-6 MolWeight:342 RetIndex:0
CompName:Silane, [1,3,5-benzenetriyltris(oxy)]tris[trimethyl- (CAS) $$ PHLOROGLUCINOL TRITMS $$ 1,3,5-TRIHYDROXYBENZENE 1,3,5-TRITMS $$ 1,3,5-TRIHYDROXYBENZENE 3TM
100 342
73 Si
80 327 O

60
40 O

147 Si
20 45
Si O

43 63 90 119 179 207 237 253 313

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:3 Entry:457046 Library:Wiley9.lib
SI:66 Formula:C15H30O3Si3 CAS:10586-12-6 MolWeight:342 RetIndex:0
CompName:Silane, [1,3,5-benzenetriyltris(oxy)]tris[trimethyl- (CAS) $$ PHLOROGLUCINOL TRITMS $$ 1,3,5-TRIHYDROXYBENZENE 1,3,5-TRITMS $$ 1,3,5-TRIHYDROXYBENZENE 3TM
100 342
Si
80 327
73 O

60
40 O

Si
20 45
147 Si O

1828 63 91 119 156 173 221237 253 313

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:4 Entry:573017 Library:Wiley9.lib
SI:64 Formula:C18H38O4Si4 CAS:0-00-0 MolWeight:430 RetIndex:0
CompName:Benzene-1,2,4,5-tetraol tetraTMS dev
100 430
80
60
73
40
20 147
342
179 207 254 415 434

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:5 Entry:584386 Library:Wiley9.lib
SI:63 Formula:C12H36O6Si6 CAS:540-97-6 MolWeight:444 RetIndex:0
CompName:Cyclohexasiloxane, dodecamethyl- (CAS) $$ Dodecamethylcyclohexasiloxane $$ DODECAMETHYL-CYCLOHEXASILOXANE $$ 2,2,4,4,6,6,8,8,10,10,12,12-Dodecamethylcyclohexas
100 73
80
Si O Si O
60 O Si

429 Si O
40 O Si O Si
341
20 147
15 45 59 87 117133 191 207 249 267 295311 397413

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
Line#:8 R.Time:24.305(Scan#:4062) MassPeaks:386
RawMode:Averaged 24.300-24.310(4061-4063) BasePeak:41.30(495343)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80 69

60
40
20 136 80 93 107
30 153 176191 218233248 271 293 312 333 352 378394 416431 449465481 502 526 551 582 602 625641 659 683 709 735 759 784

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:134304 Library:Wiley9.lib
SI:93 Formula:C12H20O2 CAS:105-87-3 MolWeight:196 RetIndex:0
CompName:Geranyl acetate $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)- (CAS) $$ Geraniol acetate (CAS) $$ Bay pine (oyster) oil $$ Acetic acid geraniol ester $$ trans-3,7-Dimethyl-2,6-octadien
100 69
41
80
O
60
40 O
93
20 27 53 121
57 77 105 127 154

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:134313 Library:Wiley9.lib
SI:92 Formula:C12H20O2 CAS:105-87-3 MolWeight:196 RetIndex:0
CompName:Geranyl acetate $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)- (CAS) $$ Geraniol acetate (CAS) $$ Bay pine (oyster) oil $$ Acetic acid geraniol ester $$ trans-3,7-Dimethyl-2,6-octadien
100 41
80 69

O
60
40 68
O

20 53
80 92 136
57 107

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:134303 Library:Wiley9.lib
SI:90 Formula:C12H20O2 CAS:105-87-3 MolWeight:196 RetIndex:0
CompName:Geranyl acetate $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)- (CAS) $$ Geraniol acetate (CAS) $$ Bay pine (oyster) oil $$ Acetic acid geraniol ester $$ trans-3,7-Dimethyl-2,6-octadien
100 69
80
43
O
60
40 O
93
20 121136
44 77 92 105 154

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:134293 Library:Wiley9.lib
SI:88 Formula:C12H20O2 CAS:141-12-8 MolWeight:196 RetIndex:0
CompName:Neryl acetate $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)- (CAS) $$ Nerol acetate (CAS) $$ Linalyl, neryl, geranyl acetates, mixture $$ (2Z)-3,7-Dimethyl-2,6-octadienyl acetate $$ (2
100 69
80 41
O
60 43

40 93 O

20 27 53
80
121
7785 105 127 154

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:134605 Library:Wiley9.lib
SI:88 Formula:C12H20O2 CAS:0-00-0 MolWeight:196 RetIndex:0
CompName:NERYL ACETATE
100 69
80 41
43
60 O
40 93
O
20 80 121136
53
57 7785 105 127 154

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:9 R.Time:24.550(Scan#:4111) MassPeaks:463
RawMode:Averaged 24.545-24.555(4110-4112) BasePeak:178.60(21486)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 179
80
60
40 147 163
41
20 51 65
77 91
107
135
30 184 204 230 247 270 288 308 326 353 374 404 423 460 482 499 529 550 586 609 630 656 682 705 724 753 773789

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:1 Entry:99272 Library:Wiley9.lib
SI:73 Formula:C10H13NO2 CAS:2364-54-7 MolWeight:179 RetIndex:0
CompName:4-Nitroso-3-methyl-6-isopropylphenol $$ 4-Nitrosothymol $$ Nitrosothymol $$ 2-Isopropyl-5-methyl-4-nitrosophenol $$ p-Nitrosothymol $$ 6-Nitrosothymol $$ Phenol, 5-methyl-2-(1-m
100 179
OH
80
60
40 39 164 N
91 148
20 41
53 6777
O
28 103 122

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:2 Entry:522047 Library:Wiley9.lib
SI:73 Formula:C19H32N2O4S CAS:0-00-0 MolWeight:384 RetIndex:0
CompName:BENZALDEHYDE, 3, 4-DIMETHOXY-, DECYLSULFONYLHYDRAZONE- $$ N'-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-1-DECANESULFONOHYDRAZIDE
100 179
80
O
60 O
NHN
40 S
O O
41
20 57 150
64 77 92 105 121

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:3 Entry:129949 Library:Wiley9.lib
SI:71 Formula:C12H18O2 CAS:0-00-0 MolWeight:194 RetIndex:0
CompName:1-(METHOXYMETHYL)-4-(1-METHOXY-1-METHYLETHYL)BENZENE
100 179 O

80
60
40
20 45
105
O

2939 51 65 79 91 131 148

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:4 Entry:261256 Library:Wiley9.lib
SI:70 Formula:C12H13NO5 CAS:10565-18-1 MolWeight:251 RetIndex:0
CompName:Benzeneacetic acid, .alpha.-acetyl-4-nitro-, ethyl ester (CAS) $$ ETHYL 3-OXO-2-(P-NITROPHENYL)BUTYRATE $$ Acetoacetic acid, 2-(p-nitrophenyl)-, ethyl ester $$ Ethyl 2-(4-nitro
100 179
O
80 29 O
60
O
43
40 18 O-
N+
20 132 162
77 89 105 207 O
51 63 149 251

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:5 Entry:99164 Library:Wiley9.lib
SI:70 Formula:C9H9NO3 CAS:0-00-0 MolWeight:179 RetIndex:0
CompName:4H-FURO[3,2-B]PYRROLE-5-CARBOXYLIC ACID, 2-METHYL-, METHYL ESTER $$ METHYL 2-METHYL-4H-FURO[3,2-B]PYRROLE-5-CARBOXYLATE
100 179
80 NH
43 147
60 O
O
40 119
39 53 O
20 63 77
91
104 121 162

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
Line#:10 R.Time:25.020(Scan#:4205) MassPeaks:431
RawMode:Averaged 25.015-25.025(4204-4206) BasePeak:41.30(3927)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
67
60 53
81
40 107 147 190
93 133 161
20
30 208 234 251 275 297312 334 352 378 401 426441 466 489 517 544 563 580 602 624 653 679 700 725 748763 780

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:151819 Library:Wiley9.lib
SI:83 Formula:C15H24 CAS:515-13-9 MolWeight:204 RetIndex:0
CompName:(-)-.beta.-Elemene $$ Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1.alpha.,2.beta.,4.beta.)]- (CAS) $$ CIS-1,3-DIISOPROPENYL-TRANS-4-VINYL-4-METHYLCY
100 41 81
68
80
93
60 53
27 107
40 91
147 189
20 43
123 204
162

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:151820 Library:Wiley9.lib
SI:83 Formula:C15H24 CAS:515-13-9 MolWeight:204 RetIndex:0
CompName:(-)-.beta.-Elemene $$ Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1.alpha.,2.beta.,4.beta.)]- (CAS) $$ CIS-1,3-DIISOPROPENYL-TRANS-4-VINYL-4-METHYLCY
100 81
41 68
93
80
60
53 107
40 121
77
20 105 133 161 189
43
175

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:152532 Library:Wiley9.lib
SI:83 Formula:C15H24 CAS:110823-68-2 MolWeight:204 RetIndex:0
CompName:Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)- (CAS) $$ 2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane $$ 2,4-DIISOPROPENYL-1-METHYL-1-VINYLCYCLOHEXANE
100 41 68 81
93
80
60 39 53

107121
40 27
95
20 65 119
133
148
175

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:151829 Library:Wiley9.lib
SI:83 Formula:C15H24 CAS:33880-83-0 MolWeight:204 RetIndex:0
CompName:2,4-DIISOPROPENYL-1-METHYL-1-VINYL-CYCLOHEXANE $$ 2,4-DIISOPROPENYL-1-METHYL-1-VINYLCYCLOHEXANE # $$ (- )-BETE-ELEMENE $$ (1ALPHA,2BETA,4
100 41 68 81
93
80
60 39 53

107121
40 27
95
20 65 119
133
148
175

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:151822 Library:Wiley9.lib
SI:82 Formula:C15H24 CAS:515-13-9 MolWeight:204 RetIndex:0
CompName:(-)-.beta.-Elemene $$ Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1.alpha.,2.beta.,4.beta.)]- (CAS) $$ CIS-1,3-DIISOPROPENYL-TRANS-4-VINYL-4-METHYLCY
100 81
41 68
93
80
60
53 107
40 39 121
27 94
20 65 119133148 189
175

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:11 R.Time:25.810(Scan#:4363) MassPeaks:401
RawMode:Averaged 25.805-25.815(4362-4364) BasePeak:41.30(17925)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
60
40 69 133
55
20 79
93105 147
176 205
30 238 265 282 316 335 356 381 401 429 449 476492 513 530 560 577 600 618 638 665 690 714 737752 784

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:151905 Library:Wiley9.lib
SI:87 Formula:C15H24 CAS:87-44-5 MolWeight:204 RetIndex:0
CompName: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.-Caryop
100 41
80
60
40 91
69
53 105 133
20 43 120
147 175

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:152533 Library:Wiley9.lib
SI:85 Formula:C15H24 CAS:77129-48-7 MolWeight:204 RetIndex:0
CompName:1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene- (CAS) $$ (6E)-7,11-Dimethyl-3-methylene-1,6,10-dodecatriene $$ (6E)-7,11-DIMETHYL-3-METHYLENE-1,6,10-DODECATRIENE #
100 41 69
80
60
40 93
27 55 79
20 91
107
133
43 147 204

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:151755 Library:Wiley9.lib
SI:85 Formula:C15H24 CAS:18794-84-8 MolWeight:204 RetIndex:0
CompName:1,6,10-DODECATRIENE, 7,11-DIMETHYL-3-METHYLENE-, (E)- $$ (6E)-7,11-DIMETHYL-3-METHYLENE-1,6,10-DODECATRIENE # $$ (6E)-7,11-DIMETHYL-3-METHYLENE
100 41 69
80
60
40 93
27 55 79
20 91
107
133
43 147 204

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:193962 Library:Wiley9.lib
SI:84 Formula:C15H26O CAS:4602-84-0 MolWeight:222 RetIndex:0
CompName:Farnesol $$ 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- (CAS) $$ Farnesyl alcohol $$ 3,7,11-trimethyl-2,6,10-dodecatrien-1-ol $$ Dihydrofarnesol $$ 3,7,11-Trimethyl-2,6,10-dodecatrieno
100 41
80
93
60 69 OH

40 55
79
27 91 107
20 43
123 147 189204

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:151909 Library:Wiley9.lib
SI:84 Formula:C15H24 CAS:87-44-5 MolWeight:204 RetIndex:0
CompName: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.-Caryop
100 41
80
60
79 91
40 39
53 67
27 105
20 65
119
94 147 189

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:12 R.Time:26.675(Scan#:4536) MassPeaks:435
RawMode:Averaged 26.670-26.680(4535-4537) BasePeak:41.30(8800)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
60 93
40 53
67 80 121 147
20 107 161 205
30 133 176 223 241 265 282 316 347 366 392 418 444 473 498 527 545 562577 601 628643 666 697 725 747 775

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:151841 Library:Wiley9.lib
SI:85 Formula:C15H24 CAS:6753-98-6 MolWeight:204 RetIndex:0
CompName:.alpha.-Humulene (CAS) $$ 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)- (CAS) $$ 4,7,10-CYCLOUNDECATRIENE, 1,1,4,8-TETRAMETHYL-, ALL-CIS $$ Humulene $$ .alp
100 41
80
93
60 53 67
27 79 91
40
105 121
20 43
122 147 189204

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:193962 Library:Wiley9.lib
SI:85 Formula:C15H26O CAS:4602-84-0 MolWeight:222 RetIndex:0
CompName:Farnesol $$ 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- (CAS) $$ Farnesyl alcohol $$ 3,7,11-trimethyl-2,6,10-dodecatrien-1-ol $$ Dihydrofarnesol $$ 3,7,11-Trimethyl-2,6,10-dodecatrieno
100 41
80
93
60 69 OH

40 55
79
27 91 107
20 43
123 147 189204

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:151845 Library:Wiley9.lib
SI:84 Formula:C15H24 CAS:6753-98-6 MolWeight:204 RetIndex:0
CompName:.alpha.-Humulene (CAS) $$ 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)- (CAS) $$ 4,7,10-CYCLOUNDECATRIENE, 1,1,4,8-TETRAMETHYL-, ALL-CIS $$ Humulene $$ .alp
100 93
80
60 41

40 80
53
67
20 94107
29 136 161 204

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:151905 Library:Wiley9.lib
SI:84 Formula:C15H24 CAS:87-44-5 MolWeight:204 RetIndex:0
CompName: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.-Caryop
100 41
80
60
40 91
69
53 105 133
20 43 120
147 175

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:151915 Library:Wiley9.lib
SI:83 Formula:C15H24 CAS:87-44-5 MolWeight:204 RetIndex:0
CompName: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.-Caryop
100 41
80 69
93
60 79

40 55
77 105 133
107
20 43
147
189

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:13 R.Time:27.000(Scan#:4601) MassPeaks:394
RawMode:Averaged 26.995-27.005(4600-4602) BasePeak:178.60(53228)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 179
80
60
40 163
107
20 4151
65 77 91 135 115
30 188 208 225 249 268 307 328 347 377 404 423 442458 486 514 535 552 582597 618 644 679 712 742 769 789

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:1 Entry:129949 Library:Wiley9.lib
SI:74 Formula:C12H18O2 CAS:0-00-0 MolWeight:194 RetIndex:0
CompName:1-(METHOXYMETHYL)-4-(1-METHOXY-1-METHYLETHYL)BENZENE
100 179 O

80
60
40
20 45
105
O

2939 51 65 79 91 131 148

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:2 Entry:404191 Library:Wiley9.lib
SI:72 Formula:C18H18O5 CAS:170241-39-1 MolWeight:314 RetIndex:0
CompName:Ethanone, 1-(5-ethyl-2-hydroxy-4-methoxyphenyl)-2-(3,4-methylenedioxyphenyl)- $$ 2-(1,3-Benzodioxol-5-yl)-1-(5-ethyl-2-hydroxy-4-methoxyphenyl)ethanone $$ 2-(1,3-BENZODIOXO
100 179
80 O OH

60 O

40 O

20
135 314 O
39 51 69 91 108 163

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:3 Entry:522047 Library:Wiley9.lib
SI:72 Formula:C19H32N2O4S CAS:0-00-0 MolWeight:384 RetIndex:0
CompName:BENZALDEHYDE, 3, 4-DIMETHOXY-, DECYLSULFONYLHYDRAZONE- $$ N'-[(3,4-DIMETHOXYPHENYL)METHYLIDENE]-1-DECANESULFONOHYDRAZIDE
100 179
80
O
60 O
NHN
40 S
O O
41
20 57 150
64 77 92 105 121

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:4 Entry:261256 Library:Wiley9.lib
SI:71 Formula:C12H13NO5 CAS:10565-18-1 MolWeight:251 RetIndex:0
CompName:Benzeneacetic acid, .alpha.-acetyl-4-nitro-, ethyl ester (CAS) $$ ETHYL 3-OXO-2-(P-NITROPHENYL)BUTYRATE $$ Acetoacetic acid, 2-(p-nitrophenyl)-, ethyl ester $$ Ethyl 2-(4-nitro
100 179
O
80 29 O
60
O
43
40 18 O-
N+
20 132 162
77 89 105 207 O
51 63 149 251

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:5 Entry:103077 Library:Wiley9.lib
SI:71 Formula:C7H7N3O3 CAS:55649-68-8 MolWeight:181 RetIndex:0
CompName:Benzofurazan, 1,3-dihydro-1-methyl-3-nitro- (CAS)
100 179
80 163 N
30 89
60 18 O

119 N
40 76
91 133 N+
20 17 3950 63 180 O-
O
61

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
Line#:14 R.Time:27.355(Scan#:4672) MassPeaks:412
RawMode:Averaged 27.350-27.360(4671-4673) BasePeak:161.55(43399)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 161
80 41

60
40 55 105
133 205
20 67 79 91
147
30 178 216 234 255 283 310 329 350 372 398 429 456 486501517532 557 574 593 611 640 666 686 704 728 751 782

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:1 Entry:152326 Library:Wiley9.lib
SI:84 Formula:C15H24 CAS:23986-74-5 MolWeight:204 RetIndex:0
CompName:Germacrene D $$ 1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, [s-(E,E)]- (CAS) $$ 8-Isopropyl-1-methyl-5-methylene-1,6-cyclodecadiene $$ Germacra-1(10),4(15),5-trie
100 161
80 105
91
60 41
81
119
40 55
53 67 133
20 29 204
95 134

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:2 Entry:152299 Library:Wiley9.lib
SI:82 Formula:C15H24 CAS:13744-15-5 MolWeight:204 RetIndex:0
CompName:.beta.-Cubebene $$ 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, octahydro-7-methyl-3-methylene-4-(1-methylethyl)-, [3aS-(3a.alpha.,3b.beta.,4.beta.,7.alpha.,7aS*)]- (CAS) $$ .beta.-Cuve
100 161
80
60
40 91 105
41
81 93
20 55
69 162 204
27 43
131 147

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:3 Entry:152037 Library:Wiley9.lib
SI:82 Formula:C15H24 CAS:39029-41-9 MolWeight:204 RetIndex:0
CompName:.gamma.-Cadinene (CAS) $$ Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1.alpha.,4a.beta.,8a.alpha.)- (CAS) $$ .gamma. 2-cadinene $$ 1-Isopropyl
100 161
80 41

60 91 105
79
40 43 77 119
55 133 204
20 67
107 148 176 205

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:4 Entry:152325 Library:Wiley9.lib
SI:82 Formula:C15H24 CAS:23986-74-5 MolWeight:204 RetIndex:0
CompName:Germacrene D $$ 1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, [s-(E,E)]- (CAS) $$ 8-Isopropyl-1-methyl-5-methylene-1,6-cyclodecadiene $$ Germacra-1(10),4(15),5-trie
100 161
80 105
91
41 119
60
79
40 27 39
55 67 120
20 18 204
147

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:5 Entry:152377 Library:Wiley9.lib
SI:81 Formula:C15H24 CAS:23986-74-5 MolWeight:204 RetIndex:0
CompName:GERMACRENE-D $$ 1,6-CYCLODECADIENE, 1-METHYL-5-METHYLENE-8-(1-METHYLETHYL)-, [S-(E,E)]- $$ GERMACRA-1(10),4(15),5-TRIENE, (-)- $$ 8-ISOPROPYL-1-M
100 161
80 105
60 91
119
40 81
41 77 133
20 55 67 107 204
43 131 147 205

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
Line#:15 R.Time:27.820(Scan#:4765) MassPeaks:416
RawMode:Averaged 27.815-27.825(4764-4766) BasePeak:41.30(14168)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80 105
205
162
60
43
40 119
81 133 190
20 67 91
147
30 176 273 292 310 433448
212 231 248 347 378 404 476 495 512 528 545 563 580 601 625 648 680 709724 754 779

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:152217 Library:Wiley9.lib
SI:81 Formula:C15H24 CAS:489-39-4 MolWeight:204 RetIndex:0
CompName:1H-CYCLOPROP[E]AZULENE, DECAHYDRO-1,1,7-TRIMETHYL-4-METHYLENE-, [1AR-(1A.ALPHA.,4A.ALPHA.,7.ALPHA.,7A.BETA.,7B.ALPHA.)]- $$ AROMADENDRENE
100 105 161
H
80 41

60 91
119
204
40 27 55 133 H
77 93
43 67 147162 189
20 131

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:152037 Library:Wiley9.lib
SI:80 Formula:C15H24 CAS:39029-41-9 MolWeight:204 RetIndex:0
CompName:.gamma.-Cadinene (CAS) $$ Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1.alpha.,4a.beta.,8a.alpha.)- (CAS) $$ .gamma. 2-cadinene $$ 1-Isopropyl
100 161
80 41

60 91 105
79
40 43 77 119
55 133 204
20 67
107 148 176 205

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:152285 Library:Wiley9.lib
SI:79 Formula:C15H24 CAS:3856-25-5 MolWeight:204 RetIndex:0
CompName:.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) $$ C
100 105119
80 41
161
60 91

40
43 55 77
20 65 106 204
131 189 205

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:152490 Library:Wiley9.lib
SI:78 Formula:C15H24 CAS:0-00-0 MolWeight:204 RetIndex:0
CompName:(-)-ISOLEDENE
100 105 161
80
91
60 41 119

40 133
204
55 77
147 189
20 43 67 107
131 205
175

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:152241 Library:Wiley9.lib
SI:78 Formula:C15H24 CAS:17334-55-3 MolWeight:204 RetIndex:0
CompName:Calarene $$ 1H-Cyclopropa[a]naphthalene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, [1aR-(1a.alpha.,7.alpha.,7a.alpha.,7b.alpha.)]- (CAS) $$ .beta.-Gurjunene $$ 1(10)-Aristolen
100 41 161
80 91
105

60 79
55 93
40 29 67 133
43 162 189
117
20 204

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:16 R.Time:28.160(Scan#:4833) MassPeaks:436
RawMode:Averaged 28.155-28.165(4832-4834) BasePeak:161.55(117557)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 161
80
60 41
40 205
20 55 79 105 133
67 91
30 148 177 211 236 266 288 306 327 346 363 391407 429 457 474 493 511 544 564579 597 629 654 681 707 740 757773

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:152243 Library:Wiley9.lib
SI:83 Formula:C15H24 CAS:17334-55-3 MolWeight:204 RetIndex:0
CompName:Calarene $$ 1H-Cyclopropa[a]naphthalene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, [1aR-(1a.alpha.,7.alpha.,7a.alpha.,7b.alpha.)]- (CAS) $$ .beta.-Gurjunene $$ 1(10)-Aristolen
100 161
80
60
40 41
91 105
162
20 27 43 55 69
133 189204
122 175

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:152242 Library:Wiley9.lib
SI:83 Formula:C15H24 CAS:17334-55-3 MolWeight:204 RetIndex:0
CompName:Calarene $$ 1H-Cyclopropa[a]naphthalene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, [1aR-(1a.alpha.,7.alpha.,7a.alpha.,7b.alpha.)]- (CAS) $$ .beta.-Gurjunene $$ 1(10)-Aristolen
100 161
80
60
40 41
91 105
20 55 69 107 133 189204
43
131 175 205

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:152034 Library:Wiley9.lib
SI:83 Formula:C15H24 CAS:39029-41-9 MolWeight:204 RetIndex:0
CompName:NAPHTHALENE, 1,2,3,4,4A,5,6,8A-OCTAHYDRO-7-METHYL-4-METHYLENE-1-(1-METHYLETHYL)-, (1.ALPHA.,4A.BETA.,8A.ALPHA.)- $$ 1-ISOPROPYL-7-METHYL-4-ME
100 161
80
60
40 41 91 105
81 119
20 55 133 162 204
27 43 67
131 148 189

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:152239 Library:Wiley9.lib
SI:82 Formula:C15H24 CAS:17334-55-3 MolWeight:204 RetIndex:0
CompName:Calarene $$ 1H-Cyclopropa[a]naphthalene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, [1aR-(1a.alpha.,7.alpha.,7a.alpha.,7b.alpha.)]- (CAS) $$ .beta.-Gurjunene $$ 1(10)-Aristolen
100 161
80
60
40 41 91 105
162 189
20 55 69 133 204
29 43 122 175

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:152538 Library:Wiley9.lib
SI:82 Formula:C15H24 CAS:51898-92-1 MolWeight:204 RetIndex:0
CompName:Tetracyclo[6.1.0.0(2,4).0(5,7)]nonane,3,3,6,6,9,9-hexamethyl-(1.alpha.,2.alpha.,4.alpha.,5.beta.,7.beta.,8.alpha.)- $$ TETRACYCLO[6.1.0.02,4.05,7]NONANE, 3,3,6,6,9,9-HEXAMETHY
100 161
80
60
41
40 91 105
55 69 133
20 27 147162
189
93 131 204

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:17 R.Time:28.375(Scan#:4876) MassPeaks:461
RawMode:Averaged 28.370-28.380(4875-4877) BasePeak:204.75(93693)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 205
161
80
41
60 119 134

40 105 190
55
20 81
69 91 147
30 177 218 245261 278 308 329 346361 384 412 448 473 504 530 548 565 591 615631 649 672 692 719 756 780

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:152050 Library:Wiley9.lib
SI:81 Formula:C15H24 CAS:483-76-1 MolWeight:204 RetIndex:0
CompName:.delta.-Cadinene (CAS) $$ Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- (CAS) $$ (+)-.delta.-Cadinene $$ Cadina-1(10),4-diene (CAS) $$ .delta.-Cadine
100 161
80
105119
60 134
204
41 91
81
40
55 77 H
189
20 43 69 106 131 147 205

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:152046 Library:Wiley9.lib
SI:80 Formula:C15H24 CAS:483-76-1 MolWeight:204 RetIndex:0
CompName:.delta.-Cadinene (CAS) $$ Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- (CAS) $$ (+)-.delta.-Cadinene $$ Cadina-1(10),4-diene (CAS) $$ .delta.-Cadine
100 161
80
60 134
105
40 41 204
91 H
81
20 27 55 93 162 189
43 69 128 147

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:152045 Library:Wiley9.lib
SI:80 Formula:C15H24 CAS:483-76-1 MolWeight:204 RetIndex:0
CompName:.delta.-Cadinene (CAS) $$ Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- (CAS) $$ (+)-.delta.-Cadinene $$ Cadina-1(10),4-diene (CAS) $$ .delta.-Cadine
100 161
80
60 134
105119
40 41 204
91 H
81
20 55 189
43 69 106 128 147 205

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:152048 Library:Wiley9.lib
SI:78 Formula:C15H24 CAS:483-76-1 MolWeight:204 RetIndex:0
CompName:.delta.-Cadinene (CAS) $$ Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- (CAS) $$ (+)-.delta.-Cadinene $$ Cadina-1(10),4-diene (CAS) $$ .delta.-Cadine
100 161
80 119
105
134
60 91
204
40
41 H
77
20 106 128 189
55 69 145
43 205

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:152052 Library:Wiley9.lib
SI:77 Formula:C15H24 CAS:483-76-1 MolWeight:204 RetIndex:0
CompName:.delta.-Cadinene (CAS) $$ Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- (CAS) $$ (+)-.delta.-Cadinene $$ Cadina-1(10),4-diene (CAS) $$ .delta.-Cadine
100 161
80
60 134
105 204
40 41
8191 H
55
20 189 205
53 69 103 135
30 171

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:18 R.Time:28.855(Scan#:4972) MassPeaks:441
RawMode:Averaged 28.850-28.860(4971-4973) BasePeak:59.40(98247)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 59
80 41
60
40 161
190
20 81 93 107 135
205 176
30 225 250 267 286 318334 359 389 410 429 458 475 502 521536 554570 598 622 653 674 696712 734 759 785

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:194008 Library:Wiley9.lib
SI:83 Formula:C15H26O CAS:639-99-6 MolWeight:222 RetIndex:0
CompName:Elemol $$ Cyclohexanemethanol, 4-ethenyl-.alpha.,.alpha.,4-trimethyl-3-(1-methylethenyl)-, [1R-(1.alpha.,3.alpha.,4.beta.)]- (CAS) $$ o-Menth-8-ene-4-methanol, .alpha.,.alpha.-dimethyl
100 59
80
28
60 93 OH
41
40 43 81 107 161
67 135
20 91 123 149162 189204

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:194017 Library:Wiley9.lib
SI:83 Formula:C15H26O CAS:21657-90-9 MolWeight:222 RetIndex:0
CompName:Hedycaryol $$ 3,7-Cyclodecadiene-1-methanol, .alpha.,.alpha.,4,8-tetramethyl-, [s-( $$ 3,7-Cyclodecadiene-1-methanol, .alpha.,.alpha.,4,8-tetramethyl-, [s-(Z,Z)] $$ 2-(4,8-Dimethyl-3,7-cy
100 59
80
93
60
OH
40 41 81 161
107
67 135
20 31 91 123 149162 189
204

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:194015 Library:Wiley9.lib
SI:82 Formula:C15H26O CAS:21657-90-9 MolWeight:222 RetIndex:0
CompName:Hedycaryol $$ 3,7-Cyclodecadiene-1-methanol, .alpha.,.alpha.,4,8-tetramethyl-, [s-( $$ 3,7-Cyclodecadiene-1-methanol, .alpha.,.alpha.,4,8-tetramethyl-, [s-(Z,Z)] $$ 2-(4,8-Dimethyl-3,7-cy
100 59
80
93
60
OH
40 41 81 161
107
67 135
20 31 82 123 149162 189204

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:194016 Library:Wiley9.lib
SI:82 Formula:C15H26O CAS:21657-90-9 MolWeight:222 RetIndex:0
CompName:Hedycaryol $$ 3,7-Cyclodecadiene-1-methanol, .alpha.,.alpha.,4,8-tetramethyl-, [s-( $$ 3,7-Cyclodecadiene-1-methanol, .alpha.,.alpha.,4,8-tetramethyl-, [s-(Z,Z)] $$ 2-(4,8-Dimethyl-3,7-cy
100 59
80
93
60
OH
40 41 81 161
107
67 135
20 71 105
149 189
204
175

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:194011 Library:Wiley9.lib
SI:82 Formula:C15H26O CAS:639-99-6 MolWeight:222 RetIndex:0
CompName:Elemol $$ Cyclohexanemethanol, 4-ethenyl-.alpha.,.alpha.,4-trimethyl-3-(1-methylethenyl)-, [1R-(1.alpha.,3.alpha.,4.beta.)]- (CAS) $$ o-Menth-8-ene-4-methanol, .alpha.,.alpha.-dimethyl
100 59
80 43
93
60 OH
67 107 161
40 79
53 121
20 108 133
149162
189
204

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:19 R.Time:28.980(Scan#:4997) MassPeaks:454
RawMode:Averaged 28.975-28.985(4996-4998) BasePeak:41.30(49411)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
43 69
60
40 71
20 93 136
30 107 154 177 206 223 248 275 304 334 353 370 400 418 438 469 503 530546 563 581596 624 650 672 690 709 727 749 776

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:1 Entry:134304 Library:Wiley9.lib
SI:89 Formula:C12H20O2 CAS:105-87-3 MolWeight:196 RetIndex:0
CompName:Geranyl acetate $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)- (CAS) $$ Geraniol acetate (CAS) $$ Bay pine (oyster) oil $$ Acetic acid geraniol ester $$ trans-3,7-Dimethyl-2,6-octadien
100 6941
80
O
60
40 O
93
20 27 53 121
57 77 105 127 154

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:2 Entry:134303 Library:Wiley9.lib
SI:88 Formula:C12H20O2 CAS:105-87-3 MolWeight:196 RetIndex:0
CompName:Geranyl acetate $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)- (CAS) $$ Geraniol acetate (CAS) $$ Bay pine (oyster) oil $$ Acetic acid geraniol ester $$ trans-3,7-Dimethyl-2,6-octadien
100 69
80
43
O
60
40 O
93
20 121136
44 77 92 105 154

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:3 Entry:198899 Library:Wiley9.lib
SI:88 Formula:C14H24O2 CAS:2345-26-8 MolWeight:224 RetIndex:0
CompName:Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)- (CAS) $$ Geranyl isobutyrate $$ GERANYL 2-METHYLPROPANOATE $$ Isobutyric acid, (E)-3,7-dimethyl-2,6-octadi
100 41 69
80
60 68 O
93
40 O
27 121136
20 53
92 107
18 154 224

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:4 Entry:198901 Library:Wiley9.lib
SI:87 Formula:C14H24O2 CAS:2345-26-8 MolWeight:224 RetIndex:0
CompName:Propanoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E)- (CAS) $$ Geranyl isobutyrate $$ GERANYL 2-METHYLPROPANOATE $$ Isobutyric acid, (E)-3,7-dimethyl-2,6-octadi
100 69
80
41
60 93 O

40 71
O

20 27 53 80 121136
85 107 154

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:5 Entry:134293 Library:Wiley9.lib
SI:87 Formula:C12H20O2 CAS:141-12-8 MolWeight:196 RetIndex:0
CompName:Neryl acetate $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)- (CAS) $$ Nerol acetate (CAS) $$ Linalyl, neryl, geranyl acetates, mixture $$ (2Z)-3,7-Dimethyl-2,6-octadienyl acetate $$ (2
100 69
80 41
O
60 43

40 93 O

20 27 53
80
121
7785 105 127 154

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
Line#:20 R.Time:29.605(Scan#:5122) MassPeaks:444
RawMode:Averaged 29.600-29.610(5121-5123) BasePeak:43.30(12109)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 43
80
60 41
81

40
20 67 123 208
30 95 133 149 180 223 242 265 288 311 328 349 370 396 413 433 459 483 514 540 560 587 615 633 656 678 695 714729 755 775 792

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:194286 Library:Wiley9.lib
SI:79 Formula:C15H26O CAS:74841-87-5 MolWeight:222 RetIndex:0
CompName:GERMACRENE D-4-OL
100 81
43
80
60
40 105
67 79 93 123 161
20 53 109 204
133 189 207 OH

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:102723 Library:Wiley9.lib
SI:77 Formula:C12H20O CAS:77043-45-9 MolWeight:180 RetIndex:0
CompName:1,3,5-Pentanetricarboxamide, N,N',N''-triheptyl-N,N',N''-trimethyl- $$ 2,2,6,8-TETRAMETHYL-7-OXA-TRICYCLO[6.1.0.0 1,6]NONANE $$ 1,3,5-PENTANETRICARBOXAMIDE, N,N
100 43
80
107
60
81
69 95
40 122 O
55 165
20 27 39 93
65 119 147 166

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:134629 Library:Wiley9.lib
SI:77 Formula:C12H20O2 CAS:29843-60-5 MolWeight:196 RetIndex:0
CompName:Isomyrcenyl acetate $$ ISOMYRCENYLACETAT $$ 2-(2-Methyl-1-propenyl)-5-hexenyl acetate $$ 2-(2-Methyl-1-propenyl)-5-hexenyl acetate (computer-generated name) $$ 5-Hexen-1-o
100 43
80
69
60 O
41 81 121
40
93 136 O
20 27 53
31 65 77 99 119 140

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:129567 Library:Wiley9.lib
SI:77 Formula:C12H18O2 CAS:80527-40-8 MolWeight:194 RetIndex:0
CompName:ISOMYRCENYLACETATE
100 43
80
69
60
41 81 121
40
93 136
20 27 53
31 65 77 99 119 140

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:194210 Library:Wiley9.lib
SI:77 Formula:C15H26O CAS:489-41-8 MolWeight:222 RetIndex:0
CompName:Globulol $$ (-)-Globulol $$ 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,4.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]- $$ 1,1,4,7-Tetramethyldecahydro-
100 43
80
60
40 67
55 79 93 107
20 53 121 147 189
OH

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:21 R.Time:29.730(Scan#:5147) MassPeaks:459
RawMode:Averaged 29.725-29.735(5146-5148) BasePeak:41.30(8734)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
60
40
67 79
20 91 109 162
30 138 177 206 232 256 279 304 327 349364 381 406 432 452 482 508 531 551566 587602 623 642657 683 704 727 752 781

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:188742 Library:Wiley9.lib
SI:82 Formula:C15H24O CAS:1139-30-6 MolWeight:220 RetIndex:0
CompName:(-)-Caryophyllene oxide $$ (-)-5-Oxatricyclo[8.2.0.0(4,6)]dodecane,,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]- (CAS) $$ (-)-.beta.-Caryophyllene epoxide $$ Caryophyllene o
100 43
80
60
55 93
40 69
109
39
81 96
20 29 119 135
57 161 O

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:188736 Library:Wiley9.lib
SI:82 Formula:C15H24O CAS:142792-93-6 MolWeight:220 RetIndex:0
CompName:LONGIPINENEPOXIDE
100 41
80
O
60
2939 55
40
67
20 65 8191 107
119 135 161177

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:193945 Library:Wiley9.lib
SI:81 Formula:C15H26O CAS:7212-44-4 MolWeight:222 RetIndex:0
CompName:Nerolidol $$ 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl- (CAS) $$ 3,7,11-Trimethyldodeca-1,6,10-trien-3-ol $$ 3,7,11-Trimethyl-1,6,10-dodecatriene-3-ol $$ E-farnesol $$ 3,7,11-trimethyl-
100 41
69
80
60
93
40 55
39 81 107 OH
20 27
95
65 119 136 161
189

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:193930 Library:Wiley9.lib
SI:81 Formula:C15H26O CAS:142-50-7 MolWeight:222 RetIndex:0
CompName:NEROLIDOL ISOMER $$ 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]- $$ 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (Z)-(S)-(+)- $$ (+)-Nerolidol $$ D-nerolidol $$ Nerolidol $$
100 41 69
80
60 HO
93
55
40
81 107
20 91
44 58 77 105119 136 161

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:193931 Library:Wiley9.lib
SI:81 Formula:C15H26O CAS:142-50-7 MolWeight:222 RetIndex:0
CompName:d-Nerolidol $$ 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]- (CAS) $$ .ALPHA.-3,7,11-TRIMETHYL-1,6,10-DODECATRIEN-3-OL $$ Nerolidol $$ Peruviol $$ (+)-Nerolidol $$ N
100 41 69
80
60 HO
93
55
40
81 107
20 91
44 58 77 105119 136 161

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:22 R.Time:30.125(Scan#:5226) MassPeaks:394
RawMode:Averaged 30.120-30.130(5225-5227) BasePeak:41.30(8287)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80 43 135
60 107
205
40
20 69 93 119
30 149 176 221 243 268 304 321336 359 389 417 442 460 480 502 523 541557 588 605 623 658673 700 722 741756 778

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:400332 Library:Wiley9.lib
SI:76 Formula:C19H24N2O2 CAS:339222-21-8 MolWeight:312 RetIndex:0
CompName:N-(4-Acetamidophenyl)-1-adamantanecarboxamide $$ N-[4-(Acetylamino)phenyl]-1-adamantanecarboxamide $$ N-[4-(ACETYLAMINO)PHENYL]-1-ADAMANTANECARBOXAMIDE
100 135
80 43

60 NH
79 O
107
40 93
O
41 NH
20 67
312
33 119 149 227 284

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:151747 Library:Wiley9.lib
SI:76 Formula:C15H24 CAS:502-61-4 MolWeight:204 RetIndex:0
CompName:Farnesene (CAS) $$ 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl- (CAS) $$ .alpha.-Farnesene $$ 2,6,10-Trimethyl-2,6,9,11-dodecatetraene $$ 3,7,11-Trimethyl-1,3,6,10-dodecatetraene $$ 1,
100 41
93
80
55 69
60
40 107
29 43 79
91
20 123
161 204

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:382447 Library:Wiley9.lib
SI:75 Formula:C15H20N4O3 CAS:0-00-0 MolWeight:304 RetIndex:0
CompName:ADAMANTANE-1-CARBOXYLIC ACID, (4-ACETYLAMINOFURAZAN-3-YL)AMIDE $$ N-[4-(ACETYLAMINO)-1,2,5-OXADIAZOL-3-YL]-1-ADAMANTANECARBOXAMIDE
100 43 135 O

80
NH
60
N

40 O
NH
79 N
93
20 41
67 O
107 163
36 219 304

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:188736 Library:Wiley9.lib
SI:75 Formula:C15H24O CAS:142792-93-6 MolWeight:220 RetIndex:0
CompName:LONGIPINENEPOXIDE
100 41
80
O
60
2939 55
40
67
20 65 8191 107
119 135 161177

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:193962 Library:Wiley9.lib
SI:75 Formula:C15H26O CAS:4602-84-0 MolWeight:222 RetIndex:0
CompName:Farnesol $$ 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl- (CAS) $$ Farnesyl alcohol $$ 3,7,11-trimethyl-2,6,10-dodecatrien-1-ol $$ Dihydrofarnesol $$ 3,7,11-Trimethyl-2,6,10-dodecatrieno
100 41
80
93
60 69 OH

40 55
79
27 91 107
20 43
123 147 189204

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:23 R.Time:31.095(Scan#:5420) MassPeaks:431
RawMode:Averaged 31.090-31.100(5419-5421) BasePeak:43.30(12619)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 43
161
80
60 205
41
40
121
20 58 81 95 134
190
30 177 223 247 280296 321 338 358 388 416 447 474 491 518 543 565 598 617 641657 681 701 724 748 768784

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:1 Entry:194285 Library:Wiley9.lib
SI:75 Formula:C15H26O CAS:5937-11-1 MolWeight:222 RetIndex:0
CompName:.TAU.-CADINOL $$ 1-NAPHTHALENOL, 1,2,3,4,4A,7,8,8A-OCTAHYDRO-1,6-DIMETHYL-4-(1-METHYLETHYL)-, [1S-(1.ALPHA.,4.ALPHA.,4A.ALPHA.,8A.BETA.)]- $$ 4-ISOPR
100 43 161
80
60 81 105
HO

40 79 93 204
55 67 133 162
20 53 189
147
207

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:2 Entry:194123 Library:Wiley9.lib
SI:73 Formula:C15H26O CAS:36564-42-8 MolWeight:222 RetIndex:0
CompName:.delta.-Cadinol $$ 1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, [1S-(1.alpha.,4.alpha.,4a.beta.,8a.beta.)]- (CAS) $$ Amorphan-3-en-9-ol $$ DELTA-CADIN
100 161
80
43
60 HO
41 105
40 79
95 204
55 69 91
20 27 162
122 147 189

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:3 Entry:194284 Library:Wiley9.lib
SI:73 Formula:C15H26O CAS:19912-62-0 MolWeight:222 RetIndex:0
CompName:.TAU.-MUUROLOL $$ 1-NAPHTHALENOL, 1,2,3,4,4A,7,8,8A-OCTAHYDRO-1,6-DIMETHYL-4-(1-METHYLETHYL)-, [1S-(1.ALPHA.,4.ALPHA.,4A.ALPHA.,8A.ALPHA.)]- $$ 4-IS
100 43
80
60 95 HO

79
40 121 161
58 7181 105 204
20 53
139 164
207

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:4 Entry:293390 Library:Wiley9.lib
SI:73 Formula:C18H32O CAS:0-00-0 MolWeight:264 RetIndex:0
CompName:.ALPHA.-BISABOLOL
100 43
69
80 109

60
OH
41
40 93 205
71
55
20 81 105
127 148 189

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:5 Entry:194112 Library:Wiley9.lib
SI:73 Formula:C15H26O CAS:19435-97-3 MolWeight:222 RetIndex:0
CompName:Torreyol $$ 1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, [1R-(1.alpha.,4.beta.,4a.beta.,8a.beta.)]- (CAS) $$ 5.BETA.-ISOPROPYL-2.BETA.,8-DIMETHY
100 43 161
80
60 119 HO
41 95
40 81 204
55 69
91
20 29 189
18 123 147

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
Line#:24 R.Time:31.390(Scan#:5479) MassPeaks:413
RawMode:Averaged 31.385-31.395(5478-5480) BasePeak:43.30(15053)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 43
80
60
205
40 41
121
161
20 58 71 96 109
137
30 180 223 250 277 299 316 344360 387 414 436 462 485 509 544 570 590605 623 644 672 697 728744 774

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:1 Entry:293390 Library:Wiley9.lib
SI:74 Formula:C18H32O CAS:0-00-0 MolWeight:264 RetIndex:0
CompName:.ALPHA.-BISABOLOL
100 43
69
80 109

60
OH
41
40 93 205
71
55
20 81 105
127 148 189

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:2 Entry:194119 Library:Wiley9.lib
SI:73 Formula:C15H26O CAS:481-34-5 MolWeight:222 RetIndex:0
CompName:.alpha.-Cadinol $$ 1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, [1R-(1.alpha.,4.beta.,4a.beta.,8a.alpha.)]- (CAS) $$ Cadin-4-en-10-ol $$ l-.alpha.-Cadinol
100 43
80
95
60 HO

79 121
40
81 105 161 204
58
20 53 137 162
207

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:3 Entry:194250 Library:Wiley9.lib
SI:71 Formula:C15H26O CAS:515-69-5 MolWeight:222 RetIndex:0
CompName:ALPHA-BISABOLOL $$ .alpha.-Bisabolol $$ 3-Cyclohexene-1-methanol, .alpha.,4-dimethyl-.alpha.-(4-methyl-3-pentenyl)-, (R@,R@)- $$ 5-Hepten-2-ol, 6-methyl-2-(4-methyl-3-cyclohe
100 43
80
60 69 OH
109
40
55 93
204
20 53 79 105 161
134 189

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:4 Entry:194284 Library:Wiley9.lib
SI:71 Formula:C15H26O CAS:19912-62-0 MolWeight:222 RetIndex:0
CompName:.TAU.-MUUROLOL $$ 1-NAPHTHALENOL, 1,2,3,4,4A,7,8,8A-OCTAHYDRO-1,6-DIMETHYL-4-(1-METHYLETHYL)-, [1S-(1.ALPHA.,4.ALPHA.,4A.ALPHA.,8A.ALPHA.)]- $$ 4-IS
100 43
80
60 95 HO

79
40 121 161
58 7181 105 204
20 53
139 164
207

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:5 Entry:194112 Library:Wiley9.lib
SI:71 Formula:C15H26O CAS:19435-97-3 MolWeight:222 RetIndex:0
CompName:Torreyol $$ 1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, [1R-(1.alpha.,4.beta.,4a.beta.,8a.beta.)]- (CAS) $$ 5.BETA.-ISOPROPYL-2.BETA.,8-DIMETHY
100 43 161
80
60 119 HO
41 95
40 81 204
55 69
91
20 29 189
18 123 147

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
Line#:25 R.Time:36.425(Scan#:6486) MassPeaks:507
RawMode:Averaged 36.420-36.430(6485-6487) BasePeak:430.20(1991)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 430
80
73
60
356
40 222
342
147 208
20 44 282 402
460476491
30 64 87 107 123 155 177 237 266 319 365 384 414 434 512 545 566 596 617 642 664 684 703719 744 769 793

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:1 Entry:573014 Library:Wiley9.lib
SI:60 Formula:C18H38O4Si4 CAS:0-00-0 MolWeight:430 RetIndex:0
CompName:TETRAHYDROXYBENZENE 4TMS
100 73 430
80
60
40
20 45
16 147 179 224 254 311 327 415 434
131

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:2 Entry:573017 Library:Wiley9.lib
SI:57 Formula:C18H38O4Si4 CAS:0-00-0 MolWeight:430 RetIndex:0
CompName:Benzene-1,2,4,5-tetraol tetraTMS dev
100 430
80
60
73
40
20 147
342
179 207 254 415 434

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:3 Entry:574843 Library:Wiley9.lib
SI:54 Formula:C18H40O4Si4 CAS:0-00-0 MolWeight:432 RetIndex:0
CompName:1,2,3,5-Tetrahydroxybenzene tetra(trimethylsilyl) ether
100 430
80
73
60 299

40
20 327 415
147 434

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:4 Entry:573015 Library:Wiley9.lib
SI:54 Formula:C18H38O4Si4 CAS:0-00-0 MolWeight:430 RetIndex:0
CompName:1,2,4,5-tetrakis(Trimethylsiloxy)benzene
100 430
Si
80 O

60 73
Si
O O

40 Si
O

20 Si

434

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:5 Entry:573506 Library:Wiley9.lib
SI:53 Formula:C24H38O3Si2 CAS:0-00-0 MolWeight:430 RetIndex:0
CompName:4-HYDROXYESTERONE TMS (FROM URINE) $$ 4-HYDROXYAESTERONE TMS URINE
100 430 O

80 73
60
Si
40 O
O

20 Si
306 341 434

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
Line#:26 R.Time:37.160(Scan#:6633) MassPeaks:358
RawMode:Averaged 37.155-37.165(6632-6634) BasePeak:41.30(6291)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
69
80
60
40
43 81
20 153 95 109 137 208 229 251
30 181 277293 312 329 357 392408 425 443 464 483 502 520 540 558 577 599 621 638 657 681 706 733 756 781

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:1 Entry:57904 Library:Wiley9.lib
SI:86 Formula:C10H18O CAS:106-25-2 MolWeight:154 RetIndex:0
CompName:Nerol (CAS) $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- (CAS) $$ cis-Geraniol $$ Neryl alcohol $$ Geranyl Alcohol $$ cis-3,7-Dimethyl-2,6-octadien-1-ol $$ 2-cis-3,7-Dimethyl-2,6-octadie
100 41 69
80
60 HO

40
20 93
43 55
65 77 97 121136

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:2 Entry:130618 Library:Wiley9.lib
SI:86 Formula:C13H22O CAS:139694-23-8 MolWeight:194 RetIndex:0
CompName:2,6-Octadiene, 3,7-dimethyl-1-(2-propenyloxy)- $$ (2E)-1-(Allyloxy)-3,7-dimethyl-2,6-octadiene $$ (2E)-1-(ALLYLOXY)-3,7-DIMETHYL-2,6-OCTADIENE # $$ 1-(ALLYLOXY)-3,7-D
100 41 69
80
60 O

40
20 81 93
39 55 95 123 194
27
65 112 151 179

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:3 Entry:57921 Library:Wiley9.lib
SI:86 Formula:C10H18O CAS:106-24-1 MolWeight:154 RetIndex:0
CompName:trans-Geraniol $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (E)- (CAS) $$ Guaniol $$ Lemonol $$ Geraniol $$ Geranyl alcohol $$ 2,6-Dimethyl-2,6-octadien-8-ol $$ 2,6-dimethyloctane-2,6-dien-8
100 41 69
80
60 HO

40
20 27
43
57 71 84 111 136 154

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:4 Entry:57907 Library:Wiley9.lib
SI:85 Formula:C10H18O CAS:106-25-2 MolWeight:154 RetIndex:0
CompName:Nerol (CAS) $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- (CAS) $$ cis-Geraniol $$ Neryl alcohol $$ Geranyl Alcohol $$ cis-3,7-Dimethyl-2,6-octadien-1-ol $$ 2-cis-3,7-Dimethyl-2,6-octadie
100 41 69
80
60 HO

40
68 93
20 28 55 84
18 51 107 123 154

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:5 Entry:57919 Library:Wiley9.lib
SI:85 Formula:C10H18O CAS:106-24-1 MolWeight:154 RetIndex:0
CompName:trans-Geraniol $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (E)- (CAS) $$ Guaniol $$ Lemonol $$ Geraniol $$ Geranyl alcohol $$ 2,6-Dimethyl-2,6-octadien-8-ol $$ 2,6-dimethyloctane-2,6-dien-8
100 41 69
80
60 HO

40
20 53 84 123
105 148

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
Line#:27 R.Time:38.430(Scan#:6887) MassPeaks:444
RawMode:Averaged 38.425-38.435(6886-6888) BasePeak:41.30(7520)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
137
60 43 69 81
40
95
20 109 152
30 155 171 208224239 264 290 307 331 355 383 417 448 472 504 522 551 574 592 613 641 664 682 710726 752 782

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:81230 Library:Wiley9.lib
SI:78 Formula:C11H20O CAS:98678-70-7 MolWeight:168 RetIndex:0
CompName:Cyclopropanemethanol, 2-methyl-2-(4-methyl-3-pentenyl)- $$ [2-Methyl-2-(4-methyl-3-pentenyl)cyclopropyl]methanol $$ [2-Methyl-2-(4-methyl-3-pentenyl)cyclopropyl]methanol (compu
100 69
41
80
60
OH
55
40 81
109
20 29 79 93 107
51 65 121 137

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:54050 Library:Wiley9.lib
SI:78 Formula:C10H16O CAS:141-27-5 MolWeight:152 RetIndex:0
CompName:E-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (E)- (CAS) $$ Geranial $$ trans-Citral $$ Citral a $$ Citral-a $$ (E)-Citral $$ Geranaldehyde $$ .alpha.-Citral $$ trans-3,7-Dimethyl-2,6-octadien
100 41 O
80 69
H
60
40
84
20 53
77 91 109 137152

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:219932 Library:Wiley9.lib
SI:78 Formula:C10H19BrO CAS:112-36-7 MolWeight:234 RetIndex:0
CompName:Ethane, 1,1'-oxybis[2-ethoxy- (CAS) $$ Bis(2-ethoxyethyl) ether $$ Diethyl carbitol $$ 3,6,9-Trioxaundecane $$ Diethyldiethylene glycol $$ Ether, bis(2-ethoxyethyl) $$ Diethylene glycol
100 137
80 41
81

60 95 O
55 O O
43 69
40
57
27
20 71 107
91 155

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:219935 Library:Wiley9.lib
SI:78 Formula:C10H19BrO CAS:0-00-0 MolWeight:234 RetIndex:0
CompName:5-(1-Bromo-1-methyl-ethyl)-2-methyl-cyclohexanol $$ 5-(1-BROMO-1-METHYLETHYL)-2-METHYLCYCLOHEXANOL
100 137
80 41
81 OH

60 95
55
43 69
40
57
27
20 71 107
91 155 Br

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:54061 Library:Wiley9.lib
SI:78 Formula:C10H16O CAS:106-26-3 MolWeight:152 RetIndex:0
CompName:Z-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (Z)- (CAS) $$ Neral $$ .beta.-Citral $$ cis-Citral $$ Citral b $$ cis-3,7-Dimethyl-2,6-octadienal $$ (Z)-3,7-Dimethyl-2,6-octadienal $$ citral-b $$
100 41
69
80 H
60
O
40
94 109
20 43 59 83 119
65 77 96 134 152

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:28 R.Time:38.935(Scan#:6988) MassPeaks:486
RawMode:Averaged 38.930-38.940(6987-6989) BasePeak:41.30(29854)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
137
60 69
81
40 55

20 96
152 238
109 156 172 306
30 206 264279 336 356 383398 430 450 469 504 525 544 570 589 613 640 660 677 714730 749 769 787

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:54050 Library:Wiley9.lib
SI:79 Formula:C10H16O CAS:141-27-5 MolWeight:152 RetIndex:0
CompName:E-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (E)- (CAS) $$ Geranial $$ trans-Citral $$ Citral a $$ Citral-a $$ (E)-Citral $$ Geranaldehyde $$ .alpha.-Citral $$ trans-3,7-Dimethyl-2,6-octadien
100 41 O
80 69
H
60
40
84
20 53
77 91 109 137152

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:55220 Library:Wiley9.lib
SI:79 Formula:C11H20 CAS:62108-28-5 MolWeight:152 RetIndex:0
CompName:1,7-NONADIENE, 4,8-DIMETHYL- $$ 4,8-DIMETHYLNONA-1,7-DIENE $$ 2,8-NONADIENE, 2,6-DIMETHYL- $$ 4,8-DIMETHYL-1,7-NONADIENE
100 41
69
80
60 55
40 81
20 27 43 95 109
56 70
84 123 152

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:357635 Library:Wiley9.lib
SI:79 Formula:C21H40 CAS:66326-27-0 MolWeight:292 RetIndex:0
CompName:1-N-UNDECYL-DECAHYDRONAPHTHALENE $$ 1-Undecyldecahydronaphthalene $$ 1-UNDECYL-DECAHYDRO-NAPHTHALENE $$ Naphthalene, decahydro-1-undecyl-
100 137
80
60 81
41 95
40 55
67
20 292
39 109
235

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:469393 Library:Wiley9.lib
SI:79 Formula:C25H48 CAS:66359-82-8 MolWeight:348 RetIndex:0
CompName:1-N-PENTADECYL-DECAHYDRONAPHTHALENE $$ 1-Pentadecyldecahydronaphthalene $$ 1-PENTADECYL-DECAHYDRO-NAPHTHALENE $$ Naphthalene, decahydro-1-pentad
100 137
80
60
41 81 95
40
67
20
39 109 348

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:326060 Library:Wiley9.lib
SI:79 Formula:C20H38 CAS:54964-84-0 MolWeight:278 RetIndex:0
CompName:Naphthalene, 2-decyldecahydro- (CAS) $$ 2-Decyldecahydronaphthalene $$ 2-DECYLDECALIN $$ 6-N-DECYL-DECAHYDRONAPHTHALENE $$ 2-DECYLDECAHYDRONAPHTH
100 137
80
81 95
60
41
40 55 67

20 138 278
109
151 207

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:29 R.Time:39.635(Scan#:7128) MassPeaks:413
RawMode:Averaged 39.630-39.640(7127-7129) BasePeak:41.30(16912)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
69
60
40 55 109
20 83
95 123138 248
30 167 191208 225 265 282 313 342 372 392 416 438 463478 504 525 544559 585 616 636 660 685 709 736 766

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:22182 Library:Wiley9.lib
SI:85 Formula:C9H16 CAS:68701-99-5 MolWeight:124 RetIndex:0
CompName:1,6-HEPTADIENE, 3,5-DIMETHYL- $$ 3,5-DIMETHYL-1,6-HEPTADIENE # $$ 3,5-DIMETHYL-1,6-HEPTADIENE
100 41
80 69
60
40 55
20 27 39 82 95 109
70
51 63 8191 105 124

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:84337 Library:Wiley9.lib
SI:83 Formula:C10H18O2 CAS:0-00-0 MolWeight:170 RetIndex:0
CompName:2(E)-(4-methyl-3-pentenyl)-buten-1,4-diol
100 41
69
80
60
40
55 OH
20 5767 109 HO
45 79 91 134 152

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:54053 Library:Wiley9.lib
SI:83 Formula:C10H16O CAS:141-27-5 MolWeight:152 RetIndex:0
CompName:E-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (E)- (CAS) $$ Geranial $$ trans-Citral $$ Citral a $$ Citral-a $$ (E)-Citral $$ Geranaldehyde $$ .alpha.-Citral $$ trans-3,7-Dimethyl-2,6-octadien
100 41 O
80 69
H
60
40
20 84
43 5565 77 94 109 137

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:57817 Library:Wiley9.lib
SI:82 Formula:C10H18O CAS:106-23-0 MolWeight:154 RetIndex:0
CompName:CITRONELLA $$ 6-Octenal, 3,7-dimethyl- (CAS) $$ Citronellal $$ Rhodinal $$ .beta.-Citronellal $$ 3,7-Dimethyl-6-octenal $$ 2,3-Dihydrocitral $$ 3,7 DIMETHYL 6 OCTENAL $$ Lev
100 41
80 69

60 O

40 55 95
20 84 111
44 72 136 154

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:55220 Library:Wiley9.lib
SI:82 Formula:C11H20 CAS:62108-28-5 MolWeight:152 RetIndex:0
CompName:1,7-NONADIENE, 4,8-DIMETHYL- $$ 4,8-DIMETHYLNONA-1,7-DIENE $$ 2,8-NONADIENE, 2,6-DIMETHYL- $$ 4,8-DIMETHYL-1,7-NONADIENE
100 41
69
80
60 55
40 81
20 27 43 95 109
56 70
84 123 152

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:30 R.Time:40.020(Scan#:7205) MassPeaks:382
RawMode:Averaged 40.015-40.025(7204-7206) BasePeak:41.30(10096)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41 69
80
60
40
123
20 53 81
95
30 109 135 153 176191208 231 251 272 305 334 363 380 404 425 444 464 484 507 531 549 568583 615 634 669 690 721737 759 779

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:57924 Library:Wiley9.lib
SI:86 Formula:C10H18O CAS:106-24-1 MolWeight:154 RetIndex:0
CompName:trans-Geraniol $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (E)- (CAS) $$ Guaniol $$ Lemonol $$ Geraniol $$ Geranyl alcohol $$ 2,6-Dimethyl-2,6-octadien-8-ol $$ 2,6-dimethyloctane-2,6-dien-8
100 69
41
80
60 HO

40
20
55
44 77 91 105 123 154

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:57919 Library:Wiley9.lib
SI:85 Formula:C10H18O CAS:106-24-1 MolWeight:154 RetIndex:0
CompName:trans-Geraniol $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (E)- (CAS) $$ Guaniol $$ Lemonol $$ Geraniol $$ Geranyl alcohol $$ 2,6-Dimethyl-2,6-octadien-8-ol $$ 2,6-dimethyloctane-2,6-dien-8
100 41 69
80
60 HO

40
20 53 84 123
105 148

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:36334 Library:Wiley9.lib
SI:85 Formula:C10H18 CAS:74630-87-8 MolWeight:138 RetIndex:0
CompName:1,6-OCTADIENE, 3,5-DIMETHYL-, CIS $$ 1,6-Octadiene, 3,5-dimethyl-, cis- $$ 1,6-Octadiene, 3,5-dimethyl-, trans- $$ 1,6-OCTADIEN, 3,5-DIMETHYL-, CIS $$ (6E)-3,5-Dimethyl-1,
100 69
80 41

60
40
20 39
53 68
24 81 95107 123138

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:36335 Library:Wiley9.lib
SI:85 Formula:C10H18 CAS:74630-87-8 MolWeight:138 RetIndex:0
CompName:(6E)-3,5-DIMETHYL-1,6-OCTADIENE # $$ (6E)-3,5-DIMETHYL-1,6-OCTADIENE $$ 1,6-OCTADIENE, 3,5-DIMETHYL-, CIS $$ 1,6-OCTADIENE, 3,5-DIMETHYL-, CIS- $$ 1,6-O
100 69
80 41

60
40
20 27 39 53 68
81 95107 123138

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:22178 Library:Wiley9.lib
SI:85 Formula:C9H16 CAS:34891-10-6 MolWeight:124 RetIndex:0
CompName:2,6-HEPTADIENE, 2,5-DIMETHYL-
100 69
80 41

60
40
20 27 81
53
30 42 65 77 95 109124

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:31 R.Time:40.140(Scan#:7229) MassPeaks:424
RawMode:Averaged 40.135-40.145(7228-7230) BasePeak:41.30(41902)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
60 69
40
43 81
20 95 109
137
30 163 192 220 238 260 289 307 327342357 378393 415430 460 486 510 529545 570 589 614 641 670 692 711 728 753 775

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:57903 Library:Wiley9.lib
SI:80 Formula:C10H18O CAS:106-25-2 MolWeight:154 RetIndex:0
CompName:Nerol (CAS) $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- (CAS) $$ cis-Geraniol $$ Neryl alcohol $$ Geranyl Alcohol $$ cis-3,7-Dimethyl-2,6-octadien-1-ol $$ 2-cis-3,7-Dimethyl-2,6-octadie
100 41
80
60 HO
69
40
20 27 93
43 5565 77
31 97 119

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:54066 Library:Wiley9.lib
SI:80 Formula:C10H16O CAS:5392-40-5 MolWeight:152 RetIndex:0
CompName:Citral $$ 2,6-Octadienal, 3,7-dimethyl- (CAS) $$ 3,7-Dimethyl-2,6-octadienal $$ 3,7-Dimethyl-1-2,6-octadienal $$ Citral,c&t $$ cis,trans-Citral $$ Geranial $$ NCI-C56348 $$ 3,7-Dimeth
100 41
69
80
60 O

40
84
20 27 94
43 59 70 83 109
137152

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:54070 Library:Wiley9.lib
SI:80 Formula:C10H16O CAS:106-26-3 MolWeight:152 RetIndex:0
CompName:Z-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (Z)- (CAS) $$ Neral $$ .beta.-Citral $$ cis-Citral $$ Citral b $$ cis-3,7-Dimethyl-2,6-octadienal $$ (Z)-3,7-Dimethyl-2,6-octadienal $$ citral-b $$
100 41
80 H
60 69
O
40
20 8494
43 59
105 121 139

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:54079 Library:Wiley9.lib
SI:80 Formula:C10H16O CAS:106-26-3 MolWeight:152 RetIndex:0
CompName:Z-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (Z)- (CAS) $$ Neral $$ .beta.-Citral $$ cis-Citral $$ Citral b $$ cis-3,7-Dimethyl-2,6-octadienal $$ (Z)-3,7-Dimethyl-2,6-octadienal $$ citral-b $$
100 41
80 H
60 69
O
40 39

20 53 67
45 77 91 107

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:54058 Library:Wiley9.lib
SI:80 Formula:C10H16O CAS:106-26-3 MolWeight:152 RetIndex:0
CompName:2,6-OCTADIENAL, 3,7-DIMETHYL- $$ 2,6-OCTADIENAL, 3,7-DIMETHYL-, (Z)- $$ (2E)-3,7-DIMETHYL-2,6-OCTADIENAL # $$ (2E)-3,7-DIMETHYL-2,6-OCTADIENAL $$ (2E)-
100 41
69
80 H
60
O
40
27 39
84
20 53 67 81 94 109
24 96 137152

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:32 R.Time:40.340(Scan#:7269) MassPeaks:452
RawMode:Averaged 40.335-40.345(7268-7270) BasePeak:41.30(20188)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
69
60
40
20 43
81
109 220
30 95 137 163 192 247 271 292 322 343 361 378 402 429 453 473 495 516532547 565 597 620 640 657 682 701 721 753 770 788

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:57903 Library:Wiley9.lib
SI:82 Formula:C10H18O CAS:106-25-2 MolWeight:154 RetIndex:0
CompName:Nerol (CAS) $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- (CAS) $$ cis-Geraniol $$ Neryl alcohol $$ Geranyl Alcohol $$ cis-3,7-Dimethyl-2,6-octadien-1-ol $$ 2-cis-3,7-Dimethyl-2,6-octadie
100 41
80
60 HO
69
40
20 27 93
43 5565 77
31 97 119

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:54070 Library:Wiley9.lib
SI:81 Formula:C10H16O CAS:106-26-3 MolWeight:152 RetIndex:0
CompName:Z-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (Z)- (CAS) $$ Neral $$ .beta.-Citral $$ cis-Citral $$ Citral b $$ cis-3,7-Dimethyl-2,6-octadienal $$ (Z)-3,7-Dimethyl-2,6-octadienal $$ citral-b $$
100 41
80 H
60 69
O
40
20 8494
43 59
105 121 139

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:54079 Library:Wiley9.lib
SI:81 Formula:C10H16O CAS:106-26-3 MolWeight:152 RetIndex:0
CompName:Z-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (Z)- (CAS) $$ Neral $$ .beta.-Citral $$ cis-Citral $$ Citral b $$ cis-3,7-Dimethyl-2,6-octadienal $$ (Z)-3,7-Dimethyl-2,6-octadienal $$ citral-b $$
100 41
80 H
60 69
O
40 39

20 53 67
45 77 91 107

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:54066 Library:Wiley9.lib
SI:81 Formula:C10H16O CAS:5392-40-5 MolWeight:152 RetIndex:0
CompName:Citral $$ 2,6-Octadienal, 3,7-dimethyl- (CAS) $$ 3,7-Dimethyl-2,6-octadienal $$ 3,7-Dimethyl-1-2,6-octadienal $$ Citral,c&t $$ cis,trans-Citral $$ Geranial $$ NCI-C56348 $$ 3,7-Dimeth
100 41
69
80
60 O

40
84
20 27 94
43 59 70 83 109
137152

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:54062 Library:Wiley9.lib
SI:81 Formula:C10H16O CAS:106-26-3 MolWeight:152 RetIndex:0
CompName:Z-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (Z)- (CAS) $$ Neral $$ .beta.-Citral $$ cis-Citral $$ Citral b $$ cis-3,7-Dimethyl-2,6-octadienal $$ (Z)-3,7-Dimethyl-2,6-octadienal $$ citral-b $$
100 41
80 69 H
60
O
40
20 8494 109
43 59
65 107119 137152

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:33 R.Time:40.800(Scan#:7361) MassPeaks:412
RawMode:Averaged 40.795-40.805(7360-7362) BasePeak:41.30(11883)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
60 69
40
20 43 81 109
30 94 135151 177 204 232 260 289 310 328343359 387 418 442 474 501 530546561 599 622 641 666 684 714 741 760 790

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:57903 Library:Wiley9.lib
SI:81 Formula:C10H18O CAS:106-25-2 MolWeight:154 RetIndex:0
CompName:Nerol (CAS) $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- (CAS) $$ cis-Geraniol $$ Neryl alcohol $$ Geranyl Alcohol $$ cis-3,7-Dimethyl-2,6-octadien-1-ol $$ 2-cis-3,7-Dimethyl-2,6-octadie
100 41
80
60 HO
69
40
20 27 93
43 5565 77
31 97 119

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:54070 Library:Wiley9.lib
SI:79 Formula:C10H16O CAS:106-26-3 MolWeight:152 RetIndex:0
CompName:Z-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (Z)- (CAS) $$ Neral $$ .beta.-Citral $$ cis-Citral $$ Citral b $$ cis-3,7-Dimethyl-2,6-octadienal $$ (Z)-3,7-Dimethyl-2,6-octadienal $$ citral-b $$
100 41
80 H
60 69
O
40
20 8494
43 59
105 121 139

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:54079 Library:Wiley9.lib
SI:79 Formula:C10H16O CAS:106-26-3 MolWeight:152 RetIndex:0
CompName:Z-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (Z)- (CAS) $$ Neral $$ .beta.-Citral $$ cis-Citral $$ Citral b $$ cis-3,7-Dimethyl-2,6-octadienal $$ (Z)-3,7-Dimethyl-2,6-octadienal $$ citral-b $$
100 41
80 H
60 69
O
40 39

20 53 67
45 77 91 107

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:54053 Library:Wiley9.lib
SI:79 Formula:C10H16O CAS:141-27-5 MolWeight:152 RetIndex:0
CompName:E-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (E)- (CAS) $$ Geranial $$ trans-Citral $$ Citral a $$ Citral-a $$ (E)-Citral $$ Geranaldehyde $$ .alpha.-Citral $$ trans-3,7-Dimethyl-2,6-octadien
100 41 O
80 69
H
60
40
20 84
43 5565 77 94 109 137

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:54071 Library:Wiley9.lib
SI:79 Formula:C10H16O CAS:106-26-3 MolWeight:152 RetIndex:0
CompName:Z-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (Z)- (CAS) $$ Neral $$ .beta.-Citral $$ cis-Citral $$ Citral b $$ cis-3,7-Dimethyl-2,6-octadienal $$ (Z)-3,7-Dimethyl-2,6-octadienal $$ citral-b $$
100 41
80 H
60 69
O
40
27
20 94
43 59 77 96 109 134

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:34 R.Time:41.245(Scan#:7450) MassPeaks:460
RawMode:Averaged 41.240-41.250(7449-7451) BasePeak:41.30(8190)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
60
69
40
20 43 81 109 137 96 163 192 220
30 246 274 299 319 343 367 397 415 432 460 480 499 516 546 566 583 608 642657 676 700 722 742 764 786

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:1 Entry:57903 Library:Wiley9.lib
SI:77 Formula:C10H18O CAS:106-25-2 MolWeight:154 RetIndex:0
CompName:Nerol (CAS) $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- (CAS) $$ cis-Geraniol $$ Neryl alcohol $$ Geranyl Alcohol $$ cis-3,7-Dimethyl-2,6-octadien-1-ol $$ 2-cis-3,7-Dimethyl-2,6-octadie
100 41
80
60 HO
69
40
20 27 93
43 5565 77
31 97 119

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:2 Entry:57919 Library:Wiley9.lib
SI:75 Formula:C10H18O CAS:106-24-1 MolWeight:154 RetIndex:0
CompName:trans-Geraniol $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (E)- (CAS) $$ Guaniol $$ Lemonol $$ Geraniol $$ Geranyl alcohol $$ 2,6-Dimethyl-2,6-octadien-8-ol $$ 2,6-dimethyloctane-2,6-dien-8
100 41 69
80
60 HO

40
20 53 84 123
105 148

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:3 Entry:35821 Library:Wiley9.lib
SI:74 Formula:C9H14O CAS:557-48-2 MolWeight:138 RetIndex:0
CompName:2,6-Nonadienal, (E,Z)- (CAS) $$ 2-trans-6-cis-Nonadienal $$ 2-trans-6-cis-Nonadien-1-al $$ Nonadien-2(trans)-6-(cis)-al $$ 2-(trans)-6-(cis)-Nonadienal $$ 2,6-Nonadienal $$ trans,cis-2,
100 41
80
O
60
70
40
27
20
4253
65 77 94 109

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:4 Entry:54070 Library:Wiley9.lib
SI:74 Formula:C10H16O CAS:106-26-3 MolWeight:152 RetIndex:0
CompName:Z-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (Z)- (CAS) $$ Neral $$ .beta.-Citral $$ cis-Citral $$ Citral b $$ cis-3,7-Dimethyl-2,6-octadienal $$ (Z)-3,7-Dimethyl-2,6-octadienal $$ citral-b $$
100 41
80 H
60 69
O
40
20 8494
43 59
105 121 139

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
Hit#:5 Entry:36023 Library:Wiley9.lib
SI:74 Formula:C9H14O CAS:0-00-0 MolWeight:138 RetIndex:0
CompName:TRANS,TRANS-2,4-NONADIENAL
100 41
80
60
69 O
40
20
53
63 7787 101 124

20 60 100 140 180 220 260 300 340 380 420 460 500 540 580 620 660 700 740 780
<< Target >>
Line#:35 R.Time:41.350(Scan#:7471) MassPeaks:447
RawMode:Averaged 41.345-41.355(7470-7472) BasePeak:41.30(19573)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
60
69
40
20 43 81 109
30 95 135 164 189 220 246 274 303 332 356 376 394 416 445 476 493509 538 555 576 598 630 666 693 724 747 765

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:1 Entry:206088 Library:Wiley9.lib
SI:76 Formula:C5H10Br2 CAS:626-87-9 MolWeight:228 RetIndex:0
CompName:Pentane, 1,4-dibromo- (CAS) $$ 1,4-Dibromopentane $$ EINECS 210-967-2 $$ NSC 8753 $$ PENTANE, 1,4-DIBROMO $$ PENTANE,1,4-DIBROMO
100 41
69
80
60 Br
27 39
40 Br
20 149
15 53 80 93 107

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:2 Entry:54053 Library:Wiley9.lib
SI:75 Formula:C10H16O CAS:141-27-5 MolWeight:152 RetIndex:0
CompName:E-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (E)- (CAS) $$ Geranial $$ trans-Citral $$ Citral a $$ Citral-a $$ (E)-Citral $$ Geranaldehyde $$ .alpha.-Citral $$ trans-3,7-Dimethyl-2,6-octadien
100 41 O
80 69
H
60
40
20 84
43 5565 77 94 109 137

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:3 Entry:57903 Library:Wiley9.lib
SI:75 Formula:C10H18O CAS:106-25-2 MolWeight:154 RetIndex:0
CompName:Nerol (CAS) $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- (CAS) $$ cis-Geraniol $$ Neryl alcohol $$ Geranyl Alcohol $$ cis-3,7-Dimethyl-2,6-octadien-1-ol $$ 2-cis-3,7-Dimethyl-2,6-octadie
100 41
80
60 HO
69
40
20 27 93
43 5565 77
31 97 119

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:4 Entry:54041 Library:Wiley9.lib
SI:75 Formula:C10H16O CAS:141-27-5 MolWeight:152 RetIndex:0
CompName:E-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (E)- (CAS) $$ Geranial $$ trans-Citral $$ Citral a $$ Citral-a $$ (E)-Citral $$ Geranaldehyde $$ .alpha.-Citral $$ trans-3,7-Dimethyl-2,6-octadien
100 41
69 O
80
H
60
40
84
20 94
43 5565 77 109 132 152

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:5 Entry:39064 Library:Wiley9.lib
SI:75 Formula:C10H20 CAS:0-00-0 MolWeight:140 RetIndex:0
CompName:unknown terpene in grapes
100 41
80 69
60
40 81

20 43 93
107

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
Line#:36 R.Time:41.415(Scan#:7484) MassPeaks:437
RawMode:Averaged 41.410-41.420(7483-7485) BasePeak:41.30(2974)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41 69
80
55
60
40 83
109 138
20 95 168 208 291
30 186 233 255 317 342 364 391 408 431447 475 500 523 541 567 583 605 624640 657 674 699714 732748 769 789

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:1 Entry:81231 Library:Wiley9.lib
SI:74 Formula:C11H20O CAS:59642-07-8 MolWeight:168 RetIndex:0
CompName:Ethanone, 1-(1,2,2,3-tetramethylcyclopentyl)-, (1R-cis)- $$ 1-(1,2,2,3-Tetramethylcyclopentyl)ethanone $$ 1-(1,2,2,3-TETRAMETHYLCYCLOPENTYL)ETHANONE # $$ 1-(1,2,2,3-TET
100 41
80 69

60 55
40 29
83
20 53 O
125
31 65 77 96 109

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:2 Entry:109917 Library:Wiley9.lib
SI:74 Formula:C11H20O2 CAS:105-85-1 MolWeight:184 RetIndex:0
CompName:6-Octen-1-ol, 3,7-dimethyl-, formate (CAS) $$ Citronellyl formate $$ METHANOIC ACID, 3,7-DIMETHYL-6-OCTEN-1-OL ESTER $$ Formic acid, citronellyl ester $$ Formic acid, 3,7-
100 41 69
80
55
60 O O

81 95
40
29 123
20 43 96 109
65 7784

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:3 Entry:54040 Library:Wiley9.lib
SI:74 Formula:C10H16O CAS:141-27-5 MolWeight:152 RetIndex:0
CompName:E-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (E)- (CAS) $$ Geranial $$ trans-Citral $$ Citral a $$ Citral-a $$ (E)-Citral $$ Geranaldehyde $$ .alpha.-Citral $$ trans-3,7-Dimethyl-2,6-octadien
100 41 69 O
80
H
60
40
59 8494 109
20 55
29 80 91 119134

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:4 Entry:138724 Library:Wiley9.lib
SI:74 Formula:C12H22O2 CAS:150-84-5 MolWeight:198 RetIndex:0
CompName:Citronellyl acetate $$ 6-Octen-1-ol, 3,7-dimethyl-, acetate (CAS) $$ Citronellol acetate (CAS) $$ Natural rhodinol, acetylated $$ 3,7-Dimethyl-6-octenyl acetate $$ .beta.-Citronellyl acetat
100 43
69
81
80 28
67 95 O
60 55
123
40 138
O
109
20 39 53 83
15 97 111 139

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:5 Entry:54076 Library:Wiley9.lib
SI:74 Formula:C10H16O CAS:5392-40-5 MolWeight:152 RetIndex:0
CompName:Citral $$ 2,6-Octadienal, 3,7-dimethyl- (CAS) $$ 3,7-Dimethyl-2,6-octadienal $$ 3,7-Dimethyl-1-2,6-octadienal $$ Citral,c&t $$ cis,trans-Citral $$ Geranial $$ NCI-C56348 $$ 3,7-Dimeth
100 41 69
80
60 O

40
59 8494 109
20 55
29 80 91 119134

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
<< Target >>
Line#:37 R.Time:41.960(Scan#:7593) MassPeaks:494
RawMode:Averaged 41.955-41.965(7592-7594) BasePeak:41.30(71130)
BG Mode:Calc. from Peak Group 1 - Event 1 Scan
100 41
80
60 69
40
20 43 109 81 95 137 163 192 220 246
30 274 297 317 343 378 402 430 454 472 499 517 544 573 600 618 642 670 691 709 726 744760

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:1 Entry:57903 Library:Wiley9.lib
SI:81 Formula:C10H18O CAS:106-25-2 MolWeight:154 RetIndex:0
CompName:Nerol (CAS) $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- (CAS) $$ cis-Geraniol $$ Neryl alcohol $$ Geranyl Alcohol $$ cis-3,7-Dimethyl-2,6-octadien-1-ol $$ 2-cis-3,7-Dimethyl-2,6-octadie
100 41
80
60 HO
69
40
20 27 93
43 5565 77
31 97 119

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:2 Entry:57919 Library:Wiley9.lib
SI:79 Formula:C10H18O CAS:106-24-1 MolWeight:154 RetIndex:0
CompName:trans-Geraniol $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (E)- (CAS) $$ Guaniol $$ Lemonol $$ Geraniol $$ Geranyl alcohol $$ 2,6-Dimethyl-2,6-octadien-8-ol $$ 2,6-dimethyloctane-2,6-dien-8
100 41 69
80
60 HO

40
20 53 84 123
105 148

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:3 Entry:206088 Library:Wiley9.lib
SI:79 Formula:C5H10Br2 CAS:626-87-9 MolWeight:228 RetIndex:0
CompName:Pentane, 1,4-dibromo- (CAS) $$ 1,4-Dibromopentane $$ EINECS 210-967-2 $$ NSC 8753 $$ PENTANE, 1,4-DIBROMO $$ PENTANE,1,4-DIBROMO
100 41
69
80
60 Br
27 39
40 Br
20 149
15 53 80 93 107

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:4 Entry:206089 Library:Wiley9.lib
SI:78 Formula:C5H10Br2 CAS:626-87-9 MolWeight:228 RetIndex:0
CompName:Pentane, 1,4-dibromo- (CAS) $$ 1,4-Dibromopentane $$ EINECS 210-967-2 $$ NSC 8753 $$ PENTANE, 1,4-DIBROMO $$ PENTANE,1,4-DIBROMO
100 41 69
80
60 Br
27
40 Br
39
149
20 55 107
15
63 80 93 135

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770
Hit#:5 Entry:54053 Library:Wiley9.lib
SI:78 Formula:C10H16O CAS:141-27-5 MolWeight:152 RetIndex:0
CompName:E-Citral $$ 2,6-Octadienal, 3,7-dimethyl-, (E)- (CAS) $$ Geranial $$ trans-Citral $$ Citral a $$ Citral-a $$ (E)-Citral $$ Geranaldehyde $$ .alpha.-Citral $$ trans-3,7-Dimethyl-2,6-octadien
100 41 O
80 69
H
60
40
20 84
43 5565 77 94 109 137

10 50 90 130 170 210 250 290 330 370 410 450 490 530 570 610 650 690 730 770

Method

[Comment]

===== Analytical Line 1 =====

[AOC-20i+s]
# of Rinses with Presolvent :2
# of Rinses with Solvent(post) :10
# of Rinses with Sample :2
Plunger Speed(Suction) :High
Viscosity Comp. Time :0.2 sec
Plunger Speed(Injection) :High
Syringe Insertion Speed :High
Injection Mode :Normal
Pumping Times :5
Inj. Port Dwell Time :0.3 sec
Terminal Air Gap :No
Plunger Washing Speed :High
Washing Volume :8uL
Syringe Suction Position :0.0 mm
Syringe Injection Position :0.0 mm
Solvent Selection :only A

[GC-2010]
Column Oven Temp. :40.0 °C
Injection Temp. :250.00 °C
Injection Mode :Split
Flow Control Mode :Pressure
Pressure :24.9 kPa
Total Flow :31.7 mL/min
Column Flow :0.70 mL/min
Linear Velocity :30.2 cm/sec
Purge Flow :3.0 mL/min
Split Ratio :40.0
High Pressure Injection :OFF
Carrier Gas Saver :OFF
Splitter Hold :OFF
Oven Temp. Program
Rate Temperature(°C) Hold Time(min)
- 40.0 3.00
5.00 250.0 5.00

< Ready Check Heat Unit >

Column Oven : Yes
SPL1 : Yes
MS : Yes
< Ready Check Detector(FTD/BID) >
< Ready Check Baseline Drift >
< Ready Check Injection Flow >
SPL1 Carrier : Yes
SPL1 Purge : Yes
< Ready Check APC Flow >
< Ready Check Detector APC Flow >
External Wait :No
Equilibrium Time :3.0 min

[GC Program]

[GCMS-QP2010 Ultra]
IonSourceTemp :200.00 °C
Interface Temp. :250.00 °C
Solvent Cut Time :0.50 min
Detector Gain Mode :Relative to the Tuning Result
Detector Gain :1.00 kV +0.00 kV
Threshold :0

[MS Table]
--Group 1 - Event 1--
Start Time :4.00min
End Time :50.00min
ACQ Mode :Scan
Event Time :0.30sec
Scan Speed :3333
Start m/z :30.00
End m/z :800.00

Sample Inlet Unit :GC

[MS Program]
Use MS Program :OFF