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5/22/2013 15:26:47
Lab.KIMIA FMIPA - UB
AdminAnalyzed by : Admin
Sample Name : M.Citrus Hystrix
Sample ID : 22 05 13
Data File : C:\GCMSsolution\Data\atsiri\Dina Putri 94.QGD
Method File : M.Atsiri
Tuning File : C:\GCMSsolution\System\Tune1\Tuning 2-7-2013.qgt
Chromatogram M.Citrus Hystrix C:\GCMSsolution\Data\atsiri\Dina Putri 94.QGD
11,000,000 TIC
24
16
17
76
2
18
35
20
57
56
45
23
3
37
26 25 27
43
4142
19 21
40
32 3331
8 11 10
4
12 13
29 28
34
1
46
38
39
22
36
47
48
53
54
51
9
14
50
55
15
49
44
52
30
5
10.0 20.0 30.0 39.0
min
Peak Report TIC
Peak# R.Time I.Time F.Time Area Area% Height Height% A/H Mark Name
1 5.103 5.058 5.150 3211071 0.43 1408652 1.10 2.27
2 5.772 5.683 5.817 33603955 4.47 8642996 6.73 3.88
3 5.862 5.817 5.908 6095985 0.81 2774864 2.16 2.19 V
4 5.951 5.908 6.000 3847736 0.51 1746500 1.36 2.20 V
5 6.504 6.450 6.575 539158 0.07 175785 0.14 3.06 MI
6 6.756 6.592 6.833 75904468 10.10 9046591 7.04 8.39
7 6.842 6.833 6.883 6022039 0.80 8705337 6.78 0.69 V
8 6.983 6.933 7.017 475554 0.06 236360 0.18 2.01 MI
9 7.091 7.017 7.133 1871203 0.25 825632 0.64 2.26 MI
10 7.248 7.200 7.300 3816276 0.51 1724517 1.34 2.21
11 7.414 7.358 7.467 1447808 0.19 561540 0.44 2.57 MI
12 7.789 7.733 7.842 1297718 0.17 539632 0.42 2.40 MI
13 7.912 7.858 7.975 3970715 0.53 1287625 1.00 3.08
14 8.613 8.542 8.650 1688775 0.22 548342 0.43 3.07 MI
15 8.690 8.650 8.767 1475753 0.20 438158 0.34 3.36 MI
16 8.916 8.800 9.042 106600267 14.18 9509439 7.40 11.20 V
17 8.916 4.125 9.442 278505858 37.05 9598282 7.47 29.01 MI
18 9.050 9.042 9.083 7957146 1.06 8223059 6.40 0.96 V
19 9.171 9.083 9.217 2984162 0.40 934191 0.73 3.19 V
20 9.456 9.392 9.508 14072003 1.87 5320631 4.14 2.64
21 9.638 9.508 9.692 5045411 0.67 1911447 1.49 2.63 V
22 9.737 9.692 9.775 1936164 0.26 775023 0.60 2.49 MI
23 9.974 9.908 10.058 9980012 1.33 2431002 1.89 4.10
24 10.202 10.058 10.275 64169908 8.54 9843580 7.66 6.51
25 10.473 10.400 10.517 2997455 0.40 1186554 0.92 2.52 MI
26 10.561 10.517 10.600 1195108 0.16 486939 0.38 2.45 MI
27 10.664 10.608 10.717 6021018 0.80 2084081 1.62 2.88 V
28 10.861 10.817 10.900 609140 0.08 239947 0.19 2.53 MI
29 10.940 10.900 10.983 685261 0.09 305526 0.24 2.24 MI
30 11.207 11.150 11.317 1432050 0.19 381062 0.30 3.75 MI
31 11.626 11.483 11.667 8945859 1.19 1656838 1.29 5.39 MI
32 11.704 11.667 11.742 968056 0.13 350059 0.27 2.76 MI
33 11.795 11.742 11.842 948916 0.13 345573 0.27 2.74 MI
34 11.955 11.900 11.983 3342930 0.44 1157315 0.90 2.88
35 12.047 11.983 12.100 14654018 1.95 5321030 4.14 2.75 V
36 12.289 12.242 12.392 2746221 0.37 813362 0.63 3.37 MI
37 12.489 12.442 12.542 5216559 0.69 2273237 1.77 2.29
38 12.632 12.575 12.683 2199653 0.29 893408 0.70 2.46 MI
39 12.814 12.750 12.842 2191880 0.29 855838 0.67 2.56 MI
40 12.882 12.842 12.933 4454717 0.59 1901954 1.48 2.34 V
41 13.333 13.283 13.375 3988121 0.53 1641387 1.28 2.42
42 13.413 13.375 13.467 4847620 0.64 1934475 1.51 2.50 V
43 13.554 13.475 13.608 2011965 0.27 496430 0.39 4.05 MI
44 13.809 13.692 13.875 1711358 0.23 432188 0.34 3.95 MI
45 14.384 14.333 14.442 7327631 0.97 3045879 2.37 2.40
46 14.663 14.567 14.742 3386479 0.45 1147602 0.89 2.95 MI
47 15.013 14.950 15.075 1871172 0.25 696111 0.54 2.68 MI
48 15.597 15.525 15.658 2130662 0.28 679038 0.53 3.13 MI
49 16.417 16.367 16.517 1568318 0.21 382023 0.30 4.10 MI
50 16.675 16.633 16.733 1335467 0.18 493635 0.38 2.70 MI
51 19.426 19.325 19.483 1557680 0.21 595779 0.46 2.61 MI
52 20.152 20.067 20.192 1236487 0.16 387758 0.30 3.18 MI
53 20.411 20.350 20.483 1799759 0.24 611607 0.48 2.94 MI
54 21.023 20.975 21.067 1377729 0.18 523997 0.41 2.62 MI
55 21.107 21.058 21.158 1018100 0.14 359116 0.28 2.83 MI
56 23.712 23.658 23.767 8290438 1.10 3356655 2.61 2.46
57 26.158 26.100 26.217 11051682 1.47 4245231 3.30 2.60
1 / 34
5/22/2013 15:26:47
Peak# R.Time I.Time F.Time Area Area% Height Height% A/H Mark Name
751638654 100.00 128490819 100.00
Library
<< Target >>
Line#:1 R.Time:5.100(Scan#:133) MassPeaks:49
RawMode:Averaged 5.092-5.108(132-134) BasePeak:93.10(347325)
BG Mode:Calc. from Peak Group 1 - Event 1
100 93
77
41 121
53 67 105 136
40
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:1 Entry:26447 Library:WILEY7.LIB
SI:98 Formula:C10 H16 CAS:80-56-8 MolWeight:136 RetIndex:0
CompName:.ALPHA.-PINENE, (-)- $$ Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl- (CAS) Pinene $$ 2-Pinene $$ .alpha.-Pinene $$ 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene $$ .alpha.-(+)-Pinene $$
100 93
Me
Me Me
77
39
53 67 105 121 136
37
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:2 Entry:26444 Library:WILEY7.LIB
SI:98 Formula:C10 H16 CAS:80-56-8 MolWeight:136 RetIndex:0
CompName:.ALPHA.-PINENE, (-)- $$ Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl- (CAS) Pinene $$ 2-Pinene $$ .alpha.-Pinene $$ 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene $$ .alpha.-(+)-Pinene $$
100 93
Me
Me Me
77
39
27 105 121
53 67 136
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:3 Entry:26441 Library:WILEY7.LIB
SI:97 Formula:C10 H16 CAS:80-56-8 MolWeight:136 RetIndex:0
CompName:.ALPHA.-PINENE, (-)- $$ Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl- (CAS) Pinene $$ 2-Pinene $$ .alpha.-Pinene $$ 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene $$ .alpha.-(+)-Pinene $$
100 93
Me
Me Me
77
27 41
53 105 121 136
67
20 30 40 50 60 70 80 90 100 110 120 130
<< Target >>
Line#:2 R.Time:5.775(Scan#:214) MassPeaks:66
RawMode:Averaged 5.767-5.783(213-215) BasePeak:93.10(2222296)
BG Mode:Calc. from Peak Group 1 - Event 1
100 93
77
41
69 136
43 107 121
40
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:1 Entry:26425 Library:WILEY7.LIB
SI:97 Formula:C10 H16 CAS:3387-41-5 MolWeight:136 RetIndex:0
CompName:Sabinene $$ Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)- (CAS) 4(10)-Thujene $$ Sabinen $$ (+)-Sabinene $$ THUJENE, 4(10)- $$ 1-Isopropyl-4-methylenebicyclo[3.1.0]h
100 93
Pr-i
77
41
136
69 CH 2
29 43 121
107
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:2 Entry:26356 Library:WILEY7.LIB
SI:97 Formula:C10 H16 CAS:555-10-2 MolWeight:136 RetIndex:0
CompName:.beta.-Phellandrene $$ Cyclohexene, 3-methylene-6-(1-methylethyl)- (CAS) 3-ISOPROPYL-6-METHYLENE-CYCLOHEXENE, 2-PARA-MENTHADIENE $$ p-Mentha-1(7),2-dien
100 93
Pr-i
77
H2C
39 136
27 43 65
107 121
20 30 40 50 60 70 80 90 100 110 120 130
2 / 34
5/22/2013 15:26:47
Hit#:3 Entry:26430 Library:WILEY7.LIB
SI:96 Formula:C10 H16 CAS:3387-41-5 MolWeight:136 RetIndex:0
CompName:Sabinene $$ Bicyclo[3.1.0]hexane, 4-methylene-1-(1-methylethyl)- (CAS) 4(10)-Thujene $$ Sabinen $$ (+)-Sabinene $$ THUJENE, 4(10)- $$ 1-Isopropyl-4-methylenebicyclo[3.1.0]h
100 93
Pr-i
77
41
27
53 69 136
CH 2
107 121
20 30 40 50 60 70 80 90 100 110 120 130
<< Target >>
Line#:3 R.Time:5.858(Scan#:224) MassPeaks:54
RawMode:Averaged 5.850-5.867(223-225) BasePeak:93.10(652559)
BG Mode:Calc. from Peak Group 1 - Event 1
100 93
41
69
79
53 121 136
40 107
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
Hit#:1 Entry:26459 Library:WILEY7.LIB
SI:97 Formula:C10 H16 CAS:18172-67-3 MolWeight:136 RetIndex:0
CompName:l-.beta.-Pinene $$ Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)- (CAS) .BETA.-PINENE $$ (-)-2(10)-Pinene $$ (-)-.beta.-Pinene $$ 2(10)-Pinene, (1S,5S)-(-)- $$
100 93
Me
Me CH 2
41
69
27 79
53 121 136
107
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
Hit#:2 Entry:26466 Library:WILEY7.LIB
SI:96 Formula:C10 H16 CAS:127-91-3 MolWeight:136 RetIndex:0
CompName:2-.BETA.-PINENE $$ Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene- (CAS) .beta.-Pinene $$ Nopinen $$ Nopinene $$ Pseudopinen $$ Pseudopinene $$ 2(10)-Pinene $$ Terebenth
100 93
Me
Me CH 2
41 69
79
39 53 121 136
107
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
Hit#:3 Entry:26462 Library:WILEY7.LIB
SI:96 Formula:C10 H16 CAS:18172-67-3 MolWeight:136 RetIndex:0
CompName:(-)-.beta.-Pinene $$ 6,6-DIMETHYL-2-METHYLENEBICYCLO[3.1.1]-HEPTANE $$ l-.beta.-Pinene $$ Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)- (CAS) .BETA.-PIN
100 93
Me
Me CH 2
41 69
77
53 121 136
40 107
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
<< Target >>
Line#:4 R.Time:5.950(Scan#:235) MassPeaks:47
RawMode:Averaged 5.942-5.958(234-236) BasePeak:41.10(355797)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41 93
69
53 79
40 107 121 136
10 20 30 40 50 60 70 80 90 100 110 120 130
Hit#:1 Entry:26199 Library:WILEY7.LIB
SI:97 Formula:C10 H16 CAS:123-35-3 MolWeight:136 RetIndex:0
CompName:.beta.-Myrcene $$ 1,6-Octadiene, 7-methyl-3-methylene- (CAS) 2-Methyl-6-methylene-2,7-octadiene $$ 2-ETHENYL-6-METHYL-1,5-HEPTADIENE $$ Myrcene $$ 7-Methyl-3-me
100 41
93
69
CH 2
Me 2 C CH CH 2 CH 2 CCH CH 2
27
53 79
107 121 136
10 20 30 40 50 60 70 80 90 100 110 120 130
3 / 34
5/22/2013 15:26:47
Hit#:2 Entry:26198 Library:WILEY7.LIB
SI:96 Formula:C10 H16 CAS:123-35-3 MolWeight:136 RetIndex:0
CompName:.beta.-Myrcene $$ 1,6-Octadiene, 7-methyl-3-methylene- (CAS) 2-Methyl-6-methylene-2,7-octadiene $$ 2-ETHENYL-6-METHYL-1,5-HEPTADIENE $$ Myrcene $$ 7-Methyl-3-me
100 41 69 93
CH 2
Me 2 C CH CH 2 CH 2 CCH CH 2
53 79
29 107 121 136
10 20 30 40 50 60 70 80 90 100 110 120 130
Hit#:3 Entry:26194 Library:WILEY7.LIB
SI:96 Formula:C10 H16 CAS:123-35-3 MolWeight:136 RetIndex:0
CompName:.beta.-Myrcene $$ 1,6-Octadiene, 7-methyl-3-methylene- (CAS) 2-Methyl-6-methylene-2,7-octadiene $$ 2-ETHENYL-6-METHYL-1,5-HEPTADIENE $$ Myrcene $$ 7-Methyl-3-me
100 41
93
69
CH 2
Me 2 C CH CH 2 CH 2 CCH CH 2
27
53 79
107 121 136
10 20 30 40 50 60 70 80 90 100 110 120 130
<< Target >>
Line#:5 R.Time:6.500(Scan#:301) MassPeaks:30
RawMode:Averaged 6.492-6.508(300-302) BasePeak:93.10(30372)
BG Mode:Calc. from Peak Group 1 - Event 1
100 93 121
136
77
41 43 105
65
40
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:1 Entry:25524 Library:WILEY7.LIB
SI:95 Formula:C10 H16 CAS:0-00-0 MolWeight:136 RetIndex:0
CompName:(+)-2-CARENE $$
100 93 121
136
79
41 43 105
67
38
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:2 Entry:26238 Library:WILEY7.LIB
SI:95 Formula:C10 H16 CAS:99-86-5 MolWeight:136 RetIndex:0
CompName:.alpha.-Terpinene $$ 1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- (CAS) 1,3-P-MENTHADIENE $$ 1-Methyl-4-isopropyl-1,3-cyclohexadiene $$ Terpilene $$ .alpha.-Terpinen $
100 121
93
Pr-i
136
27 39 77
43 105 Me
65
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:3 Entry:26347 Library:WILEY7.LIB
SI:94 Formula:C10 H16 CAS:586-62-9 MolWeight:136 RetIndex:0
CompName:.ALPHA.-TERPINOLENE $$ Cyclohexene, 1-methyl-4-(1-methylethylidene)- (CAS) 1,4(8)-P-MENTHADIENE $$ 1-METHYLENE-4-ISOPROPYLENECYCLOHEXANE $$ Terpi
100 93 121
136
CMe 2
79
41
43 105 Me
67
20 30 40 50 60 70 80 90 100 110 120 130
<< Target >>
Line#:6 R.Time:6.758(Scan#:332) MassPeaks:71
RawMode:Averaged 6.750-6.767(331-333) BasePeak:68.10(705371)
BG Mode:Calc. from Peak Group 1 - Event 1
100 68
93
79
53 107 121
136
40
20 30 40 50 60 70 80 90 100 110 120 130
4 / 34
5/22/2013 15:26:47
Hit#:1 Entry:26384 Library:WILEY7.LIB
SI:95 Formula:C10 H16 CAS:464-17-5 MolWeight:136 RetIndex:0
CompName:Bornylene $$ Bicyclo[2.2.1]hept-2-ene, 1,7,7-trimethyl- (CAS) 2-Bornene $$ 1,7,7-Trimethylnorbornene $$ 1,7,7-Trimethyl-2-norbornene $$ 1,7,7-Trimethylbicyclo[2.2.1]hept-2-ene
100 68
Me
93
Me
41 53 79
27 107 121 Me136
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:2 Entry:26298 Library:WILEY7.LIB
SI:95 Formula:C10 H16 CAS:5989-27-5 MolWeight:136 RetIndex:0
CompName:Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)- (CAS) D-1,8(9)-P-MENTHADIENE,(D-1-METHYL-4-ISOPROPENYLCYCLOHEXENE $$ d-Limonene $$ (+)-Limonene $$ D-(+
100 68
CH 2
CMe
93
41 53 79 136
27 107 121
Me
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:3 Entry:26309 Library:WILEY7.LIB
SI:95 Formula:C10 H16 CAS:5989-27-5 MolWeight:136 RetIndex:0
CompName:Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)- (CAS) D-1,8(9)-P-MENTHADIENE,(D-1-METHYL-4-ISOPROPENYLCYCLOHEXENE $$ d-Limonene $$ (+)-Limonene $$ d-(+
100 68
CH 2
93
CMe
41 53 79
107 121 136
Me
38
20 30 40 50 60 70 80 90 100 110 120 130
<< Target >>
Line#:7 R.Time:6.842(Scan#:342) MassPeaks:30
RawMode:Averaged 6.833-6.850(341-343) BasePeak:68.10(57988)
BG Mode:Calc. from Peak Group 1 - Event 1
100 68
42 81 84 111 139 154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:941 Library:WILEY7.LIB
SI:82 Formula:C3 H4 N2 CAS:288-32-4 MolWeight:68 RetIndex:0
CompName:1H-Imidazole (CAS) Imutex $$ Miazole $$ Imidazol $$ Imidazole $$ Glyoxalin $$ Glyoxaline $$ 1,3-Diazole $$ 1,3-Diaza-2,4-cyclopentadiene $$ Methanimidamide, N,N'-1,2-ethene
100 68
41
HN N
27 42 70
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:2 Entry:44520 Library:WILEY7.LIB
SI:81 Formula:C9 H17 N O CAS:0-00-0 MolWeight:155 RetIndex:0
CompName:(1S,3R,4R)-3-(2-Hydroxy-2-propyl)-2-azabicyclo[2.2.1]heptane $$
100 68
59
96
140
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:943 Library:WILEY7.LIB
SI:81 Formula:C3 H4 N2 CAS:288-32-4 MolWeight:68 RetIndex:0
CompName:1H-Imidazole (CAS) Imutex $$ Miazole $$ Imidazol $$ Imidazole $$ Glyoxalin $$ Glyoxaline $$ 1,3-Diazole $$ 1,3-Diaza-2,4-cyclopentadiene $$ Methanimidamide, N,N'-1,2-ethene
100 68
41 HN N
27 42 70
20 30 40 50 60 70 80 90 100 110 120 130 140 150
5 / 34
5/22/2013 15:26:47
<< Target >>
Line#:8 R.Time:6.983(Scan#:359) MassPeaks:31
RawMode:Averaged 6.975-6.992(358-360) BasePeak:93.10(40450)
BG Mode:Calc. from Peak Group 1 - Event 1
100 93
79
41
53 67 105 121
40 136
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:1 Entry:26155 Library:WILEY7.LIB
SI:96 Formula:C10 H16 CAS:3779-61-1 MolWeight:136 RetIndex:0
CompName:1,3,6-Octatriene, 3,7-dimethyl-, (E)- (CAS) .BETA. OCIMENE Y $$ trans-.beta.-Ocimene $$ .beta.-trans-Ocimene $$ Ocimene, trans-.beta.- $$ trans-3,7-Dimethyl-1,3,6-octatriene $$
100 93
79 H2 C CH CMe CHCH 2CH CMe 2
41
105 121
53 67 136
38
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:2 Entry:26156 Library:WILEY7.LIB
SI:94 Formula:C10 H16 CAS:3779-61-1 MolWeight:136 RetIndex:0
CompName:1,3,6-Octatriene, 3,7-dimethyl-, (E)- (CAS) .BETA. OCIMENE Y $$ trans-.beta.-Ocimene $$ .beta.-trans-Ocimene $$ Ocimene, trans-.beta.- $$ trans-3,7-Dimethyl-1,3,6-octatriene $$
100 93
41 79 H2 C CH CMe CHCH 2CH CMe 2
53
67 105 121
38
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:3 Entry:26179 Library:WILEY7.LIB
SI:94 Formula:C10 H16 CAS:502-99-8 MolWeight:136 RetIndex:0
CompName:1,3,7-OCTATRIENE, 3,7-DIMETHYL- $$
100 93
H 2 C CMe CH 2 CH 2 CH CMe CH CH 2
41 79
27
53 105 121
67
136
20 30 40 50 60 70 80 90 100 110 120 130
<< Target >>
Line#:9 R.Time:7.092(Scan#:372) MassPeaks:41
RawMode:Averaged 7.083-7.100(371-373) BasePeak:82.05(178877)
BG Mode:Calc. from Peak Group 1 - Event 1
100 82
41 67
55
95 107 122 140
30 40 50 60 70 80 90 100 110 120 130 140
Hit#:1 Entry:29212 Library:WILEY7.LIB
SI:97 Formula:C9 H16 O CAS:106-72-9 MolWeight:140 RetIndex:0
CompName:2,6-DIMETHYL HEPT-5-EN-1-AL $$
100 82
67
41
OCHCHMe CH 2 CH 2 CH CMe 2
55
91 107 122 140
30 40 50 60 70 80 90 100 110 120 130 140
Hit#:2 Entry:29214 Library:WILEY7.LIB
SI:96 Formula:C9 H16 O CAS:106-72-9 MolWeight:140 RetIndex:0
CompName:2,6-DIMETHYL HEPT-5-1-AL $$
100 82
41 67
OCHCHMe CH 2 CH 2 CH CMe 2
55
84 98 122 140
30 40 50 60 70 80 90 100 110 120 130 140
6 / 34
5/22/2013 15:26:47
Hit#:3 Entry:29797 Library:WILEY7.LIB
SI:96 Formula:C9 H16 O CAS:106-72-9 MolWeight:140 RetIndex:0
CompName:5-Heptenal, 2,6-dimethyl- (CAS) Melonal $$ 2,6-Dimethyl-5-heptenal $$ 2,6-dimethyl 5-heptenal $$ 2,6-Dimethyl-5-hepten-1-al $$ 2,6-Dimethyl-5-heptanal $$
100 82
41
67 OCHCHMe CH 2 CH 2 CH CMe 2
55
84 98 122 140
30 40 50 60 70 80 90 100 110 120 130 140
<< Target >>
Line#:10 R.Time:7.250(Scan#:391) MassPeaks:56
RawMode:Averaged 7.242-7.258(390-392) BasePeak:93.10(364789)
BG Mode:Calc. from Peak Group 1 - Event 1
100 93
77 136
43 121
41 105
65
40
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:1 Entry:26279 Library:WILEY7.LIB
SI:97 Formula:C10 H16 CAS:99-85-4 MolWeight:136 RetIndex:0
CompName:.gamma.-Terpinene $$ 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- (CAS) 1-ISOPROPYL-4-METHYL-1,4-CYCLOHEXADIENE $$ Moslene $$ Crithmene $$ p-Mentha-1,4-di
100 93
Pr-i
121 136
77
41
43 Me
65 105
40
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:2 Entry:26280 Library:WILEY7.LIB
SI:97 Formula:C10 H16 CAS:99-85-4 MolWeight:136 RetIndex:0
CompName:.gamma.-Terpinene $$ 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- (CAS) 1-ISOPROPYL-4-METHYL-1,4-CYCLOHEXADIENE $$ Moslene $$ Crithmene $$ p-Mentha-1,4-di
100 93
Pr-i
77
121 136
39
Me
27 43 65 105
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:3 Entry:26277 Library:WILEY7.LIB
SI:96 Formula:C10 H16 CAS:99-85-4 MolWeight:136 RetIndex:0
CompName:.gamma.-Terpinene $$ 1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- (CAS) 1-ISOPROPYL-4-METHYL-1,4-CYCLOHEXADIENE $$ Moslene $$ Crithmene $$ p-Mentha-1,4-di
100 93
Pr-i
77 136
27 39 43 Me121
65 105
20 30 40 50 60 70 80 90 100 110 120 130
<< Target >>
Line#:11 R.Time:7.417(Scan#:411) MassPeaks:58
RawMode:Averaged 7.408-7.425(410-412) BasePeak:43.10(65213)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43 71
93
41 69 111
121
139
40 140 154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:42856 Library:WILEY7.LIB
SI:94 Formula:C10 H18 O CAS:546-79-2 MolWeight:154 RetIndex:0
CompName:TRANS-SABINENE HYDRATE $$ TRANS-THUJAN-4-OL $$
100 43 71 93
Pr-i
41
69 111 121
27 136 HO Me
154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
7 / 34
5/22/2013 15:26:47
Hit#:2 Entry:44050 Library:WILEY7.LIB
SI:93 Formula:C10 H18 O CAS:17699-16-0 MolWeight:154 RetIndex:0
CompName:trans Sabinene hydrate $$
100 43 71
93
111
41 69 121
39 139
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:44028 Library:WILEY7.LIB
SI:92 Formula:C10 H18 O CAS:15826-82-1 MolWeight:154 RetIndex:0
CompName:cis-sabinene hydrate $$ Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1.alpha.,2.beta.,5.alpha.)-(.+-.)- (CAS) 4-Thujanol, cis-(.+-.)- (CAS) 4-Thujanol, (.+-.)-cis- $$ dl-cis-Sa
100 43
71
93
41
69 111
39 121 139
140 154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
<< Target >>
Line#:12 R.Time:7.792(Scan#:456) MassPeaks:50
RawMode:Averaged 7.783-7.800(455-457) BasePeak:93.10(75872)
BG Mode:Calc. from Peak Group 1 - Event 1
100 93
121
136
79
41 105
43
67
40
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:1 Entry:26340 Library:WILEY7.LIB
SI:96 Formula:C10 H16 CAS:586-62-9 MolWeight:136 RetIndex:0
CompName:.ALPHA.-TERPINOLENE $$ Cyclohexene, 1-methyl-4-(1-methylethylidene)- (CAS) 1,4(8)-P-MENTHADIENE $$ 1-METHYLENE-4-ISOPROPYLENECYCLOHEXANE $$ Terpi
100 93
121 CMe 2
136
79
41
105 Me
27 43
67
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:2 Entry:26337 Library:WILEY7.LIB
SI:95 Formula:C10 H16 CAS:586-62-9 MolWeight:136 RetIndex:0
CompName:.ALPHA.-TERPINOLENE $$ Cyclohexene, 1-methyl-4-(1-methylethylidene)- (CAS) 1,4(8)-P-MENTHADIENE $$ 1-METHYLENE-4-ISOPROPYLENECYCLOHEXANE $$ Terpi
100 93 121
136 2
CMe
79
41
43 105 Me
67
40
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:3 Entry:26335 Library:WILEY7.LIB
SI:95 Formula:C10 H16 CAS:586-62-9 MolWeight:136 RetIndex:0
CompName:.ALPHA.-TERPINOLENE $$ Cyclohexene, 1-methyl-4-(1-methylethylidene)- (CAS) 1,4(8)-P-MENTHADIENE $$ 1-METHYLENE-4-ISOPROPYLENECYCLOHEXANE $$ Terpi
100 93
121
CMe
136 2
41 79
27
43
67
105 Me
20 30 40 50 60 70 80 90 100 110 120 130
<< Target >>
Line#:13 R.Time:7.908(Scan#:470) MassPeaks:59
RawMode:Averaged 7.900-7.917(469-471) BasePeak:71.05(176359)
BG Mode:Calc. from Peak Group 1 - Event 1
100 71
93
41 43
69
121
40 109 136
20 30 40 50 60 70 80 90 100 110 120 130
8 / 34
5/22/2013 15:26:47
Hit#:1 Entry:42910 Library:WILEY7.LIB
SI:97 Formula:C10 H18 O CAS:78-70-6 MolWeight:154 RetIndex:0
CompName:L-LINALOOL $$
100 71
41 43
93
H2 C CH CMe(OH) CH 2CH 2 CH CMe 2
69
121
107 136
31
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:2 Entry:43686 Library:WILEY7.LIB
SI:96 Formula:C10 H18 O CAS:78-70-6 MolWeight:154 RetIndex:0
CompName:Linalool $$ 1,6-Octadien-3-ol, 3,7-dimethyl- (CAS) Linalol $$ .beta.-Linalool $$ Linalyl alcohol $$
100 71
41
43
93
H2 C CH CMe(OH) CH 2CH 2 CH CMe 2
69
27
121
107 136
20 30 40 50 60 70 80 90 100 110 120 130
Hit#:3 Entry:43693 Library:WILEY7.LIB
SI:95 Formula:C10 H18 O CAS:78-70-6 MolWeight:154 RetIndex:0
CompName:Linalool $$ 1,6-Octadien-3-ol, 3,7-dimethyl- (CAS) Linalol $$ .beta.-Linalool $$ Linalyl alcohol $$ 2,6-Dimethyl-2,7-octadien-6-ol $$ allo-Ocimenol $$ p-Linalool $$ LINOLOOL (D
100 71
41
43 93
69
H2 C CH CMe(OH) CH 2CH 2 CH CMe 2
121
29 136
107
20 30 40 50 60 70 80 90 100 110 120 130
<< Target >>
Line#:14 R.Time:8.608(Scan#:554) MassPeaks:55
RawMode:Averaged 8.600-8.617(553-555) BasePeak:43.10(58517)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43
67
41
79 93 109 137
123
40 152
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:41161 Library:WILEY7.LIB
SI:96 Formula:C10 H16 O CAS:1195-92-2 MolWeight:152 RetIndex:0
CompName:Limonene oxide $$ 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)- (CAS) DIPENTENE OXIDE $$ Limonene epoxide $$ Limonene 1,2-oxide $$ Limonene 1,2-epoxide $
100 43
Me
O
67
41
79 93 109 CMe
27 137
119 CH 2
152
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:2 Entry:41162 Library:WILEY7.LIB
SI:93 Formula:C10 H16 O CAS:1195-92-2 MolWeight:152 RetIndex:0
CompName:Limonene oxide $$ 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)- (CAS) DIPENTENE OXIDE $$ Limonene epoxide $$ Limonene 1,2-oxide $$ Limonene 1,2-epoxide $
100 43
Me
67 O
41
94
79 108
CMe
27 137
123 CH 2
152
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:40212 Library:WILEY7.LIB
SI:91 Formula:C10 H16 O CAS:13837-75-7 MolWeight:152 RetIndex:0
CompName:CIS-LIMONENE OXIDE $$
100 43 67
41
79 93 109
137
119
38
20 30 40 50 60 70 80 90 100 110 120 130 140 150
9 / 34
5/22/2013 15:26:47
<< Target >>
Line#:15 R.Time:8.692(Scan#:564) MassPeaks:49
RawMode:Averaged 8.683-8.700(563-565) BasePeak:43.05(51631)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43
94
67
41 79 108
40 119 134
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:41162 Library:WILEY7.LIB
SI:92 Formula:C10 H16 O CAS:1195-92-2 MolWeight:152 RetIndex:0
CompName:Limonene oxide $$ 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)- (CAS) DIPENTENE OXIDE $$ Limonene epoxide $$ Limonene 1,2-oxide $$ Limonene 1,2-epoxide $
100 43
Me
67 O
41
94
79 108
CMe
27 137
123 CH 2
152
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:2 Entry:40213 Library:WILEY7.LIB
SI:91 Formula:C10 H16 O CAS:4959-35-7 MolWeight:152 RetIndex:0
CompName:TRANS-LIMONENE OXIDE $$
100 43
67
39 79 94
108
38 119 137
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:41163 Library:WILEY7.LIB
SI:90 Formula:C10 H16 O CAS:1195-92-2 MolWeight:152 RetIndex:0
CompName:Limonene oxide $$ 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)- (CAS) DIPENTENE OXIDE $$ Limonene epoxide $$ Limonene 1,2-oxide $$ Limonene 1,2-epoxide $
100 43
Me
41 67
39 81 94 108 CMe
123 137 CH 2
20 30 40 50 60 70 80 90 100 110 120 130 140 150
<< Target >>
Line#:16 R.Time:8.917(Scan#:591) MassPeaks:75
RawMode:Averaged 8.908-8.925(590-592) BasePeak:41.05(823467)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41 69
55 95
111 121
83
40 139 154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:43609 Library:WILEY7.LIB
SI:97 Formula:C10 H18 O 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 $$ L
100 41 69
55 95 OCH CH 2 CHMe CH 2 CH 2 CH CMe 2
39 70 111 121
136 154
140
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:2 Entry:43602 Library:WILEY7.LIB
SI:96 Formula:C10 H18 O CAS:106-23-0 MolWeight:154 RetIndex:0
CompName:CITRONELLA $$ 6-Octenal, 3,7-dimethyl- (CAS) Citronellal $$ Rhodinal $$ .beta.-Citronellal $$ 3,7-Dimethyl-6-octenal $$ 2,3-Dihydrocitral $$ 3,7 DIMETHYL 6 OCTENAL $$ L
100 41 69
55 95 OCH CH 2 CHMe CH 2 CH 2 CH CMe 2
27 70 111
154
112 136
20 30 40 50 60 70 80 90 100 110 120 130 140 150
10 / 34
5/22/2013 15:26:47
Hit#:3 Entry:43606 Library:WILEY7.LIB
SI:95 Formula:C10 H18 O 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 $$ L
100 41
69
95 OCH CH 2 CHMe CH 2 CH 2 CH CMe 2
55
121
83 111
136 154
38
20 30 40 50 60 70 80 90 100 110 120 130 140 150
<< Target >>
Line#:17 R.Time:8.917(Scan#:591) MassPeaks:58
RawMode:Averaged 8.908-8.925(590-592) BasePeak:41.05(1229192)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41 69
95
55
121
70 109
40 139
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:43609 Library:WILEY7.LIB
SI:90 Formula:C10 H18 O CAS:106-23-0 MolWeight:154 RetIndex:0
CompName:CITRONELLA $$ 6-Octenal, 3,7-dimethyl- (CAS) Citronellal $$ Rhodinal $$ .beta.-Citronellal $$ 3,7-Dimethyl-6-octenal $$ 2,3-Dihydrocitral $$ 3,7 DIMETHYL 6 OCTENAL $$ L
100 41 69
55 95 OCH CH 2 CHMe CH 2 CH 2 CH CMe 2
39 70 111 121
136 154
140
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:2 Entry:43606 Library:WILEY7.LIB
SI:89 Formula:C10 H18 O 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 $$ L
100 41
69
95 OCH CH 2 CHMe CH 2 CH 2 CH CMe 2
55
121
83 111
136 154
38
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:43601 Library:WILEY7.LIB
SI:88 Formula:C10 H18 O CAS:106-23-0 MolWeight:154 RetIndex:0
CompName:CITRONELLA $$ 6-Octenal, 3,7-dimethyl- (CAS) Citronellal $$ Rhodinal $$ .beta.-Citronellal $$ 3,7-Dimethyl-6-octenal $$ 2,3-Dihydrocitral $$
100 41
69
OCH CH 2 CHMe CH 2 CH 2 CH CMe 2
27 55
95
70 110 121
136 154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
<< Target >>
Line#:18 R.Time:9.050(Scan#:607) MassPeaks:74
RawMode:Averaged 9.042-9.058(606-608) BasePeak:41.05(225256)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41 69
55
95
70 111 121
40 139 154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:43609 Library:WILEY7.LIB
SI:96 Formula:C10 H18 O CAS:106-23-0 MolWeight:154 RetIndex:0
CompName:CITRONELLA $$ 6-Octenal, 3,7-dimethyl- (CAS) Citronellal $$ Rhodinal $$ .beta.-Citronellal $$ 3,7-Dimethyl-6-octenal $$ 2,3-Dihydrocitral $$ 3,7 DIMETHYL 6 OCTENAL $$ L
100 41 69
55 95 OCH CH 2 CHMe CH 2 CH 2 CH CMe 2
39 70 111 121
136 154
140
20 30 40 50 60 70 80 90 100 110 120 130 140 150
11 / 34
5/22/2013 15:26:47
Hit#:2 Entry:43605 Library:WILEY7.LIB
SI:96 Formula:C10 H18 O 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 $$ L
100 41
69
OCH CH 2 CHMe CH 2 CH 2 CH CMe 2
55
95
27
81 111 121 154
136
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:43606 Library:WILEY7.LIB
SI:95 Formula:C10 H18 O CAS:106-23-0 MolWeight:154 RetIndex:0
CompName:CITRONELLA $$ 6-Octenal, 3,7-dimethyl- (CAS) Citronellal $$ Rhodinal $$ .beta.-Citronellal $$ 3,7-Dimethyl-6-octenal $$ 2,3-Dihydrocitral $$ 3,7 DIMETHYL 6 OCTENAL $$ L
100 41
69
95 OCH CH 2 CHMe CH 2 CH 2 CH CMe 2
55
121
83 111
136 154
38
20 30 40 50 60 70 80 90 100 110 120 130 140 150
<< Target >>
Line#:19 R.Time:9.167(Scan#:621) MassPeaks:63
RawMode:Averaged 9.158-9.175(620-622) BasePeak:41.05(59519)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41
69
55 71
95 121
111
136
40 154
140
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:43878 Library:WILEY7.LIB
SI:96 Formula:C10 H18 O CAS:7786-67-6 MolWeight:154 RetIndex:0
CompName:Cyclohexanol, 5-methyl-2-(1-methylethenyl)- $$ p-Menth-8-en-3-ol $$ Isopregol $$ Isopulegol $$ 1-Methyl-4-isopropenylcyclohexan-3-ol $$ 8(9)-p-Menthen-3-ol $$
100 41
55 69
71
CMe CH 2
84
121
111 OH
Me
136
154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:2 Entry:43877 Library:WILEY7.LIB
SI:95 Formula:C10 H18 O CAS:7786-67-6 MolWeight:154 RetIndex:0
CompName:Cyclohexanol, 5-methyl-2-(1-methylethenyl)- $$ p-Menth-8-en-3-ol $$ Isopregol $$ Isopulegol $$ 1-Methyl-4-isopropenylcyclohexan-3-ol $$ 8(9)-p-Menthen-3-ol $$
100 41 67
81
55 CMe CH 2
93 121
111 OH
27
Me
136
154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:43853 Library:WILEY7.LIB
SI:95 Formula:C10 H18 O CAS:89-79-2 MolWeight:154 RetIndex:0
CompName:(-)-Isopulegol $$ Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, [1R-(1.alpha.,2.beta.,5.alpha.)]- (CAS) l-Isopulegol $$ Isopulegol $$ p-Menth-8-en-3-ol, (1R,3R,4S)-(-)- $$ iso-Pulego
100 41
68
81
CMe CH 2
55 84
121
111 136 OH
27 Me
154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
<< Target >>
Line#:20 R.Time:9.458(Scan#:656) MassPeaks:80
RawMode:Averaged 9.450-9.467(655-657) BasePeak:71.05(946770)
BG Mode:Calc. from Peak Group 1 - Event 1
100 71
43 93 111
41 69
136 154
40 112 140
20 30 40 50 60 70 80 90 100 110 120 130 140 150
12 / 34
5/22/2013 15:26:47
Hit#:1 Entry:43755 Library:WILEY7.LIB
SI:97 Formula:C10 H18 O CAS:562-74-3 MolWeight:154 RetIndex:0
CompName:3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- (CAS) 4-Terpineol $$ Terpinene-4-ol $$ 1-Terpinen-4-ol $$ 4-Carvomenthenol $$ p-Menth-1-en-4-ol $$ TERPINEOL-4 $$ Terpinen-
100 71
OH
Pr-i
43 111
93
41 69
Me
136 154
39 112
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:2 Entry:43754 Library:WILEY7.LIB
SI:96 Formula:C10 H18 O CAS:562-74-3 MolWeight:154 RetIndex:0
CompName:3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- (CAS) 4-Terpineol $$ TERPINENE-4-OL $$ 1-Terpinen-4-ol $$ 4-Carvomenthenol $$ p-Menth-1-en-4-ol $$
100 71
OH
Pr-i
111
93
43
41 69
27 Me 154
136
112
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:43759 Library:WILEY7.LIB
SI:96 Formula:C10 H18 O CAS:562-74-3 MolWeight:154 RetIndex:0
CompName:3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)- (CAS) 4-Terpineol $$ Terpinene-4-ol $$ 1-Terpinen-4-ol $$ 4-Carvomenthenol $$ p-Menth-1-en-4-ol $$ TERPINEOL-4 $$ Terpinen-
100 71
OH
Pr-i
111
43 93
41 69
39 Me 154
121 136
20 30 40 50 60 70 80 90 100 110 120 130 140 150
<< Target >>
Line#:21 R.Time:9.642(Scan#:678) MassPeaks:70
RawMode:Averaged 9.633-9.650(677-679) BasePeak:59.05(306304)
BG Mode:Calc. from Peak Group 1 - Event 1
100 59
93
81 121
43 136
41
40 107
140
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:43777 Library:WILEY7.LIB
SI:97 Formula:C10 H18 O CAS:98-55-5 MolWeight:154 RetIndex:0
CompName:3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl- (CAS) CYCLOHEXENE, 1-METHYL-4-(2-PROPANOL-2-YL)- $$ 4-(1-HYDROXY-1-METHYLETHYL)-1-METHYLCYCL
100 59
CMe 2 OH
93
121 136
43 81
Me
41
27 107
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:2 Entry:43792 Library:WILEY7.LIB
SI:97 Formula:C10 H18 O CAS:10482-56-1 MolWeight:154 RetIndex:0
CompName:3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)- (CAS) p-Menth-1-en-8-ol, (S)-(-)- $$ ALPHA-TERPINEOL $$ (-)-.alpha.-Terpineol $$ (+)-ALPHA-TERPINEOL (P-MEN
100 59
CMe 2 OH
93
121 136
43 81
41 Me
39 107
148
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:43785 Library:WILEY7.LIB
SI:96 Formula:C10 H18 O CAS:10482-56-1 MolWeight:154 RetIndex:0
CompName:3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)- (CAS) p-Menth-1-en-8-ol, (S)-(-)- $$ ALPHA-TERPINEOL $$ (-)-.alpha.-Terpineol $$ (+)-ALPHA-TERPINEOL (P-MEN
100 59
CMe 2 OH
93
43 121
81 136
41 Me
27
107
20 30 40 50 60 70 80 90 100 110 120 130 140 150
13 / 34
5/22/2013 15:26:47
<< Target >>
Line#:22 R.Time:9.733(Scan#:689) MassPeaks:64
RawMode:Averaged 9.725-9.742(688-690) BasePeak:41.10(48878)
BG Mode:Calc. from Peak Group 1 - Event 1
100 4143
67
82 84
109 112
40 137 152
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:46067 Library:WILEY7.LIB
SI:88 Formula:C10 H20 O CAS:112-31-2 MolWeight:156 RetIndex:0
CompName:Decanal (CAS) n-Decanal $$ Decyl aldehyde $$ Decaldehyde $$ Capraldehyde $$ Aldehyde C10 $$ Decanaldehyde $$ n-Decaldehyde $$ Caprinaldehyde $$ Capric aldehyde $$ Decy
100 41
43 57
82 OCH (CH 2 ) 8 Me
95
110
38 128
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:2 Entry:46076 Library:WILEY7.LIB
SI:87 Formula:C10 H20 O CAS:112-31-2 MolWeight:156 RetIndex:0
CompName:Decanal (CAS) n-Decanal $$ Decyl aldehyde $$ Decaldehyde $$ Capraldehyde $$ Aldehyde C10 $$ Decanaldehyde $$ n-Decaldehyde $$ Caprinaldehyde $$ Capric aldehyde $$ Decy
100 41 43 57
29
70
OCH (CH 2 ) 8 Me
112
95
110
128 157
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:42947 Library:WILEY7.LIB
SI:86 Formula:C10 H18 O CAS:21290-09-5 MolWeight:154 RetIndex:0
CompName:NEOISO(ISO)PULEGOL $$
100 41
55 67
71 121
27 95
111
139
154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
<< Target >>
Line#:23 R.Time:9.975(Scan#:718) MassPeaks:56
RawMode:Averaged 9.967-9.983(717-719) BasePeak:69.10(465267)
BG Mode:Calc. from Peak Group 1 - Event 1
100 69
55
41 83
125
40 97 109 126 143
20 30 40 50 60 70 80 90 100 110 120 130 140
Hit#:1 Entry:65494 Library:WILEY7.LIB
SI:84 Formula:C8 H17 N O3 CAS:2882-67-9 MolWeight:175 RetIndex:0
CompName:1-OCTANOL, 2-NITRO- $$
100 69 55
41
27
83
85 109 128 144
112
20 30 40 50 60 70 80 90 100 110 120 130 140
Hit#:2 Entry:98098 Library:WILEY7.LIB
SI:83 Formula:C11 H22 O3 CAS:71271-24-4 MolWeight:202 RetIndex:0
CompName:Methyl 2-hydroxydecanoate $$ DECANOIC ACID, 2-HYDROXY-, METHYL ESTER $$
100 69
41
43
83
27
90
103 125 143
20 30 40 50 60 70 80 90 100 110 120 130 140
14 / 34
5/22/2013 15:26:47
Hit#:3 Entry:73887 Library:WILEY7.LIB
SI:83 Formula:C12 H22 O CAS:74646-36-9 MolWeight:182 RetIndex:0
CompName:1-Dodecyn-4-ol (CAS)
100 69
55
41 HC C CH 2 CH(OH) (CH 2 ) 7 Me
83
27 143
97 125
20 30 40 50 60 70 80 90 100 110 120 130 140
<< Target >>
Line#:24 R.Time:10.200(Scan#:745) MassPeaks:70
RawMode:Averaged 10.192-10.208(744-746) BasePeak:41.05(1320190)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41 69
55 81
95
109 123
138
156
30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:46130 Library:WILEY7.LIB
SI:98 Formula:C10 H20 O 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 $$ D-CITR
100 41 69
55 81
HOCH 2 CH 2 CHMe CH 2 CH 2 CH CMe 2
95
109 123 138
156
30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:2 Entry:46127 Library:WILEY7.LIB
SI:96 Formula:C10 H20 O CAS:106-22-9 MolWeight:156 RetIndex:0
CompName:.beta.-Citronellol $$ 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
69
55 81 HOCH 2 CH 2 CHMe CH 2 CH 2 CH CMe 2
95
109 123
138 156
30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:46136 Library:WILEY7.LIB
SI:96 Formula:C10 H20 O 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 $$ D-CITR
100 41
69
55 81 HOCH 2 CH 2 CHMe CH 2 CH 2 CH CMe 2
95
123
109 138 156
30 40 50 60 70 80 90 100 110 120 130 140 150
<< Target >>
Line#:25 R.Time:10.475(Scan#:778) MassPeaks:60
RawMode:Averaged 10.467-10.483(777-779) BasePeak:41.05(173323)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41 69
55
81
95 109 123
40 126 141
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:46126 Library:WILEY7.LIB
SI:92 Formula:C10 H20 O CAS:106-22-9 MolWeight:156 RetIndex:0
CompName:.beta.-Citronellol $$ 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
69
55
HOCH 2 CH 2 CHMe CH 2 CH 2 CH CMe 2
82
27 95
109 123
138 156
20 30 40 50 60 70 80 90 100 110 120 130 140 150
15 / 34
5/22/2013 15:26:47
Hit#:2 Entry:46133 Library:WILEY7.LIB
SI:91 Formula:C10 H20 O 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 $$ D-CITR
100 41
69
55
71 HOCH 2 CH 2 CHMe CH 2 CH 2 CH CMe 2
27 95
109 123
138 156
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:46124 Library:WILEY7.LIB
SI:91 Formula:C10 H20 O CAS:106-22-9 MolWeight:156 RetIndex:0
CompName:.beta.-Citronellol $$ 6-Octen-1-ol, 3,7-dimethyl- (CAS) Citronellol $$ Rodinol $$ Cephrol $$ 3,7-Dimethyl-6-octen-1-ol $$ 2,3-Dihydrogeraniol $$
100 41
69
55 HOCH 2 CH 2 CHMe CH 2 CH 2 CH CMe 2
82
95
27
109 123
138 156
20 30 40 50 60 70 80 90 100 110 120 130 140 150
<< Target >>
Line#:26 R.Time:10.558(Scan#:788) MassPeaks:58
RawMode:Averaged 10.550-10.567(787-789) BasePeak:69.05(96192)
BG Mode:Calc. from Peak Group 1 - Event 1
100 69
41
82 93
54 108 123
40 139 150
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:42946 Library:WILEY7.LIB
SI:92 Formula:C10 H18 O CAS:106-24-1 MolWeight:154 RetIndex:0
CompName:GERANIOL $$
100 41 69
Me 2 C CH CH 2 CH 2 CMe CHCH 2 OH
27 93
53 70 123
111 136
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:2 Entry:43648 Library:WILEY7.LIB
SI:90 Formula:C10 H18 O CAS:106-25-2 MolWeight:154 RetIndex:0
CompName:Nerol $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)- (CAS) cis-Geraniol $$ Neryl alcohol $$
100 41 69
HOCH 2 CH CMe CH 2 CH 2 CH CMe 2
27 93
53 70 111 121 136 154
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:43655 Library:WILEY7.LIB
SI:90 Formula:C10 H18 O CAS:106-25-2 MolWeight:154 RetIndex:0
CompName:Nerol $$ 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-octadien-1-o
100 41 69
HOCH 2 CH CMe CH 2 CH 2 CH CMe 2
93
27 43 70 111 123 136 154
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150
<< Target >>
Line#:27 R.Time:10.667(Scan#:801) MassPeaks:63
RawMode:Averaged 10.658-10.675(800-802) BasePeak:59.10(293381)
BG Mode:Calc. from Peak Group 1 - Event 1
100 59
41
97
71
40 98 112 127 155
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160
16 / 34
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Hit#:1 Entry:78633 Library:WILEY7.LIB
SI:86 Formula:C12 H26 O CAS:91482-38-1 MolWeight:186 RetIndex:0
CompName:1-Decanol, 5,9-dimethyl- $$
100 41 59
83
97 157
40 112 126 168
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160
Hit#:2 Entry:191829 Library:WILEY7.LIB
SI:84 Formula:C18 H35 N O CAS:301-02-0 MolWeight:281 RetIndex:0
CompName:9-Octadecenamide, (Z)- (CAS) OLEOAMIDE $$ OELIC ACID AMIDE $$ Oleamide $$ Adogen 73 $$ Oleylamide $$ Slip-ezeCI) $$ Oleic acid amide $$ Slip-eze $$ Armoslip CP $$
100 43 59
41
72 H 2 N CO (CH 2 ) 7 CH CH (CH 2 ) 7 Me
27 97
122 136
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160
Hit#:3 Entry:61112 Library:WILEY7.LIB
SI:84 Formula:C10 H18 O2 CAS:5989-33-3 MolWeight:170 RetIndex:0
CompName:LINALOOL OXIDE (2) $$ 2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-, cis- (CAS) Linalyl oxide $$ Linalool oxide $$ Linalool oxide B $$ cis-Linalyl oxide $$ c
100 59
OH
43
CMe
41
O Me
27 Me
81 94
111 H 2 C CH
112 137 155
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160
<< Target >>
Line#:28 R.Time:10.858(Scan#:824) MassPeaks:39
RawMode:Averaged 10.850-10.867(823-825) BasePeak:69.10(39486)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41 69
55 81 95
123
109 138
40
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:41411 Library:WILEY7.LIB
SI:90 Formula:C11 H20 CAS:62108-28-5 MolWeight:152 RetIndex:0
CompName:4,8-DIMETHYLNONA-1,7-DIENE $$ 1,7-Nonadiene, 4,8-dimethyl- (CAS) 4,8-Dimethyl-1,7-nonadiene $$ 2,8-NONADIENE, 2,6-DIMETHYL- $$
100 41
69
55 Me 2C CH CH 2 CH 2 CHMe CH 2CH CH 2
81
95 109
27
123 137 152
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:2 Entry:27551 Library:WILEY7.LIB
SI:90 Formula:C10 H18 CAS:62238-28-2 MolWeight:138 RetIndex:0
CompName:1,6-Heptadiene, 2,5,5-trimethyl- (CAS)
100 41
69
55
H 2 C CH CMe 2 CH 2 CH 2 CMe CH 2
95
70
27
109 123
138
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:76818 Library:WILEY7.LIB
SI:89 Formula:C11 H20 O2 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 $$ Formic acid, 3,
100 41 69
55
O CH O CH 2 CH 2CHMe CH 2 CH 2 CH CMe 2
81 95
123
27 109 138
20 30 40 50 60 70 80 90 100 110 120 130 140 150
17 / 34
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<< Target >>
Line#:29 R.Time:10.942(Scan#:834) MassPeaks:50
RawMode:Averaged 10.933-10.950(833-835) BasePeak:109.05(62660)
BG Mode:Calc. from Peak Group 1 - Event 1
100 109
43 127
81
41 85
67 119
40 155
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:31553 Library:WILEY7.LIB
SI:81 Formula:C8 H14 O2 CAS:142-30-3 MolWeight:142 RetIndex:0
CompName:3-Hexyne-2,5-diol, 2,5-dimethyl- (CAS) D 43 $$ 2,5-Dimethyl-3-hexyn-2,5-diol $$ Kemitracin-50 $$ Dimethylhexynediol $$ Tetramethylbutynediol $$ 2,5-Dimethyl-3-hexyne-2,5-dio
100 109
81
Me 2 COH C CCMe 2 OH
43 127
39 69 95
15 112
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:2 Entry:31552 Library:WILEY7.LIB
SI:80 Formula:C8 H14 O2 CAS:142-30-3 MolWeight:142 RetIndex:0
CompName:3-Hexyne-2,5-diol, 2,5-dimethyl- (CAS) D 43 $$ 2,5-DIMETHYL-3-HEXYN-2,5-DIOL $$ Kemitracin-50 $$ Dimethylhexynediol $$ Tetramethylbutynediol $$
100 43
109
81 Me 2 COH C CCMe 2 OH
41 69 127
27 91 112
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:41065 Library:WILEY7.LIB
SI:77 Formula:C10 H16 O CAS:43219-68-7 MolWeight:152 RetIndex:0
CompName:Ethanone, 1-(1,4-dimethyl-3-cyclohexen-1-yl)- (CAS) 1,4-DIMETHYLCYCLOHEX-3-ENYL METHYLKETONE $$ 1,4-Dimethyl-3-cyclohexenyl methyl ketone $$ 1,4-Dimethyl-.d
100 109
67
Me
Ac
43
137
41 81
93 Me 152
119
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150
<< Target >>
Line#:30 R.Time:11.208(Scan#:866) MassPeaks:67
RawMode:Averaged 11.200-11.217(865-867) BasePeak:109.05(50495)
BG Mode:Calc. from Peak Group 1 - Event 1
100 109
43
81
127
41 85
67 119
40 150 155
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:1 Entry:125773 Library:WILEY7.LIB
SI:76 Formula:C13 H20 O3 CAS:0-00-0 MolWeight:224 RetIndex:0
CompName:4-(1,5-DIHYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENYL)-BUT-3-EN-2-ONE $$
100 43
109
41
81
163
27 69 91 121 135
153 181 206
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:2 Entry:40083 Library:WILEY7.LIB
SI:75 Formula:C10 H16 O CAS:0-00-0 MolWeight:152 RetIndex:0
CompName:THUJOL $$
100 43 109
91
41 67
27 77 137
119
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
18 / 34
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Hit#:3 Entry:31552 Library:WILEY7.LIB
SI:75 Formula:C8 H14 O2 CAS:142-30-3 MolWeight:142 RetIndex:0
CompName:3-Hexyne-2,5-diol, 2,5-dimethyl- (CAS) D 43 $$ 2,5-DIMETHYL-3-HEXYN-2,5-DIOL $$ Kemitracin-50 $$ Dimethylhexynediol $$ Tetramethylbutynediol $$
100 43
109
81 Me 2 COH C CCMe 2 OH
41 69 127
27 91 112
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
Line#:31 R.Time:11.625(Scan#:916) MassPeaks:78
RawMode:Averaged 11.617-11.633(915-917) BasePeak:69.10(272464)
BG Mode:Calc. from Peak Group 1 - Event 1
100 69
41
55 95
110
70
152
40 114 139 170
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
Hit#:1 Entry:92880 Library:WILEY7.LIB
SI:85 Formula:C12 H22 O2 CAS:0-00-0 MolWeight:198 RetIndex:0
CompName:3,7-DIMETHYL-OCT-6-ENOIC ACID ETHYL ESTER $$
100 69
41
110
55
95 152
27 82
115 198
137 155
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
Hit#:2 Entry:76009 Library:WILEY7.LIB
SI:85 Formula:C11 H20 O2 CAS:2270-60-2 MolWeight:184 RetIndex:0
CompName:6-Octenoic acid, 3,7-dimethyl-, methyl ester (CAS) Methyl citronellate $$ Methyl 3,7-dimethyl-6-octenoate $$
100 41
69
95 Me OC(O) CH 2CHMe CH 2CH 2 CH CMe 2
55
110
39 82
152
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
Hit#:3 Entry:74435 Library:WILEY7.LIB
SI:85 Formula:C11 H18 O2 CAS:105875-70-5 MolWeight:182 RetIndex:0
CompName:(1rs,2rs)-2-methyl-2-(4'-methyl-3'pentenyl)cyclopropanecarboxylic acid $$ Cyclopropanecarboxylic acid, 2-methyl-2-(4-methyl-3-pentenyl)-, trans-(.+-.)- (CAS) 2,2-DIMETHYL-1-(2-
100 69
41
55
82 95
27 109
113 139 182
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
<< Target >>
Line#:32 R.Time:11.700(Scan#:925) MassPeaks:63
RawMode:Averaged 11.692-11.708(924-926) BasePeak:97.05(35248)
BG Mode:Calc. from Peak Group 1 - Event 1
100 97 112
43 83
41
69
109 135
40 152 170
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170
Hit#:1 Entry:73502 Library:WILEY7.LIB
SI:83 Formula:C11 H18 O2 CAS:36334-88-0 MolWeight:182 RetIndex:0
CompName:1,3-Dioxolane, 2,2-dimethyl-4,5-di-1-propenyl- (CAS) 2,2-DIMETHYL-4,5-DIPROPENYL-1,3-DIOXOLANE $$ 1,3-Dioxolane, 2,2-dimethyl-4,5-dipropenyl- $$
100 43 97 112
83
Me O
CH CHMe
69 Me
41 O
CH CHMe
107 167
168
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170
19 / 34
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Hit#:2 Entry:73503 Library:WILEY7.LIB
SI:81 Formula:C11 H18 O2 CAS:36334-87-9 MolWeight:182 RetIndex:0
CompName:1,3-Dioxolane, 2,2-dimethyl-4,5-bis(1-methylethenyl)- (CAS) 2,2-DIMETHYL-4,5-DIISOPROPENYL-1,3-DIOXOLANE $$ 1,3-Dioxolane, 4,5-diisopropenyl-2,2-dimethyl- $$
100 43 112
97
Me O
CMe CH 2
41 Me
O
69 83
CMe
167 CH 2
107
126 168
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170
Hit#:3 Entry:10887 Library:WILEY7.LIB
SI:78 Formula:C7 H12 O CAS:0-00-0 MolWeight:112 RetIndex:0
CompName:4,4-DIMETHYL-PENT-2-ENAL $$
100 41
97
83
55
69
27 112
98
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170
<< Target >>
Line#:33 R.Time:11.792(Scan#:936) MassPeaks:59
RawMode:Averaged 11.783-11.800(935-937) BasePeak:59.10(39435)
BG Mode:Calc. from Peak Group 1 - Event 1
100 59
41
81
85 139
121
40 109 140
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170
Hit#:1 Entry:63384 Library:WILEY7.LIB
SI:83 Formula:C10 H20 O2 CAS:0-00-0 MolWeight:172 RetIndex:0
CompName:CITRONELLOLEPOXID (R oder S) $$
100 69
43
41
71
85
27 111
113 129 143 154 172
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170
Hit#:2 Entry:43700 Library:WILEY7.LIB
SI:81 Formula:C10 H18 O CAS:78-70-6 MolWeight:154 RetIndex:0
CompName:Linalool $$ 1,6-Octadien-3-ol, 3,7-dimethyl- (CAS) Linalol $$ .beta.-Linalool $$ Linalyl alcohol $$ 2,6-Dimethyl-2,7-octadien-6-ol $$ allo-Ocimenol $$ p-Linalool $$ LINOLOOL (D
100 71
41
93
69 H2 C CH CMe(OH) CH 2CH 2 CH CMe 2
39 121
107 136
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170
Hit#:3 Entry:63385 Library:WILEY7.LIB
SI:81 Formula:C10 H20 O2 CAS:0-00-0 MolWeight:172 RetIndex:0
CompName:CITRONELLOLEPOXID (R oder S) $$
100 69
43
41 71
86
27 111
113 129 154 172
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170
<< Target >>
Line#:34 R.Time:11.958(Scan#:956) MassPeaks:50
RawMode:Averaged 11.950-11.967(955-957) BasePeak:81.05(185188)
BG Mode:Calc. from Peak Group 1 - Event 1
100 81
59
43 96
41
111 139 154
40
20 30 40 50 60 70 80 90 100 110 120 130 140 150
20 / 34
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Hit#:1 Entry:63367 Library:WILEY7.LIB
SI:91 Formula:C10 H20 O2 CAS:42822-86-6 MolWeight:172 RetIndex:0
CompName:CYCLOHEXANOL, 2-(2-HYDROXY-2-PROPYL)-5-METHYL- $$ 3,8-TERPINEOLHYDRATE $$
100 81
59
96
43
41
26 111 121 139 154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:2 Entry:63396 Library:WILEY7.LIB
SI:85 Formula:C10 H20 O2 CAS:80-53-5 MolWeight:172 RetIndex:0
CompName:1,8-TERPIN, CIS- $$ Cyclohexanemethanol, 4-hydroxy-.alpha.,.alpha.,4-trimethyl- (CAS) p-Menthane-1,8-diol (CAS) Terpin $$ 1,8-Terpin $$ 1,4-Terpin $$
100 81
96
59
43
139
41 108 121
27 140 154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:62594 Library:WILEY7.LIB
SI:85 Formula:C10 H20 O2 CAS:24233-05-4 MolWeight:172 RetIndex:0
CompName:CIS-2,7-DIMETHYL-4-OCTENE-2,7-DIOL $$
100 59
81
43
96
31
27 121 139
99
20 30 40 50 60 70 80 90 100 110 120 130 140 150
<< Target >>
Line#:35 R.Time:12.050(Scan#:967) MassPeaks:63
RawMode:Averaged 12.042-12.058(966-968) BasePeak:69.10(474866)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41 69 81 95
123
109 138
40 140
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
Hit#:1 Entry:93514 Library:WILEY7.LIB
SI:96 Formula:C12 H22 O2 CAS:150-84-5 MolWeight:198 RetIndex:0
CompName:Citronellyl acetate $$ 6-Octen-1-ol, 3,7-dimethyl-, acetate (CAS) Citronellol acetate $$ Natural rhodinol, acetylated $$ 3,7-Dimethyl-6-octenyl acetate $$ .beta.-Citronellyl acetate $$ A
100 43 69
41
81
95
123
Me 2C CH CH 2 CH 2 CHMe CH 2CH 2 OAc
138
109
27
199
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
Hit#:2 Entry:93507 Library:WILEY7.LIB
SI:95 Formula:C12 H22 O2 CAS:150-84-5 MolWeight:198 RetIndex:0
CompName:Citronellyl acetate $$ 6-Octen-1-ol, 3,7-dimethyl-, acetate (CAS) Citronellol acetate $$ Natural rhodinol, acetylated $$ 3,7-Dimethyl-6-octenyl acetate $$ .beta.-Citronellyl acetate $$ A
100 43
81
41 69 95
123
Me 2C CH CH 2 CH 2 CHMe CH 2CH 2 OAc
138
109
27
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
Hit#:3 Entry:93517 Library:WILEY7.LIB
SI:95 Formula:C12 H22 O2 CAS:150-84-5 MolWeight:198 RetIndex:0
CompName:Citronellyl acetate $$ 6-Octen-1-ol, 3,7-dimethyl-, acetate (CAS) Citronellol acetate $$ Natural rhodinol, acetylated $$ 3,7-Dimethyl-6-octenyl acetate $$ .beta.-Citronellyl acetate $$ A
100 41
69
81
95
Me 2C CH CH 2 CH 2 CHMe CH 2CH 2 OAc
123
138
109
27
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
21 / 34
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<< Target >>
Line#:36 R.Time:12.292(Scan#:996) MassPeaks:60
RawMode:Averaged 12.283-12.300(995-997) BasePeak:81.05(130119)
BG Mode:Calc. from Peak Group 1 - Event 1
100 81
59
43 96
41
40 109 121 139 157
152
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:63367 Library:WILEY7.LIB
SI:94 Formula:C10 H20 O2 CAS:42822-86-6 MolWeight:172 RetIndex:0
CompName:CYCLOHEXANOL, 2-(2-HYDROXY-2-PROPYL)-5-METHYL- $$ 3,8-TERPINEOLHYDRATE $$
100 81
59
96
43
41
26 111 121 139 154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:2 Entry:63396 Library:WILEY7.LIB
SI:86 Formula:C10 H20 O2 CAS:80-53-5 MolWeight:172 RetIndex:0
CompName:1,8-TERPIN, CIS- $$ Cyclohexanemethanol, 4-hydroxy-.alpha.,.alpha.,4-trimethyl- (CAS) p-Menthane-1,8-diol (CAS) Terpin $$ 1,8-Terpin $$ 1,4-Terpin $$
100 81
96
59
43
139
41 108 121
27 140 154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:3 Entry:62594 Library:WILEY7.LIB
SI:84 Formula:C10 H20 O2 CAS:24233-05-4 MolWeight:172 RetIndex:0
CompName:CIS-2,7-DIMETHYL-4-OCTENE-2,7-DIOL $$
100 59
81
43
96
31
27 121 139
99
20 30 40 50 60 70 80 90 100 110 120 130 140 150
<< Target >>
Line#:37 R.Time:12.492(Scan#:1020) MassPeaks:71
RawMode:Averaged 12.483-12.500(1019-1021) BasePeak:69.10(473975)
BG Mode:Calc. from Peak Group 1 - Event 1
100 69
41
43
93
80 121 136
40 107 153
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:1 Entry:91009 Library:WILEY7.LIB
SI:98 Formula:C12 H20 O2 CAS:105-87-3 MolWeight:196 RetIndex:0
CompName:Geranyl acetate $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)- (CAS) Geraniol acetate $$ Bay pine (oyster) oil $$ Acetic acid geraniol ester $$ trans-3,7-Dimethyl-2,6-octadien-1-yl
100 69
41
43 Me Me
Me C CH CH 2 CH 2 C CHCH 2 OAc
93
27 80 121 136
107 154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
Hit#:2 Entry:91014 Library:WILEY7.LIB
SI:97 Formula:C12 H20 O2 CAS:105-87-3 MolWeight:196 RetIndex:0
CompName:Geranyl acetate $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)- (CAS) Geraniol acetate $$ Bay pine (oyster) oil $$ Acetic acid geraniol ester $$ trans-3,7-Dimethyl-2,6-octadien-1-yl
100 69
41 43
Me Me
Me C CH CH 2 CH 2 C CHCH 2 OAc
93
39 121 136
80
107 154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
22 / 34
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Hit#:3 Entry:91003 Library:WILEY7.LIB
SI:96 Formula:C12 H20 O2 CAS:141-12-8 MolWeight:196 RetIndex:0
CompName:Neryl acetate $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)- (CAS) Nerol acetate $$ Linalyl, neryl, geranyl acetates, mixture $$ cis-Geranyl acetate $$
100 69
41
43 Me Me
Me C CH CH 2 CH 2 C CHCH 2 OAc
93
80
27 121 136
107 154
20 30 40 50 60 70 80 90 100 110 120 130 140 150
<< Target >>
Line#:38 R.Time:12.633(Scan#:1037) MassPeaks:77
RawMode:Averaged 12.625-12.642(1036-1038) BasePeak:105.05(98955)
BG Mode:Calc. from Peak Group 1 - Event 1
100 105 119
161
93
41 81
55 69 133 204
40 147 189
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:1 Entry:101060 Library:WILEY7.LIB
SI:95 Formula:C15 H24 CAS:3856-25-5 MolWeight:204 RetIndex:0
CompName:.alpha.-Copaene $$ 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
100 105 119 161
93 Me
41 Me
55 81 i-Pr
39
69 204
133
147 189
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:2 Entry:101056 Library:WILEY7.LIB
SI:95 Formula:C15 H24 CAS:3856-25-5 MolWeight:204 RetIndex:0
CompName:.alpha.-Copaene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer (CAS) Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, st (CAS) C
100 105 119 161
Me
Me
93
41
81 i-Pr
55 204
27 69 133
147 189
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:3 Entry:101065 Library:WILEY7.LIB
SI:94 Formula:C15 H24 CAS:17699-14-8 MolWeight:204 RetIndex:0
CompName:.alpha.-Cubebene $$ 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, [3aS-(3a.alpha.,3b.beta.,4.beta.,7.alpha.,7aS*)-(-)- (CAS) (-
100 105 119 161
Me
Me
41 91
81
55 204
69 133 Pr-i
27
147
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
Line#:39 R.Time:12.817(Scan#:1059) MassPeaks:75
RawMode:Averaged 12.808-12.825(1058-1060) BasePeak:161.15(66102)
BG Mode:Calc. from Peak Group 1 - Event 1
100 161
105
91
81
41 119
55 67 133
147 204
40 175 189
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:1 Entry:100272 Library:WILEY7.LIB
SI:92 Formula:C15 H24 CAS:23986-74-5 MolWeight:204 RetIndex:0
CompName:GERMACRENE-D $$
100 161
105
91
119
81
41 133
55 67 204
39 147
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
23 / 34
5/22/2013 15:26:47
Hit#:2 Entry:100949 Library:WILEY7.LIB
SI:91 Formula:C15 H24 CAS:30021-74-0 MolWeight:204 RetIndex:0
CompName:Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1.alpha.,4a.alpha.,8a.alpha.)- (CAS) .gamma.-Muurolene $$ .GAMMA.-MUUROLEN $$
100 161
CH 2
93 105
119
41 79
Me 204
55 69 133
27 Pr-i
148 189
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:3 Entry:101085 Library:WILEY7.LIB
SI:90 Formula:C15 H24 CAS:23986-74-5 MolWeight:204 RetIndex:0
CompName:Germacrene D $$ 1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, [s-(E,E)]- (CAS) Germacra-1(10),4(15),5-triene, (-)- (CAS) (-)-Germacrene D $$
100 161
105
91
41 119
79
27
55 67 133
204
147
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
Line#:40 R.Time:12.883(Scan#:1067) MassPeaks:52
RawMode:Averaged 12.875-12.892(1066-1068) BasePeak:43.10(154763)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41 57
82
96
110
40 138 156
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
Hit#:1 Entry:76973 Library:WILEY7.LIB
SI:97 Formula:C12 H24 O CAS:112-54-9 MolWeight:184 RetIndex:0
CompName:Dodecanal (CAS) n-Dodecanal $$ 1-Dodecanal $$ Lauraldehyde $$ Aldehyde C-12 $$ n-Lauraldehyde $$ Dodecanaldehyde $$ Lauryl aldehyde $$ Lauric aldehyde $$ Dodecyl aldehy
100 57
43
82
41
OCH (CH 2 ) 10 Me
96
110
39 124 138
156
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
Hit#:2 Entry:111362 Library:WILEY7.LIB
SI:95 Formula:C14 H28 O CAS:124-25-4 MolWeight:212 RetIndex:0
CompName:Tetradecanal (CAS) Myristaldehyde $$ Myristylaldehyde $$ Tetradecylaldehyde $$ n-Tetradecanal $$ Aldehyde C-14 $$ Aldehyde C-14, myristic $$ C-14 Aldehyde, myristic $$ Myri
100 43 57
41 82
96 OCH (CH 2 ) 12 Me
27
110
124 138 166 194
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
Hit#:3 Entry:76971 Library:WILEY7.LIB
SI:95 Formula:C12 H24 O CAS:112-54-9 MolWeight:184 RetIndex:0
CompName:Dodecanal (CAS) n-Dodecanal $$ 1-Dodecanal $$ Lauraldehyde $$ Aldehyde C-12 $$ n-Lauraldehyde $$ Dodecanaldehyde $$ Lauryl aldehyde $$ Lauric aldehyde $$ Dodecyl aldehy
100 43 57
41
82 OCH (CH 2 ) 10 Me
27 96
109
138
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190
<< Target >>
Line#:41 R.Time:13.333(Scan#:1121) MassPeaks:84
RawMode:Averaged 13.325-13.342(1120-1122) BasePeak:41.10(103682)
BG Mode:Calc. from Peak Group 1 - Event 1
100 41 69 93
133
79
105
55 120
147 161
40 175 189
204
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
24 / 34
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Hit#:1 Entry:100327 Library:WILEY7.LIB
SI:95 Formula:C15 H24 CAS:0-00-0 MolWeight:204 RetIndex:0
CompName:TRANS(.BETA.)-CARYOPHYLLENE $$
100 41 69 93
133
79
105
55 120
39 161
147
189
175 204
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:2 Entry:100779 Library:WILEY7.LIB
SI:95 Formula:C15 H24 CAS:87-44-5 MolWeight:204 RetIndex:0
CompName:trans-Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- (CAS) l-Caryophyllene $$ (-)-Caryophyllene $$ Caryophyllene $$ .beta.-Caryo
100 41 93
79 133 CH 2
69 105 Me
39 120 Me
53
147 161
189 Me
175
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:3 Entry:100782 Library:WILEY7.LIB
SI:95 Formula:C15 H24 CAS:87-44-5 MolWeight:204 RetIndex:0
CompName:trans-Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- (CAS) l-Caryophyllene $$ (-)-Caryophyllene $$ Caryophyllene $$ .beta.-Caryo
100 69 93
133 CH 2
41
79 Me
105
120 Me
55 161
148
189
27 175 204
Me
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
Line#:42 R.Time:13.417(Scan#:1131) MassPeaks:75
RawMode:Averaged 13.408-13.425(1130-1132) BasePeak:93.10(250058)
BG Mode:Calc. from Peak Group 1 - Event 1
100 93 119
41
69
55 79 107
40 133 147 161 189
175 204
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:1 Entry:100220 Library:WILEY7.LIB
SI:96 Formula:C15 H24 CAS:17699-05-7 MolWeight:204 RetIndex:0
CompName:.alpha.-Bergamotene $$ Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)- (CAS) 2-Norpinene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)- $$
100 93 119
Me 2 C CH CH 2 CH 2
Me
41 69 Me
55 107
79
27 135 161 204
147 189
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:2 Entry:100982 Library:WILEY7.LIB
SI:90 Formula:C15 H24 CAS:13474-59-4 MolWeight:204 RetIndex:0
CompName:,TRANS-.ALPHA.-BERGAMOTENE $$ Bergamotene $$ trans-.alpha.-Bergamotene $$ Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-, [1S-(1.alpha.,5.alpha.,6.alph
100 41 93
119
69
77 107
55
27
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:3 Entry:100697 Library:WILEY7.LIB
SI:89 Formula:C15 H24 CAS:495-60-3 MolWeight:204 RetIndex:0
CompName:Zingiberene $$ 1,3-Cyclohexadiene, 5-(1,5-dimethyl-4-hexenyl)-2-methyl-, [S-(R*,S*)]- (CAS) l-Zingiberene $$ (-)-Zingiberene $$ .alpha.-Zingiberene $$ .ALPHA.-ZINGIBIRENE $
100 93 119
41 CHMe CH 2 CH 2 CH CMe 2
69
77 Me
27 55
105
133 161 204
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
25 / 34
5/22/2013 15:26:47
<< Target >>
Line#:43 R.Time:13.550(Scan#:1147) MassPeaks:55
RawMode:Averaged 13.542-13.558(1146-1148) BasePeak:43.05(93662)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43
72
41 69
97 101
40 125 161
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160
Hit#:1 Entry:95955 Library:WILEY7.LIB
SI:81 Formula:C12 H24 O2 CAS:112-17-4 MolWeight:200 RetIndex:0
CompName:Acetic acid, decyl ester (CAS) Decyl acetate $$ Acetate C 10 $$ Acetate C-10 $$ n-Decyl acetate $$ 1-Decanol acetate $$ Decyl ester of acetic acid $$ n-Decyl ethanoate $$
100 43
Me (CH 2 ) 9 OAc
41
56 70
27 84
111 140
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160
Hit#:2 Entry:79181 Library:WILEY7.LIB
SI:81 Formula:C11 H22 O2 CAS:143-13-5 MolWeight:186 RetIndex:0
CompName:Acetic acid, nonyl ester (CAS) n-Nonyl acetate $$ Nonyl acetate $$ Nonanol acetate $$ n-Nonanyl acetate $$ n-Nonyl ethanoate $$ Pelargonyl acetate $$ Acetic acid n-nonyl ester $$
100 43
56 Me (CH 2 ) 8 OAc
70
41
84 98
39 116 126
158
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160
Hit#:3 Entry:58241 Library:WILEY7.LIB
SI:81 Formula:C11 H20 O CAS:0-00-0 MolWeight:168 RetIndex:0
CompName:3-Undecen-2-one $$
100 43
27 41
69
97
153
110
125 154 168
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160
<< Target >>
Line#:44 R.Time:13.808(Scan#:1178) MassPeaks:60
RawMode:Averaged 13.800-13.817(1177-1179) BasePeak:93.10(73099)
BG Mode:Calc. from Peak Group 1 - Event 1
100 93
80
41 121
67 107 147
40 136 161 189 204
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:1 Entry:100735 Library:WILEY7.LIB
SI:94 Formula:C15 H24 CAS:6753-98-6 MolWeight:204 RetIndex:0
CompName:.alpha.-Humulene $$ 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)- (CAS) 4,7,10-CYCLOUNDECATRIENE, 1,1,4,8-TETRAMETHYL-, ALL-CIS $$ Humulene $$ .alpha.-C
100 93
Me
80 121 Me
41 Me
107 147
27 53 67 Me 204
136 161 189
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:2 Entry:100739 Library:WILEY7.LIB
SI:93 Formula:C15 H24 CAS:6753-98-6 MolWeight:204 RetIndex:0
CompName:.alpha.-Humulene $$ 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)- (CAS) 4,7,10-CYCLOUNDECATRIENE, 1,1,4,8-TETRAMETHYL-, ALL-CIS $$ Humulene $$ .alpha.-C
100 93
Me
80 Me
41 121
Me
53 67 107 147 Me
136 204
40 161 189
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
26 / 34
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Hit#:3 Entry:100736 Library:WILEY7.LIB
SI:93 Formula:C15 H24 CAS:6753-98-6 MolWeight:204 RetIndex:0
CompName:.alpha.-Humulene $$ 1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-, (E,E,E)- (CAS) 4,7,10-CYCLOUNDECATRIENE, 1,1,4,8-TETRAMETHYL-, ALL-CIS $$ Humulene $$ .alpha.-C
100 93
Me
80 Me
41 121 Me
27 55 67 107 147
Me 204
136 161 189
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
Line#:45 R.Time:14.383(Scan#:1247) MassPeaks:80
RawMode:Averaged 14.375-14.392(1246-1248) BasePeak:69.10(373539)
BG Mode:Calc. from Peak Group 1 - Event 1
100 69
41 93
79
109 119
55 161
133 189 204
40 147 175
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:1 Entry:100710 Library:WILEY7.LIB
SI:96 Formula:C15 H24 CAS:495-61-4 MolWeight:204 RetIndex:0
CompName:.beta.-Bisabolene $$ Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)- (CAS) l-.beta.-Bisabolene $$ 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-
100 41 69
93
CH 2
CCH 2CH 2 CH CMe 2
79
55 109 119 Me
27 161 204
135
147 189
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:2 Entry:100709 Library:WILEY7.LIB
SI:95 Formula:C15 H24 CAS:495-61-4 MolWeight:204 RetIndex:0
CompName:.beta.-Bisabolene $$ Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)- (CAS) l-.beta.-Bisabolene $$ 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-
100 69
41 93 CH 2
CCH 2CH 2 CH CMe 2
79 109 Me 204
55 119 161
27 135
147 189
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:3 Entry:100712 Library:WILEY7.LIB
SI:94 Formula:C15 H24 CAS:495-61-4 MolWeight:204 RetIndex:0
CompName:.beta.-Bisabolene $$ Cyclohexene, 1-methyl-4-(5-methyl-1-methylene-4-hexenyl)-, (S)- (CAS) l-.beta.-Bisabolene $$ 1,5-Heptadiene, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (S)-(-
100 69
41
93 CH 2
CCH 2CH 2 CH CMe 2
79 109 Me
55 119 204
135 161
147 189
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
Line#:46 R.Time:14.667(Scan#:1281) MassPeaks:83
RawMode:Averaged 14.658-14.675(1280-1282) BasePeak:161.15(120239)
BG Mode:Calc. from Peak Group 1 - Event 1
100 161
119
105
134
91 204
81
41
55 69 189
147
40 176
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:1 Entry:100891 Library:WILEY7.LIB
SI:96 Formula:C15 H24 CAS:483-76-1 MolWeight:204 RetIndex:0
CompName:.delta.-Cadinene $$ Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- (CAS) (+)-.delta.-Cadinene $$ Cadina-1(10),4-diene $$ .delta.-Cadinene, (+)- $$ DE
100 161
119 Me
105
134
91
204
41 81
Me
189
39 55 69 145 Pr-i
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
27 / 34
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Hit#:2 Entry:100888 Library:WILEY7.LIB
SI:95 Formula:C15 H24 CAS:483-76-1 MolWeight:204 RetIndex:0
CompName:.delta.-Cadinene $$ Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- (CAS) (+)-.delta.-Cadinene $$ Cadina-1(10),4-diene $$ .delta.-Cadinene, (+)- $$ DE
100 161
Me
105 119 134
41 91 204
81
55 Me
39 189
69 147 Pr-i
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:3 Entry:100893 Library:WILEY7.LIB
SI:90 Formula:C15 H24 CAS:483-76-1 MolWeight:204 RetIndex:0
CompName:.delta.-Cadinene $$ Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)- (CAS) (+)-.delta.-Cadinene $$ Cadina-1(10),4-diene $$ .delta.-Cadinene, (+)- $$ DE
100 161
Me
134
105 119 204
41 81 91 Me
55 69 189 Pr-i
26 145
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
Line#:47 R.Time:15.017(Scan#:1323) MassPeaks:73
RawMode:Averaged 15.008-15.025(1322-1324) BasePeak:59.10(54734)
BG Mode:Calc. from Peak Group 1 - Event 1
100 59 93
41 107
81 161
121
135
149 189
40 175 204
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:1 Entry:123949 Library:WILEY7.LIB
SI:94 Formula:C15 H26 O CAS:639-99-6 MolWeight:222 RetIndex:0
CompName:Elemol $$ Cyclohexanemethanol, 4-ethenyl-.alpha.,.alpha.,4-trimethyl-3-(1-methylethenyl)-, [1R-(1.alpha.,3.alpha.,4.beta.)]- (CAS) o-Menth-8-ene-4-methanol, .alpha.,.alpha.-dimethy
100 59
93 CH CH 2
Me
41 81 161
107
121 CMe CH 2
135 Me 2 COH
189
27 149 204
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:2 Entry:123953 Library:WILEY7.LIB
SI:92 Formula:C15 H26 O CAS:639-99-6 MolWeight:222 RetIndex:0
CompName:Elemol $$ 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.-dimethy
100 59
93 CH CH 2
Me
81
107 161
43 121
Me 2 COH CMe CH 2
135
39 189
27 147 204
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:3 Entry:123956 Library:WILEY7.LIB
SI:90 Formula:C15 H26 O CAS:21657-90-9 MolWeight:222 RetIndex:0
CompName:HEDYCARYOL $$
100 59
Me
93 CMe 2 OH
41 81 161
107
121
135
27 149 Me 189 204
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
Line#:48 R.Time:15.600(Scan#:1393) MassPeaks:84
RawMode:Averaged 15.592-15.608(1392-1394) BasePeak:43.10(44859)
BG Mode:Calc. from Peak Group 1 - Event 1
100
41
79
69 93
109
121
135 149 161
177 189 204
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
28 / 34
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Hit#:1 Entry:121059 Library:WILEY7.LIB
SI:94 Formula:C15 H24 O CAS:1139-30-6 MolWeight:220 RetIndex:0
CompName:(-)-Caryophyllene oxide $$ (-)-5-Oxatricyclo[8.2.0.0(4,6)]dodecane,,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]- (CAS) (-)-.beta.-Caryophyllene epoxide $$ Caryophyllene o
100 43
Me Me
41 79
69 93 Me
109
O
121
138
149 161 177 H2 C
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:2 Entry:121056 Library:WILEY7.LIB
SI:94 Formula:C15 H24 O CAS:1139-30-6 MolWeight:220 RetIndex:0
CompName:(-)-Caryophyllene oxide $$ (-)-5-Oxatricyclo[8.2.0.0(4,6)]dodecane,,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]- (CAS) (-)-.beta.-Caryophyllene epoxide $$ Caryophyllene o
100 41
Me Me
79
93 Me
69
109 O
121
135 149 161 177 H2 C
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:3 Entry:121057 Library:WILEY7.LIB
SI:93 Formula:C15 H24 O CAS:1139-30-6 MolWeight:220 RetIndex:0
CompName:(-)-Caryophyllene oxide $$ (-)-5-Oxatricyclo[8.2.0.0(4,6)]dodecane,,12-trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]- (CAS) (-)-.beta.-Caryophyllene epoxide $$ Caryophyllene o
100 41
79 Me Me
93 Me
69
109 O
121
135 149 161 177 H2 C
30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
Line#:49 R.Time:16.417(Scan#:1491) MassPeaks:70
RawMode:Averaged 16.408-16.425(1490-1492) BasePeak:43.05(32759)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43
94
41 121
109
67 71
137 149 161
204
40 179 189
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:1 Entry:124086 Library:WILEY7.LIB
SI:85 Formula:C15 H26 O CAS:552-02-3 MolWeight:222 RetIndex:0
CompName:VERIDIFLOROL $$ Viridiflorol $$ 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,4.beta.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]- $$
100 43
Me Me
Me
41
69 109
81 161
93 122
27 189 HO 204
135 147 Me
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:2 Entry:124091 Library:WILEY7.LIB
SI:84 Formula:C15 H26 O CAS:552-02-3 MolWeight:222 RetIndex:0
CompName:VERIDIFLOROL $$ Viridiflorol $$ 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,4.beta.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]- $$
100 43
Me Me
Me
41
69 109
81 161
93 121
39 189 HO 204
135 147 Me
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:3 Entry:124079 Library:WILEY7.LIB
SI:84 Formula:C15 H26 O CAS:489-41-8 MolWeight:222 RetIndex:0
CompName:GLOBULOL $$
100 43
Me Me
Me
41
69 81 109
95
122 161
27 135 189 HO 204
147 Me
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
29 / 34
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<< Target >>
Line#:50 R.Time:16.675(Scan#:1522) MassPeaks:68
RawMode:Averaged 16.667-16.683(1521-1523) BasePeak:43.10(40985)
BG Mode:Calc. from Peak Group 1 - Event 1
100 43
69 109 119
41
93
71
134 161 204
40 148 189
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:1 Entry:123364 Library:WILEY7.LIB
SI:93 Formula:C15 H26 O CAS:0-00-0 MolWeight:222 RetIndex:0
CompName:.ALPHA.-BISABOLOL $$
100 43 69 109 119
41 93
71
161
39 134 147 189 205
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:2 Entry:173272 Library:WILEY7.LIB
SI:93 Formula:C18 H32 O CAS:0-00-0 MolWeight:264 RetIndex:0
CompName:.ALPHA.-BISABOLOL $$
100 43
69
109 119
41
93
71 205
134 161
39 148 189
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:3 Entry:124086 Library:WILEY7.LIB
SI:83 Formula:C15 H26 O CAS:552-02-3 MolWeight:222 RetIndex:0
CompName:VERIDIFLOROL $$ Viridiflorol $$ 1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,4.beta.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]- $$
100 43
Me Me
Me
41
69 109
81 161
93 122
27 189 HO 204
135 147 Me
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
Line#:51 R.Time:19.425(Scan#:1852) MassPeaks:64
RawMode:Averaged 19.417-19.433(1851-1853) BasePeak:81.10(69976)
BG Mode:Calc. from Peak Group 1 - Event 1
100 81
137
41 69 95
43 111 121 154
40 153 183 223
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220
Hit#:1 Entry:43607 Library:WILEY7.LIB
SI:81 Formula:C10 H18 O CAS:106-23-0 MolWeight:154 RetIndex:0
CompName:CITRONELLA $$ 6-Octenal, 3,7-dimethyl- (CAS) Citronellal $$ Rhodinal $$ .beta.-Citronellal $$ 3,7-Dimethyl-6-octenal $$ 2,3-Dihydrocitral $$ 3,7 DIMETHYL 6 OCTENAL $$ L
100 69
41
95
55 OCH CH 2 CHMe CH 2 CH 2 CH CMe 2
121
81 111
27 136 154
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220
Hit#:2 Entry:138305 Library:WILEY7.LIB
SI:81 Formula:C10 H19 BR O 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) $$ Diethylene glyco
100 137
81
41
95 Et O CH 2 CH 2 OCH 2 CH 2 OEt
55
69
27
107 121
155
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220
30 / 34
5/22/2013 15:26:47
Hit#:3 Entry:113464 Library:WILEY7.LIB
SI:81 Formula:C12 H22 O3 CAS:58315-86-9 MolWeight:214 RetIndex:0
CompName:3-Acetoxy-p-menthan-1-ol $$ CYCLOHEXANOL, 3-(ACETYLOXYMETHYL)-2,2,4-TRIMETHYL- $$
100 43
41
69 154
110
95
81 121
136
27
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220
<< Target >>
Line#:52 R.Time:20.150(Scan#:1939) MassPeaks:84
RawMode:Averaged 20.142-20.158(1938-1940) BasePeak:206.00(33432)
BG Mode:Calc. from Peak Group 1 - Event 1
100 178 206
163
135
41 69
77 92 107
55 121 149
40
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:1 Entry:102227 Library:WILEY7.LIB
SI:74 Formula:C11 H10 O4 CAS:17575-27-8 MolWeight:206 RetIndex:0
CompName:2H-1-Benzopyran-2-one, 4,7-dimethoxy- (CAS) 4,7-Dimethoxycoumarin $$ Coumarin, 4,7-dimethoxy- $$
100 206
Me O O O
178
135 163 OMe
63 77 92 120 148
39 51 107
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:2 Entry:103508 Library:WILEY7.LIB
SI:73 Formula:C11 H10 O4 CAS:120-08-1 MolWeight:206 RetIndex:0
CompName:2H-1-Benzopyran-2-one, 6,7-dimethoxy- (CAS) 6,7-Dimethoxycoumarin $$ Dimethylaesculetin $$ Scoparon $$ Scoparone $$ Escoparone $$ 6,7-Dimethylesculetin $$ Esculetin dime
100 206
Me O O O
191
163
135 178
Me O
69 79 107
51
120
89 148
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
Hit#:3 Entry:68961 Library:WILEY7.LIB
SI:69 Formula:C12 H18 O CAS:0-00-0 MolWeight:178 RetIndex:0
CompName:BICYCLO[4.3.0]NONAN-2-ON, 8-ISOPROPYLIDEN- $$
100 163 178
107
41 135
91
79
55 67 121 145
27
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200
<< Target >>
Line#:53 R.Time:20.408(Scan#:1970) MassPeaks:67
RawMode:Averaged 20.400-20.417(1969-1971) BasePeak:69.10(70333)
BG Mode:Calc. from Peak Group 1 - Event 1
100 69
41
83
43 95
109 136
40 154 207 250
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250
Hit#:1 Entry:46142 Library:WILEY7.LIB
SI:81 Formula:C10 H20 O 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 $$ D-CITR
100 69
41 55
81
HOCH 2 CH 2 CHMe CH 2 CH 2 CH CMe 2
95
109 123
29 138
156
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250
31 / 34
5/22/2013 15:26:47
Hit#:2 Entry:126764 Library:WILEY7.LIB
SI:80 Formula:C12 H20 N2 O2 CAS:125476-45-1 MolWeight:224 RetIndex:0
CompName:PROPANOIC ACID, 3-(ACETYLOXY)-2-[(ACETYLOXY)METHYL]-, ETHYL ESTER $$ DIAZO-ACETIC ACID 2-ISOPROPYL-5-METHYL-CYCLOHEXYL ESTER $$
100 83 138
95
55
69
41
123
27 109 141
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250
Hit#:3 Entry:46141 Library:WILEY7.LIB
SI:80 Formula:C10 H20 O CAS:106-22-9 MolWeight:156 RetIndex:0
CompName:.beta.-Citronellol $$ 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 69
41 55
81
HOCH 2 CH 2 CHMe CH 2 CH 2 CH CMe 2
95
109 123
138
27 156
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250
<< Target >>
Line#:54 R.Time:21.025(Scan#:2044) MassPeaks:80
RawMode:Averaged 21.017-21.033(2043-2045) BasePeak:69.10(70450)
BG Mode:Calc. from Peak Group 1 - Event 1
100 69
83
41
95
153 173 216
109 123 138 201
40 188
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220
Hit#:1 Entry:126085 Library:WILEY7.LIB
SI:80 Formula:C14 H24 O2 CAS:114761-14-7 MolWeight:224 RetIndex:0
CompName:CROTONSAEURE, MENTHYLESTER $$
100 83
41
55 69
95
139
27 123
109 140 224
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220
Hit#:2 Entry:60599 Library:WILEY7.LIB
SI:80 Formula:C10 H18 S CAS:39067-80-6 MolWeight:170 RetIndex:0
CompName:THIOGERANIOL $$
100 69
81
41
95
55 123 153
109 137
39 154
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220
Hit#:3 Entry:259556 Library:WILEY7.LIB
SI:79 Formula:C20 H38 O3 S CAS:26510-92-9 MolWeight:358 RetIndex:0
CompName:Cyclohexanol, 5-methyl-2-(1-methylethyl)-, sulfite (2:1), [1R-[1.alpha.(1R*,2S*,5R*),2.beta.,5.alpha.]]- (CAS) SULFOXYDE, DIMENTHOXY- $$
100 83 Me
139 Pr-i
O
S(O)
55 69
O
41 Pr-i
95
27 123 140 Me
109 156
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220
<< Target >>
Line#:55 R.Time:21.108(Scan#:2054) MassPeaks:66
RawMode:Averaged 21.100-21.117(2053-2055) BasePeak:69.10(34929)
BG Mode:Calc. from Peak Group 1 - Event 1
100 69
41
71
43 109
95 139
123 153
40
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220
32 / 34
5/22/2013 15:26:47
Hit#:1 Entry:126229 Library:WILEY7.LIB
SI:84 Formula:C15 H28 O CAS:20576-59-4 MolWeight:224 RetIndex:0
CompName:2,10-Dodecadien-1-ol, 3,7,11-trimethyl-, (E)-(.+-.)- (CAS) DL-6,7-DIHYDRO-2,TRANS-FARNESOL $$ 2,10-Dodecadien-1-ol, 3,7,11-trimethyl-, (E)- $$ 2,10-Dodecadien-1-ol, 3,7,1
100 41 69
55 109
81 95
HO CH 2 CH CMe (CH 2 ) 3 CHMe CH 2 CH 2 CH CMe 2
123 224
27 135 149 163 206
191
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220
Hit#:2 Entry:126228 Library:WILEY7.LIB
SI:84 Formula:C15 H28 O CAS:20576-57-2 MolWeight:224 RetIndex:0
CompName:2,10-Dodecadien-1-ol, 3,7,11-trimethyl-, (Z)- (CAS) DL-6,7-DIHYDRO-2,CIS-FARNESOL $$
100 69
41
109
55 81 HO CH 2 CH CMe (CH 2 ) 3 CHMe CH 2 CH 2 CH CMe 2
95
121
206
27 135 149 163 191 224
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220
Hit#:3 Entry:43617 Library:WILEY7.LIB
SI:84 Formula:C10 H18 O 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 $$ L
100 69
41
55
95
OCH CH 2 CHMe CH 2 CH 2 CH CMe 2
81 121
111
136
154
27
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220
<< Target >>
Line#:56 R.Time:23.708(Scan#:2366) MassPeaks:88
RawMode:Averaged 23.700-23.717(2365-2367) BasePeak:129.10(595022)
BG Mode:Calc. from Peak Group 1 - Event 1
100 129
57
70
55
41 111 147
84
40 157 172 199 212 241 259 281
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
Hit#:1 Entry:268043 Library:WILEY7.LIB
SI:97 Formula:C22 H42 O4 CAS:103-23-1 MolWeight:370 RetIndex:0
CompName:Hexanedioic acid, bis(2-ethylhexyl) ester (CAS) Bis(2-ethylhexyl) adipate $$ Sicol 250 $$ Adipol 2EH $$ Flexol A 26 $$ Vestinol OA $$ Truflex DOA $$ Witamol 320 $$ Wickenol 1
100 129
57 Me (CH 2)3 CHEt CH 2 O C(O) (CH 2)4C(O) OCH 2CHEt (CH 2)3Me
55
41 70
111 147
84
27 199 241 259
212
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
Hit#:2 Entry:268036 Library:WILEY7.LIB
SI:96 Formula:C22 H42 O4 CAS:123-79-5 MolWeight:370 RetIndex:0
CompName:Hexanedioic acid, dioctyl ester (CAS) Dioctyl adipate $$ DOA $$ Adiimoll DO $$ Di-n-octyl adipate $$ Octyl adipate $$ Adipic acid dioctyl ester $$ Adipic acid, dioctyl ester $$ Adim
100 129
57 Me (CH 2 ) 7 O C(O) (CH 2 ) 4 C(O) O(CH 2 ) 7 Me
70 112
55
41 147
84 111 241 259
157 199 212
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
Hit#:3 Entry:268044 Library:WILEY7.LIB
SI:95 Formula:C22 H42 O4 CAS:103-23-1 MolWeight:370 RetIndex:0
CompName:Hexanedioic acid, bis(2-ethylhexyl) ester (CAS) Bis(2-ethylhexyl) adipate $$ Sicol 250 $$ Adipol 2EH $$ Flexol A 26 $$ Vestinol OA $$ Truflex DOA $$ Witamol 320 $$ Wickenol 1
100 129
Me (CH 2)3 CHEt CH 2 O C(O) (CH 2)4C(O) OCH 2CHEt (CH 2)3Me
57
71
147
41 111
84 241 259
27 157 199 212
20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360
33 / 34
5/22/2013 15:26:47
<< Target >>
Line#:57 R.Time:26.158(Scan#:2660) MassPeaks:91
RawMode:Averaged 26.150-26.167(2659-2661) BasePeak:69.10(723709)
BG Mode:Calc. from Peak Group 1 - Event 1
100 69
83
41 137
55 95
121
40 109 140 155 207
179 191 253 277
20 40 60 80 100 120 140 160 180 200 220 240 260 280
Hit#:1 Entry:126085 Library:WILEY7.LIB
SI:82 Formula:C14 H24 O2 CAS:114761-14-7 MolWeight:224 RetIndex:0
CompName:CROTONSAEURE, MENTHYLESTER $$
100 83
41
55 69
95
139
27 123
109 140 224
20 40 60 80 100 120 140 160 180 200 220 240 260 280
Hit#:2 Entry:60599 Library:WILEY7.LIB
SI:82 Formula:C10 H18 S CAS:39067-80-6 MolWeight:170 RetIndex:0
CompName:THIOGERANIOL $$
100 69
81
41
95
55 123 153
109 137
39 154
20 40 60 80 100 120 140 160 180 200 220 240 260 280
Hit#:3 Entry:259556 Library:WILEY7.LIB
SI:81 Formula:C20 H38 O3 S CAS:26510-92-9 MolWeight:358 RetIndex:0
CompName:Cyclohexanol, 5-methyl-2-(1-methylethyl)-, sulfite (2:1), [1R-[1.alpha.(1R*,2S*,5R*),2.beta.,5.alpha.]]- (CAS) SULFOXYDE, DIMENTHOXY- $$
100 83 Me
139 Pr-i
O
S(O)
55 69
O
41 Pr-i
95
27 123 140 Me
109 156
20 40 60 80 100 120 140 160 180 200 220 240 260 280
34 / 34
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