Óleo Essencial P. Guajava - QGD

15/5/2013 10:13:30
C:\GCMSsolution\Data\Project1\UFAM\Marcos\Tiago\M1.qgd
Similarity Search Result
<< Target >>
Line#:1 R.Time:6.208(Scan#:386) MassPeaks:66
RawMode:Averaged 6.200-6.217(385-387) BasePeak:93.10(1544835)
BG Mode:Calc. from Peak Group 1 - Event 1
100
93
77
41
40
121
105
67
53
136
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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 $$ .alpha.-(+)-Pinene $$ AL
100
93
Me
Me
Me
77
39
53
121
105
67
136
37
20
30
40
50
60
70
80
90
CompName:cis-Ocimene $$ 1,3,7-Octatriene, 3,7-dimethyl-, (E)- (CAS) trans-.alpha.-Ocimene $$
100
93
100
110
120
130
79
41
53
105
67
121
136
38
20
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60
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100
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CompName:.DELTA.3-Carene $$ Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl- (CAS) (+)-3-CARENE $$ .DELTA.-3-CARENE $$ 3-Carene $$ .delta.(Sup3)-Carene $$ CAR-3-ENE $$ D-3-carene $$ 3,
100
93
Me
Me
79
41 43
Me
121
105
67
136
38
20
30
40
50
60
70
80
90
100
110
120
130
CompName:(-)-ALPHA-PINEN $$ (-)-.alpha.-Pinene $$ Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)- (CAS) 2-Pinene, (1S,5S)-(-)- (CAS) l-.alpha.-Pinene $$ (1S,5S)-(-)-.alpha.-Pinene $$ (-)-2-Pin
100
93
77
41
27
43
20
30
40
50
60
70
CompName:TRICYCLO[2.2.1.0(2,6)]HEPTANE, 2,3,3-TRIMETHYL- $$
100
20
43
30
40
80
90
100
110
60
136
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120
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100
93
69
41
77
53
40
121
107
136
10
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CompName:2-.BETA.-PINENE $$ Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene- (CAS) .beta.-Pinene $$ Nopinen $$ Nopinene $$ Pseudopinen $$ Pseudopinene $$ 2(10)-Pinene $$ Terebenthene
100
93
Me
CH 2
Me
41
69
79
53
121
107
38
136
10
20
30
40
50
60
70
80
90
100
110
120
130
CompName:(-)-.beta.-Pinene $$ 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.-PINENE
100
93
Me
CH 2
Me
41
69
79
39
121
53
107
136
10
20
30
40
50
60
70
80
90
100
110
120
130
SI:93 Formula:C12 H20 O2 CAS:115-95-7 MolWeight:196 RetIndex:0
CompName:Linalyl acetate $$ 1,6-Octadien-3-ol, 3,7-dimethyl-, acetate (CAS) ETHANOIC ACID,3,7-DIMETHYL-1,6-OCTADIEN-3-OL ESTER $$ Bergamol $$ Bergamiol $$ Linalool acetate $$ B
100
93
41
CH CH 2
Me 2 C CH CH 2 CH 2 CMe OAc
69
77
27
121
53
136
105
10
20
30
40
50
60
70
80
90
100
110
120
130
CompName:Linalyl propionate $$ 1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate (CAS) Linalyl propanoate $$ 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate $$
100
93
41
CH CH 2
Me 2C CH CH 2 CH 2 CMe OC(O) Et
69
77
27
121
53
136
105
10
20
30
40
50
60
CompName:delta-3-carene $$
100
70
80
90
100
110
120
130
93
41
77
27
43
10
20
30
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69
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100
41
69
79
53
40
93
107
121
136
20
30
40
50
60
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100
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120
130
140
150
160
170
CompName:.beta.-Myrcene $$ 1,6-Octadiene, 7-methyl-3-methylene- (CAS) 2-Methyl-6-methylene-2,7-octadiene $$ 2-ETHENYL-6-METHYL-1,5-HEPTADIENE $$ Myrcene $$ 7-Methyl-3-methyl
100
41
93
69
CH 2
Me 2 C CH CH 2 CH 2 CCH CH 2
79
53
29
107
121
136
20
30
40
50
60
70
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90
100
110
120
130
140
150
160
170
SI:91 Formula:C10 H17 BR CAS:35719-26-7 MolWeight:216 RetIndex:0
CompName:1-BROMO-3,7-DIMETHYL-OCTA-2,6-DIENE $$ 2,6-Octadiene, 1-bromo-3,7-dimethyl- (CAS) 8-Bromo-2,6-dimethyl-2,6-octadiene $$
100
69
41
93
81
53
27
107
137
121
173
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
CompName:2-.BETA.-PINENE $$ Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene- (CAS) .beta.-Pinene $$ Nopinen $$ Nopinene $$ Pseudopinen $$ Pseudopinene $$ 2(10)-Pinene $$ Terebenthene
100
93
41
Me
Me
CH 2
69
27
79
53
107
121
136
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
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)-(-)- $$
100
93
Me
Me
41
CH 2
69
79
27
53
107
136
121
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
SI:89 Formula:C10 H18 O CAS:106-24-1 MolWeight:154 RetIndex:0
CompName:trans-Geraniol $$ 2,6-Octadien-1-ol, 3,7-dimethyl-, (E)- (CAS) Guaniol $$ Lemonol $$ Geraniol $$ Geranyl alcohol $$ 2,6-Dimethyl-2,6-octadien-8-ol $$ 2,6-dimethyloctane-2,6-dien-8-o
100
41
69
93
Me 2 C CH CH 2 CH 2 CMe CH CH 2 OH
27
53
77
121
105
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100
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120
136
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140
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160
170
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100
119
134
91
41
65
51
77
103
10
20
30
40
50
60
70
80
90
100
110
120
130
CompName:l-Phellandrene $$ 1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)- (CAS) p-Mentha-1,5-diene $$ .alpha.-Fellandrene $$ .alpha.-Phellandrene $$ p-Menthadiene ((-)-) $$ 5-Isopropyl-2-me
100
119
Pr-i
91
39 41
65
51
Me
77
134
103
10
20
30
40
50
60
70
80
90
100
110
120
130
CompName:Benzene, methyl(1-methylethyl)- (CAS) Cymol $$ Cymene $$ Thymene $$ Isopropyltoluene $$ (Methylisopropyl)benzene $$ PARA CYMENE $$ Methylisopropylbenzene $$
100
119
91
37
39
77
65
51
103
D1
Pr-i
D1
Me
134
10
20
30
40
50
60
70
80
90
100
110
120
130
CompName:Benzene, 1-methyl-4-(1-methylethyl)- (CAS) p-Cymene $$ 1-Methyl-4-isopropylbenzene $$ p-Cymol $$ p-Cimene $$ Camphogen $$ Dolcymene $$ 2-p-Tolylpropane $$ p-Isopropyltolu
100
119
Pr-i
77
65
51
134
Me
91
41
27
103
10
20
30
40
50
60
70
80
90
100
110
120
130
CompName:Benzene, 1-methyl-2-(1-methylethyl)- (CAS) 1-Methyl-2-isopropylbenzene $$ o-Cymene $$ o-Cymol $$ o-Isopropyltoluene $$ 2-Isopropyltoluene $$ 1-Isopropyl-2-methylbenzene $$ 1-M
100
119
Pr-i
Me
91
41
27
77
65
51
134
103
10
20
30
40
50
60
70
80
90
100
110
120
130
CompName:Benzene, 1-methyl-3-(1-methylethyl)- (CAS) m-Cymene $$ 1-Methyl-3-isopropylbenzene $$ m-Cymol $$ .beta.-Cymene $$ m-Isopropyltoluene $$ m-Methylisopropylbenzene $$ 1-Isopr
100
119
Pr-i
91
39
27
10
20
30
40
50
60
70
134
Me
77
65
51
103
80
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100
68
93
79
41
40
121
107
53
136
10
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130
CompName:dl-Limonene $$ Cyclohexene, 1-methyl-4-(1-methylethenyl)- (CAS) 1-P-MENTHA-1,8-DIENE $$ Limonene $Cinen $$ Nesol $$ Cinene $$ Limonen $$ Eulimen $$ Dipenten $$ Cajeput
100
68
CH 2
CMe
93
79
53
121
107
41
136
Me
10
20
30
40
50
60
70
80
90
100
110
120
130
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 $$
100
68
Me
93
41
27
Me
79
53
121
107
136
Me
10
20
30
40
50
60
70
80
90
100
110
120
130
CompName:Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R)- (CAS) D-1,8(9)-P-MENTHADIENE,(D-1-METHYL-4-ISOPROPENYLCYCLOHEXENE $$ d-Limonene $$ (+)-Limonene $$ D-(+)-L
100
68
CH 2
CMe
93
41
27
79
53
107
Me
136
121
10
20
30
40
50
60
70
80
90
100
110
120
130
CompName:Cyclohexene, 4-ethenyl-1,4-dimethyl- (CAS) CYCLOHEXENE, 1,4-DIMETHYL-4-VINYL- $$ 1,4-Dimethyl-4-vinylcyclohexene $$
100
68
CH CH 2
Me
93
41
27
53
Me
107
79
121
136
10
20
30
40
50
60
70
80
90
100
110
120
130
CompName:Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (.+-.)- $$ p-Mentha-1,8-diene, (.+-.)- $$ (.+-.)-Dipentene $$ (.+-.)-Limonene $$ dl-Limonene $$ Limonene $$ Cyclohexene, 1-methyl-4-(1-me
100
68
CMe CH 2
93
Me
39
53
107
79
10
20
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90
100
136
121
18
110
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100
67
41
109
93
83
43
137
119
40
20
30
40
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100
110
120
130
140
150
CompName:.alpha.-Pinene oxide $$ 3-Oxatricyclo[4.1.1.0(2,4)]octane, 2,7,7-trimethyl- (CAS) 2,3-Epoxypinane $$ Pinane, 2,3-epoxy- $$ .alpha.-Pinene epoxide $$ Pinane, 2,3-epoxy-, (-)- $$ 3-Oxatri
100
67
Me
Me
41
Me
109
83
43
39
137
93
119
20
30
40
50
60
70
80
CompName:3-Decyne (CAS) 3-C10H18 $$
100
67
90
100
110
120
130
140
150
109
41
Me (CH 2 ) 5 C CEt
95
55
27
81
123
20
30
40
50
60
70
80
CompName:CIS-LIMONENE OXIDE $$
100
43
90
100
110
120
138
130
140
150
67
41
79
93
109
137
119
38
20
30
40
50
60
70
80
CompName:3-Dodecyne (CAS) 3-C12H22 $$
100
67
90
100
110
120
130
41
55
140
150
Me (CH 2) 7C CEt
81
95
109
27
123
137
20
30
40
50
60
70
80
90
100
110
120
130
140
150
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 $$ p100
43
Me
67
41
93
79
109
137
27
20
30
40
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80
90
100
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110
120
CMe
CH 2
119
130
140
152
150
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100
57
41
55
70
96 98
40
10
20
30
40
50
60
70
80
90
100
110
120
130
CompName:Nonanal (CAS) n-Nonanal $$ n-Nonylaldehyde $$ Nonaldehyde $$ n-Nonaldehyde $$ Nonanaldehyde $$ Nonylaldehyde $$ Pelargonaldehyde $$ Nonylic aldehyde $$ Nonanoic aldehyde
100
57
41 43
OCH (CH 2 ) 7Me
70
98
95
39
114
126
10
20
30
40
50
60
70
80
90
100
110
120
130
CompName:Decanal (CAS) n-Decanal $$ Decyl aldehyde $$ Decaldehyde $$ Capraldehyde $$ Aldehyde C10 $$ Decanaldehyde $$ n-Decaldehyde $$ Caprinaldehyde $$ Capric aldehyde $$ Decylic a
100
41 43
57
27
OCH (CH 2 ) 8 Me
70
84
110
128
10
20
30
40
50
60
70
80
90
100
110
120
130
CompName:Cyclohexanol, 2-methyl- (CAS) 2-Methylcyclohexanol $$ 1-Methyl-2-cyclohexanol $$ 2-Methyl-1-cyclohexanol $$ 2-Methylcyclohexanol,c&t $$ o-Methylcyclohexanol $$ 2-Methylcycl
100
57
Me
OH
41
27
81
55
96
114
99
10
20
30
40
50
60
70
80
90
100
110
120
CompName:1-Hexene, 3,5,5-trimethyl- (CAS) 3,5,5-Trimethyl-1-hexene $$ 3,5,5-Trimethylhexene-1 $$ 3,3,5-Trimethyl-1-hexene $$
100
57
130
55
41
Me 3 C CH 2CHMe CH CH 2
70
111
84
36
126
10
20
30
40
50
60
70
80
90
100
110
120
130
CompName:Dodecanal (CAS) n-Dodecanal $$ 1-Dodecanal $$ Lauraldehyde $$ Aldehyde C-12 $$ n-Lauraldehyde $$ Dodecanaldehyde $$ Lauryl aldehyde $$ Lauric aldehyde $$ Dodecyl aldehyde $
100
43
57
41
82
OCH (CH 2 ) 10 Me
27
96
109
10
20
30
40
50
60
70
80
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90
100
112
110
138
120
130
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100
43
69
91
109
41
82
119
40
137
10
20
30
40
50
60
70
80
90
100
110
120
130
140
150
100
67
Me
109
41
Me
Me
83
43
137
95
27
O
119
10
20
30
40
50
60
70
80
CompName:TRANS-LIMONENE OXIDE $$
100
43
90
100
110
120
152
130
140
150
67
39
94
79
108
119
38
137
10
20
30
40
50
60
70
80
90
100
110
120
130
140
150
CompName:Limonene oxide $$ 7-Oxabicyclo[4.1.0]heptane, 1-methyl-4-(1-methylethenyl)- (CAS) DIPENTENE OXIDE $$ Limonene epoxide $$ Limonene 1,2-oxide $$ Limonene 1,2-epoxide $$ p100
43
Me
41
67
27
81
93
108
10
20
30
40
50
60
70
80
CompName:trans-p-Mentha-1(7),8-dien-2-ol $$
100
41
90
100
110
CMe
137
119
120
130
140
CH 2 152
150
109
55
CMe CH 2
HO
67
79
91
119
27
H134
2C
152
10
20
30
40
50
60
70
80
100
43
90
100
110
120
130
140
150
67
41
79
93
109
137
119
38
10
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30
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70
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100
41
55
70
92
69
109
119
134
40
10
20
30
40
50
60
70
80
90
100
110
120
130
140
150
CompName:trans-Pinocarveol $$ Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, [1S-(1.alpha.,3.alpha.,5.alpha.)]- (CAS) l-Pinocarveol $$ l-trans-Pinocarveol $$ trans-(-)-Pinocarveol $$ Pinoca
100
55
70
92
41
Me
CH 2
Me
69
109
27
134
119
OH
10
20
30
40
50
60
70
80
90
100
110
120
130
CompName:Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene- (CAS) 2(10)-Pinen-3-ol $$ Pinocarveol $$ 10-Pinen-3-ol (CAS)
100
41
55
70
92
140
150
Me
CH 2
Me
69
27
109
134
119
OH
10
20
30
40
50
60
70
80
90
100
110
120
130
140
150
CompName:Isopinocarveol $$ Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, (1.alpha.,3.beta.,5.alpha.)- (CAS) 2(10)-Pinen-3-ol, cis- (CAS) cis-Pinocarveol $$
100
41
55
92
70
39
69
109
134
119
10
20
30
40
50
60
70
80
90
100
110
120
130
140
CompName:trans-Verbenol $$ Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, (1.alpha.,2.alpha.,5.alpha.)- (CAS) 2-Pinen-4-ol, trans- $$
100
92
41
55
150
Me
70
OH
Me
59
109
27
134
119
Me
10
20
30
40
50
60
70
80
CompName:3(10)-CAREN-4-OL, TRANS $$
100
41
55
90
100
110
120
130
140
150
91
27
81
67
109
134
119
152
10
20
30
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70
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90
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100
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130
140
150
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100
41
109
91
67
81
119
55
134
40
20
30
40
50
60
70
80
CompName:CIS-VERBENOL $$
100
90
100
94
41
110
120
130
140
150
109
59
39
81
55
119
137
149
20
30
40
50
60
70
80
90
100
110
120
130
140
150
CompName:Verbenol $$ 4,6,6-Trimethylbicyclo-[3.1.1]-hept-3-en-2-ol $$ Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl- $$ d-Verbenol $$ Berbenol $$ 2-Pinen-4-ol $$ (+)-Verbenol $$
100
91
41
59
109
119
79
55
27
134
20
30
40
50
60
70
80
90
100
110
120
130
140
CompName:trans-Verbenol $$ Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, (1.alpha.,2.alpha.,5.alpha.)- (CAS) 2-Pinen-4-ol, trans- $$
100
109
91
150
Me
OH
Me
119
41
39
81
43
69
134
20
30
40
50
60
70
80
CompName:cis-p-Mentha-1(7),8-dien-2-ol $$
100
41
90
100
110
69
27
130
140
150
109
134
91
55
120
Me
CMe CH 2
HO
119
79
H2 C
20
30
40
50
60
70
80
90
100
110
120
130
140
150
CompName:1.BETA.,4,4-TRIMETHYL-BICYLO(3.2.0)HEPT-6-EN-2.ALPHA.-OL $$ Bicyclo[3.2.0]hept-6-en-2-ol, 1,4,4-trimethyl-, (1.alpha.,2.alpha.,5.alpha.)- (CAS) Bicyclo[3.2.0]hept-6-en-2-ol,
100
109
41 43
67
119
91
79
137
152
20
30
40
50
60
70
80
90
100
10 / 71
110
120
130
140
150
15/5/2013 10:13:30
<< Target >>

100
71
111
93
41
43
69
154
136
40
20
30
40
50
60
70
80
90
100
110
120
130
140
150
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 $$
100
71
OH
Pr-i
111
93
41
43
Me
69
27
154
136
112
20
30
40
50
60
70
80
90
100
110
120
130
140
150
CompName:l-4-Terpineol $$ 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, (R)- (CAS) (-)-4-Terpineol $$ l-Terpinen-4-ol $$ l-4-Terpineneol $$ (-)-Terpinen-4-ol $$ p-Menth-1-en-4-ol, (R)-(-)- $$
100
71
OH
Pr-i
111
43
93
41
154
Me
69
136
112
29
20
30
40
50
60
70
80
90
100
110
120
130
140
150
CompName:trans-Sabinene hydrate $$ TRANS-THUJAN-4-OL $$ Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1.alpha.,2.alpha.,5.alpha.)- $$ SABINENHYDRAT, TRANS- $$ 4-Thujano
100
43
71
93
41
111
69
121
39
139
140
154
20
30
40
50
60
70
80
90
100
110
120
130
140
150
CompName:Isocineole $$ 7-Oxabicyclo[2.2.1]heptane, 1-methyl-4-(1-methylethyl)- (CAS) 7-OXABICYCLO[2.2.1]HEPTANE, 1-ISOPROPYL-4-METHYL- $$ 1,4-Cineole $$ 1,4-Cineol $$ p-Menth
100
43
Pr-i
71
111
41
69
27
125
93
139
Me
154
20
30
40
50
60
70
80
90
100
110
120
130
140
150
CompName:Linalool $$ 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
H 2 C CH CMe(OH) CH 2 CH 2 CH CMe 2
69
121
27
20
136
107
30
40
50
60
70
80
90
100
11 / 71
110
120
130
154
140
150
15/5/2013 10:13:30
<< Target >>

100
59
93
121
81
43
136
41
40
107
20
30
40
50
60
70
80
90
100
110
120
130
CompName:3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl- (CAS) CYCLOHEXENE, 1-METHYL-4-(2-PROPANOL-2-YL)- $$ 4-(1-HYDROXY-1-METHYLETHYL)-1-METHYLCYCLOH
100
59
CMe 2 OH
93
121
81
43
136
Me
41
107
27
20
30
40
50
60
70
80
90
100
110
120
130
CompName:3-Cyclohexene-1-methanol, .alpha.,.alpha.,4-trimethyl-, (S)- (CAS) p-Menth-1-en-8-ol, (S)-(-)- $$ ALPHA-TERPINEOL $$ (-)-.alpha.-Terpineol $$ (+)-ALPHA-TERPINEOL (P-MENTH
100
59
CMe 2 OH
93
43
121
81
136
Me
41
27
107
20
30
40
50
60
70
80
90
100
110
120
130
CompName:Linalyl propionate $$ 1,6-Octadien-3-ol, 3,7-dimethyl-, propanoate (CAS) Linalyl propanoate $$ 1,6-Octadien-3-ol, 3,7-dimethyl-, propionate $$
100
59
93
CH CH 2
43
Me 2C
121CH CH 2 CH 2 CMe OC(O) Et
136
81
41
27
107
20
30
40
50
60
70
CompName:(+)-.ALPHA.-TERPINEOL $$ (+-)-.alpha.-Terpineol $$
100
59
80
90
100
110
120
130
OH
CMe
93
43
81
Me
121
136
41
27
Me
107
20
30
40
50
60
70
CompName:.BETA. FENCHYL ALCOHOL $$
100
59
80
90
100
110
120
130
93
121
81
43
136
41
107
38
20
30
40
50
60
70
80
90
12 / 71
100
110
120
130
15/5/2013 10:13:30
<< Target >>

100
43
91
41
69
109
77
119
40
134
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
CompName:Verbenol $$ 4,6,6-Trimethylbicyclo-[3.1.1]-hept-3-en-2-ol $$ Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl- $$ d-Verbenol $$ Berbenol $$ 2-Pinen-4-ol $$ (+)-Verbenol $$
100
91
41
59
119
109
79
55
27
134
20
30
40
50
60
70
80
90
100
CompName:cis-p-Mentha-1(7),8-dien-2-ol $$
100
41
110
69
27
130
140
150
160
170
180
190
109
134
91
55
120
CMe CH 2
HO
119
79
H2 C
20
30
40
50
60
70
80
90
100
CompName:THUJOL $$
100
43
110
120
130
140
150
160
170
180
190
150
160
170
180
190
150
160
170
180
190
109
91
67
41
27
77
137
119
20
30
40
50
60
70
80
90
100
100
43
110
120
130
140
67
41
79
93
109
137
119
38
20
30
40
50
60
70
80
90
100
CompName:(Z)-TRANS-.ALPHA.-BERGAMOTENE $$
100
41
110
93
69
55
120
130
140
119
79
105
161
20
30
40
50
60
70
80
90
100
110
120
13 / 71
130
140
150
160
189
170
180
190
15/5/2013 10:13:30
<< Target >>

100
121
93
136
161
77
41
55
105
65
40
148
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.delta.-Elemene $$ Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)- (CAS) p-Menth-3-ene, 2-isopropenyl-1-vinyl-, (1S,2R)-(-)- $$ DELTA-ELEMEN
100
121
93
136
41
43
CH CH 2
Me
161
77
27
CMe CH 2
i-Pr
105
67
189
148
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
CompName:Isoterpinolene $$ Cyclohexene, 3-methyl-6-(1-methylethylidene)- (CAS) 2,4(8-P-MENTHADIENE) $$ p-Mentha-2,4(8)-diene $$
100
121
93
204
200
CMe 2
136
79
41
Me
107
65
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.alpha.-Terpinene $$ 1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl)- (CAS) 1,3-P-MENTHADIENE $$ 1-Methyl-4-isopropyl-1,3-cyclohexadiene $$ Terpilene $$ .alpha.-Terpinen $$ p-M
100
121
93
Pr-i
136
77
Me
105
41
65
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.ALPHA.-TERPINOLENE $$ Cyclohexene, 1-methyl-4-(1-methylethylidene)- (CAS) 1,4(8)-P-MENTHADIENE $$ 1-METHYLENE-4-ISOPROPYLENECYCLOHEXANE $$ Terpinole
100
93
121
136
CMe 2
79
41
Me
105
67
20
30
40
50
60
70
80
90
100
CompName:(+)-2-CARENE $$
100
93
110
120
130
140
150
160
170
180
190
200
150
160
170
180
190
200
121
136
79
41
105
67
38
20
30
40
50
60
70
80
90
100
110
120
130
14 / 71
140
15/5/2013 10:13:30
<< Target >>

100
105
119
161
71
41
91
56
204
133
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.alpha.-Cubebene $$ 1H-Cyclopenta[1,3]cyclopropa[1,2]benzene, 3a,3b,4,5,6,7-hexahydro-3,7-dimethyl-4-(1-methylethyl)-, [3aS-(3a.alpha.,3b.beta.,4.beta.,7.alpha.,7aS*)-(-)- (CAS) (-)-.al
100
105
119
161
Me
Me
41
81
55
91
204
69
27
Pr-i
133
147
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.alpha.-Copaene $$ 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) Copae
100
105
119
161
Me
Me
93
41
81
55
i-Pr
69
27
136
147
204
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:Naphthalene, 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)- (CAS) 4,10-DIMETHYL-7-ISOPROPYL-BICYCLO(4.4.0)-1,4-DECADIENE $$ 1,2,3,4,4A,7-HEXAHYDRO-4-ISO
100
105
119
Me
41
161
91
55
27
69
Me
77
133
Pr-i204
147
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:Germacrene D $$ 1,6-Cyclodecadiene, 1-methyl-5-methylene-8-(1-methylethyl)-, [s-(E,E)]- (CAS) Germacra-1(10),4(15),5-triene, (-)- (CAS) (-)-Germacrene D $$
100
161
105
91
41
81
119
55
67
133
204
29
147
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.alpha.-Ylangene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer (CAS) Ilagen $$ Ylangene $$ (+)-Ylangene $$ Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopro
100
119
105
161
Me
Me
93
41
81
55
20
30
i-Pr
133
69
29
189
147
40
50
60
70
80
90
100
110
120
130
15 / 71
140
150
160
170
180
190
204
200
15/5/2013 10:13:30
<< Target >>

100
105
119
93
161
41
55
69
77
204
133
147
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
119
93
Me
161
Me
41
55
i-Pr
81
27
69
204
136
147
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
119
161
Me
93
41
81
55
39
Me
i-Pr
69
204
133
147
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
119
161
Me
Me
41
81
55
91
204
69
27
Pr-i
133
147
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.alpha.-Amorphene $$ .ALPHA. AMORPHENE $$ Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.beta.)]- (CAS) 6.alpha.-Cadina-4,9-die
100
161
Me
105
119
91
79
41
133
55
39
204
Me
67
148
189
Pr-i
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.alpha.-Muurolene $$ Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1.alpha.,4a.alpha.,8a.alpha.)- (CAS) .ALPHA.-MUUROLEN $$ 1.xi.,6.xi.,7.xi.-Cadina-4,9-d
100
105
Me
93
41
79
39
20
30
40
50
161
119
69
55
60
70
133
80
90
100
110
120
130
16 / 71
Me
147
140
150
189
160
170
180
190
Pr-i204
200
15/5/2013 10:13:30
<< Target >>

100
105
119
161
93
41
81
55
69
133
147
40
204
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
119
161
105
Me
Me
93
41
81
55
i-Pr
69
27
133
204
189
147
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
119
161
Me
Me
41
81
55
91
204
69
27
Pr-i
133
147
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
119
105
161
Me
Me
93
41
81
55
i-Pr
133
69
29
20
30
40
50
60
70
80
90
100
110
CompName:GERMACRENE-D $$
100
120
130
140
150
204
189
147
160
170
180
190
200
161
105
91
119
81
41
133
55
39
67
204
147
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
Me
105
119
91
79
41
133
55
39
20
30
40
50
60
148
70
80
90
100
110
120
130
17 / 71
204
Me
67
140
150
189
160
170
180
190
Pr-i
200
15/5/2013 10:13:30
<< Target >>

100
161
105
44
65
204
120
79
133
91
40
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
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 $$ .GAMMA.-MUUROLEN $$ GAMMA-M
100
161
CH 2
119
91
105
79
Me
133
204
Pr-i
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
161
119
Me
Me
81
55
53
91
204
69
Pr-i
133
20
30
40
50
60
70
80
90
100
110
CompName:EPI-BICYCLOSESQUIPHELLANDRENE $$
100
120
130
140
150
160
170
180
190
200
161
105
41
81
55
119
91
204
133
67
27
147
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.beta.-Cubebene $$ 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.-Cuveben
100
161
Me
105
91
CH 2
119
79
133
204
Pr-i
147
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
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 $$ .delta.-Cadinene, (+)- $$ DELT
100
161
Me
105
41
81
29
20
30
55
40
50
119
204
134
91
Me
69
60
70
189
147
80
90
100
110
120
130
18 / 71
140
150
160
170
180
190
Pr-i
200
15/5/2013 10:13:30
<< Target >>

100
81
93
68
107
121
41
147
53
133
40
189
162
175
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:(-)-.beta.-Elemene $$ Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1.alpha.,2.beta.,4.beta.)]- (CAS) CIS-1,3-DIISOPROPENYL-TRANS-4-VINYL-4-METHYLCYCL
100
81
93
68
41
CH CH 2
Me
107
55
121
147
133
27
161
H 2 C CMe
CMe CH 2
189
175
20
30
40
50
60
70
80
90
100
110
CompName:Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)- (CAS)
100
68
81
41
120
130
140
150
160
170
180
190
200
93
53
107
27
121
147
133
161
189
175
20
30
40
50
60
70
80
90
100
110
120
CompName:2,4-DIISOPROPENYL-1-METHYL-1-VINYL-CYCLOHEXANE $$
100
68
81
41
130
140
150
160
170
180
190
200
93
53
107
27
121
147
133
161
189
175
20
30
40
50
60
70
80
90
100
110
CompName:Elemene (CAS)
100
81
120
130
140
150
160
170
180
190
200
93
41
68
55
107
121
147
133
161
184
175
198
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:germacrene A (CAS) 1,5-Cyclodecadiene, 1,5-dimethyl-8-(1-methylethenyl)-, [S-(E,E)]- $$ Germacra-3,9,11-triene, (E,E)- $$ (-)-Germacrene A $$
100
68
41
93
Me
81
107
53
27
CMe CH 2
119
147
133
161
189
Me
204
175
20
30
40
50
60
70
80
90
100
110
120
130
19 / 71
140
150
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
69
93
41
79
133
105
120
55
147
161
40
189
175
20
30
40
50
60
70
80
90
100
CompName:TRANS(.BETA.)-CARYOPHYLLENE $$
100
41
69
93
110
120
130
140
150
160
170
180
190
204
200
133
79
105
55
120
39
147
161
189
204
175
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:trans-Caryophyllene $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene-, [1R-(1R*,4E,9S*)]- (CAS) l-Caryophyllene $$ (-)-Caryophyllene $$ Caryophyllene $$ .beta.-Caryophy
100
93
41
69
CH 2
Me
133
79
105
120
55
147
Me
161
189
27
175
20
30
40
50
60
70
80
90
100
110
CompName:trans-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undeca-4-ene $$
100
69
93
120
130
140
150
160
170
180
190
204
Me
200
CH 2
133
Me
79
105
55
Me
120
41
148
161
29
189
175
20
30
40
50
60
70
80
90
100
110
CompName:ISOCARYOPHYLLEN $$ .GAMMA.-CARYOPHYLLENE $$
100
41
93
120
130
140
150
160
170
180
190
200
CH 2
69
79
Me
133
105
55
27
Me204
Me
161
119
147
189
175
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
CompName:BICYCLO[5.2.0]NONAN, 2-METHYLEN-4,8,8-TRIMETHYL-4-VINYL- (CARYOPHYLLEN "V1") $$
100
93
170
180
190
Me204
200
133
69
41
105
79
119
161
55
148
27
20
189
175
30
40
50
60
70
80
90
100
110
120
130
20 / 71
140
150
160
170
204
180
190
200
15/5/2013 10:13:30
<< Target >>

100
161
105
41
55
81
67
91
119
133
147
40
204
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
Me
CH 2
105
91
41
120
81
55
69
27
133
20
30
40
50
60
70
80
90
100
110
120
130
CompName:BICYCLO[4.4.0]DEC-1-EN, 2-ISOPROPYL-5-METHYL-9-METHYLENE- $$
100
140
150
204
Pr-i
147
160
170
180
190
200
161
105
41
81
55
91
204
119
133
67
27
147
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
Me
105
41
81
29
55
119
204
134
91
Me
69
189
147
20
30
40
50
60
70
80
90
100
110
100
120
130
140
150
160
170
180
190
Pr-i
200
161
105
91
119
81
41
133
55
39
67
204
147
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.gamma.-Cadinene $$ Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1.alpha.,4a.beta.,8a.alpha.)- (CAS)
100
161
CH 2
105
91
41
81
55
20
30
40
50
119
60
Me
133
67
27
70
80
90
100
110
120
130
21 / 71
140
150
204
Pr-i
148
189
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
41
67
91
107
133
119
81
161
147
55
204
189
40
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:Alloaromadendrene $$ 1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1a.alpha.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]- (CAS) Alloaromadendren $$ allo-Aromaden
100
41
161
91
69
Me
105
79
55
119
Me
Me
133
204
147
39
189
H 2C
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:(+)-Aromadendrene $$ 1H-Cycloprop[e]azulene, decahydro-1,1,7-trimethyl-4-methylene-, [1aR-(1a.alpha.,4a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]- (CAS) Aromadendrene, (+)- $$ 1H-Cyclop
100
41
91
161
105
Me
119
133
69
55
Me
Me
79
204
189
147
39
175
H 2C
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:Eremophilene $$ Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1S-(1.alpha.,7.alpha.,8a.alpha.)]- (CAS) Eremophila-1(10),11-diene $$
100
79
93
107
161
41
119
Me
133
55
H2 C CMe 189
147
67
Me204
27
175
20
30
40
50
60
70
80
90
100
CompName:"KW3 AUS EPIGLOBULOL" $$
100
79
93
110
120
130
140
150
160
170
180
190
200
107
41
161
67
55
119
133
147
189
27
204
175
20
30
40
50
60
70
80
90
100
CompName:NEOALLOOCIMENE $$
100
41
120
130
140
150
160
170
180
190
200
161
105
91
69
110
81
133
119
204
147
55
189
39
175
20
30
40
50
60
70
80
90
100
110
120
130
22 / 71
140
150
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
105
119
161
91
41
55
69
40
133
77
147
20
30
40
50
60
70
80
90
100
110
CompName:ARISTOLEN $$
100
105
120
130
140
150
160
170
204
189
175
180
190
200
Me
Me
Me
Me
161
91
41
43
119
69
27
147
133
204
189
79
175
20
30
40
50
60
70
80
90
100
110
CompName:(-)-ISOLEDENE $$ ISOLEDEN $$ Isoledene $$
100
105
120
130
140
150
160
170
180
190
200
161
119
41
91
55
133
81
69
27
204
147
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.alpha.-Muurolene-(-) $$ Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.alpha.,8a.alpha.)]- (CAS) .ALPHA.-MUUROLEN $$ 1.xi.,6.xi.,7.xi.-Cadi
100
105
Me
161
27
94
81
41
43
204
Me
119
133
69
189
147
Pr-i
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:(-)-Aristolene $$ 1H-Cyclopropa[a]naphthalene, 1a,2,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, [1aR-(1a.alpha.,7.alpha.,7a.alpha.,7b.alpha.)]- (CAS) 9-Aristolene $$ Aristolene (CAS)
100
105
91
69
39
189
204
175
91
120
130
140
150
160
170
180
190
200
161
119
41
204
133
77
55
161
79
20
30
40
50
60
70
80
90
100
110
CompName:(-)-ISOLEDENE $$
100
105
39
147
133
119
41
189
147
67
175
20
30
40
50
60
70
80
90
100
110
120
130
23 / 71
140
150
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
91
105
161
119
41
81
67
133
55
204
189
147
175
40
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
91
105
161
41
79
Me
Me
Me
133
119
147
69
55
204
27
189
175
H 2C
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:Valencene $$ Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1.alpha.,7.beta.,8a.alpha.)]- (CAS) Valencen $$ (+)-Valencene $$ 4.beta.H,5.alpha.-Eremop
100
91
161
105
79
Me
119
41
133
39
Me
H2 C CMe
67
55
147
204
189
175
20
30
40
50
60
70
80
90
100
110
CompName:(-)-Sinularene $$
100
91
105
120
130
140
150
160
170
180
190
200
161
119
41
79
189
133
55
147
67
204
175
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.alpha.-Gurjunene $$ 1H-Cycloprop[e]azulene, 1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,4.alpha.,4a.beta.,7b.alpha.)]- (CAS) (-)-.alpha.-Gurjunene $$ 1H-Cyclopro
100
161
204
105
41
189 Me
Me
119
91
55
Me
133
81
147
67
27
175
20
30
40
50
60
70
80
90
100
CompName:Aromadendrene $$
100
41
110
120
130
140
150
160
170
Me
180
190
200
Me
69
79
105
161
55
29
133
119
204
147
189
175
20
30
40
50
60
70
80
90
Me
Me
91
100
110
120
130
24 / 71
140
150
160
170
H 2C
180
190
200
15/5/2013 10:13:30
<< Target >>

100
93
80
41
40
121
147
107
67
55
161
136
204
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
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 $$ .alpha.-Cary
100
93
Me
80
Me
Me
121
41
39
147
107
67
53
Me
161
136
204
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.beta.-Selinene $$ Naphthalene, decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-, [4aR-(4a.alpha.,7.alpha.,8a.beta.)]- (CAS) Eudesma-4(14),11-diene $$ .beta.-Eudesmene $$ (+)-.be
100
93
CH 2
H 2 C CMe
41
80
121
53
27
67
107
136
Me
147
204
161
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.alpha.-Bisabolene $$ Cyclohexene, 4-(1,5-dimethyl-1,4-hexadienyl)-1-methyl- (CAS) 2,5-Heptadiene, 2-methyl-6-(4-methyl-3-cyclohexen-1-yl)- $$ .alpha.1-Bisabolene $$
100
93
CMe CHCH2CH CMe 2
41
133
79
67
27
Me
119
105
53
147
161
189
175
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.ALPHA.-PINENE, (-)- $$ 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 $$ AL
100
93
Me
Me
Me
28
121
79
41
107
67
55
136
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.DELTA.3-Carene $$ Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl- (CAS) (+)-3-CARENE $$ .DELTA.-3-CARENE $$ 3-Carene $$ .delta.(Sup3)-Carene $$ CAR-3-ENE $$ D-3-carene $$ 3,
100
93
Me
77
39 43
20
30
40
50
60
Me
121
136
105
67
70
80
90
100
110
120
Me
130
25 / 71
140
150
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
41
91
105
69
161
119
79
133
55
147
204
40
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
91
105
161
41
79
Me
Me
Me
133
119
147
69
55
204
27
189
175
H 2C
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
41
91
161
105
Me
119
133
69
55
204
189
147
39
175
20
30
40
50
60
70
80
90
100
100
41
110
120
130
140
150
160
170
H 2C
180
190
200
161
105
91
69
Me
Me
79
81
133
119
204
147
55
189
39
175
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
79
93
107
161
41
119
Me
Me
133
55
H2 C CMe 189
147
67
204
27
175
20
30
40
50
60
70
80
90
100
CompName:Patchoulene (CAS) PATCHOULENE (FRACTION) $$
100
110
120
130
140
150
160
170
180
190
161
41
204
121
81
91
107
189
67
55
200
133
147
27
175
20
30
40
50
60
70
80
90
100
110
120
130
26 / 71
140
150
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
43
127
107
71
41
95
159
122
67
145
20
30
40
50
60
70
80
90
100 110 120 130 140 150 160 170 180 190 200 210
CompName:CIS-A/B-SCLAREOLOXIDE $$ 1H-Naphtho[2,1-b]pyran, 4a,5,6,6a,7,8,9,10,10a,10b-decahydro-3,4a,7,7,10a-pentamethyl-, [4ar-(4a.alpha.,6a.beta.,10a.beta.,10b.beta.)]- (CAS)
100
43
95
136
Me
81
107
Me
121
O
Me
41
67
Me
148
Me
175
159
20
30
40
50
60
70
80
90
100 110 120 130 140 150 160 170 180 190 200 210
CompName:1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1ar-(1a.alpha.,4.alpha.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]- (CAS) Ledol $$ d-Ledol $$ (+)-Ledol $$ 1H-Cycloprop[e]azulen
100
43
Me
41
Me
Me
69
81
109
122
95
39
147
133
161
HO
204
Me
189
20
30
40
50
60
70
80
90
100 110 120 130 140 150 160 170 180 190 200 210
CompName:Ascaridole $$ 2,3-Dioxabicyclo[2.2.2]oct-5-ene, 1-methyl-4-(1-methylethyl)- (CAS) Askaridol $$ Ascaridol $$ Ascaricum $$ Ascarisin $$ Ascaridiol $$ 1,4-Peroxy-p-menth-2-ene $$ 1,4100
43
Pr-i
O
121
41
136
97
69
O
107
Me
40
20
30
40
50
60
70
80
90
100
CompName:1,2,2,3-TETRAMETHYL-CYCLOPENT-3-ENOL $$
100
43
110
107
82
41
120
130
140
150
160
170
180
190
200
210
150
160
170
180
190
200
210
122
97
67
27
140
126
20
30
40
50
60
70
80
90
100 110
CompName:LEDENOXIDE-(I) $$
100
41
43
120
130
140
107
81
122
69
27
93
135
163
177
149
20
30
40
50
60
70
80
90
100
110
120
130
27 / 71
140
150
160
170
180
205
187
190
200
210
15/5/2013 10:13:30
<< Target >>

100
161
105
41
119
93
79
133
67
55
204
148
40
189
175
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
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
41
105
119
79
55
204
Me
133
69
27
148
Pr-i
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
Me
105
119
91
79
41
133
55
39
204
Me
67
148
Pr-i
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
CH 2
105
91
41
81
55
119
Me
133
67
27
20
30
40
50
60
70
80
90
100
110
100
120
130
140
150
204
Pr-i
148
189
160
170
180
190
200
161
105
91
119
81
41
133
55
39
67
204
147
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
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-DIMETHYLB
100
161
HO Me
105
119
93
41
30
40
50
60
70
80
Me
133
69
27
20
204
81
90
100
110
120
130
28 / 71
147
140
150
189
175
160
170
180
190
Pr-i
200
15/5/2013 10:13:30
<< Target >>

100
105
94
41
40
69
161
119
79
204
147
135
189
177
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
Me
94
161
41
43
27
119
81
204
Me
133
69
147
Pr-i
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
Me
161
81
41
43
27
94
204
Me
119
133
69
Pr-i
189
147
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
Me
161
204
93
81
41
55
27
Me
119
133
69
189
147
Pr-i
175
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:NAPHTHALENE, 1,2,4A,5,6,8A-HEXAHYDRO-4,7-DIMETHYL-1-(1-METHYLETHYL)-, [1S-(1.ALP $$ Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(
100
105
161
27
204
93
81
41
43
119
134
69
20
30
40
50
60
70
80
90
100
110
CompName:ARISTOLEN $$ aristolene $$
100
105
120
130
189
149
140
150
175
160
170
180
190
200
Me
Me
Me
Me
91
41
43
29
20
30
40
50
60
147
133
119
77
67
161
189
204
175
70
80
90
100
110
120
130
29 / 71
140
150
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
91
105
81
41
161
119
67
55
133
147
40
20
30
40
50
60
70
80
90
100
110
100
120
130
140
150
204
160
170
180
190
200
161
105
91
119
81
41
133
55
39
67
204
147
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
Me
CH 2
105
91
41
120
81
55
69
27
133
204
Pr-i
147
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
CH 2
105
91
41
81
55
119
Me
133
67
27
204
Pr-i
148
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
CH 2
93
41
105
119
79
55
204
Me
133
69
27
148
189
Pr-i
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
119
161
Me
Me
41
81
55
30
40
50
204
69
27
20
91
60
70
Pr-i
133
80
90
100
110
120
130
30 / 71
147
140
150
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
79
93
105
67
121
41
147
55
133
161
189
175
204
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
41
93
105
81
CH 2
55
H 2 C CMe
121
67
161
133
204
189
147
27
Me
175
20
30
40
50
60
70
80
90
100
100
79
93
110
120
130
140
150
160
170
180
190
200
107
41
161
67
55
119
133
147
189
27
204
175
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.alpha.-Guaiene $$ Azulene, 1,2,3,4,5,6,7,8-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1.alpha.,4.alpha.,7.alpha.)]- (CAS) .ALPHA.-GUAIEN $$ Guaia-1(5),11-diene $$ ALPHA-G
100
105
H2 C
147
93
41
Me
Me C
79
133
55
204
121
67
189
161
27
Me
175
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
79
93
107
161
41
119
Me
Me
133
55
204
H2 C CMe 189
147
67
27
175
20
30
40
50
60
70
80
90
100
CompName:.alpha.-selinene $$
100
93
81
41
110
120
130
140
150
160
170
180
107
190
189
Me
55
H 2 C CMe
133
67
204
161
119
147
175
Me
27
20
200
30
40
50
60
70
80
90
100
110
120
130
31 / 71
140
150
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
161
105
119
91
79
41
55
69
134
147
204
40
20
30
40
50
60
70
80
90
100
110
100
120
130
140
150
160
170
180
190
200
161
105
91
119
81
41
133
55
39
67
204
147
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
CH 2
93
41
105
119
79
55
204
Me
133
69
27
148
189
Pr-i
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
Me
105
119
91
79
41
133
55
39
204
Me
67
148
189
Pr-i
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
CH 2
105
91
41
81
55
119
Me
133
67
27
204
Pr-i
148
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
119
161
105
Me
Me
93
41
81
55
20
30
40
50
i-Pr
69
27
60
70
133
80
90
100
110
120
130
32 / 71
140
150
204
189
147
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
93
81
121
189
109
133
69
41
204
161
53
147
20
30
40
50
60
70
80
90
100
CompName:.alpha.-selinene $$
100
110
120
130
140
150
175
160
170
180
190
200
189
Me
204
93
41
H 2 C CMe
107
81
133
55
67
121
147
161
175
Me
27
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.beta.-Chamigrene $$ Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene-, (-)- (CAS) Spiro[5.5]undec-2-ene, 3,7,7-trimethyl-11-methylene-, (R)- (CAS) Chamigren $$ Chamigrene $$ B
100
93
189
41
Me
105
Me
79
121
133
55
69
Me
27
147
204
175
161
CH 2
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:CIS-CARYOPHYLLENE $$ Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8-methylene- (CAS) cis-4,11,11-Trimethyl-8-methylenebicyclo(7.2.0)undeca-4-ene $$ Bicyclo[7.2.0]undec-4-e
100
41
93
69
CH 2
133
Me
79
105
55
Me
161
119
27
189
147
175
20
30
40
50
60
70
80
90
100
110
CompName:ISOCARYOPHYLLEN $$ .GAMMA.-CARYOPHYLLENE $$
100
41
93
120
130
140
150
160
170
180
190
200
CH 2
69
79
Me
133
105
55
27
Me204
Me
161
119
147
189
175
Me204
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
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.-Caryophy
100
69
93
41
CH 2
133
Me
79
105
55
Me
120
147
161
27
189
175
20
30
40
50
60
70
80
90
100
110
120
130
33 / 71
140
150
160
170
180
190
Me204
200
15/5/2013 10:13:30
<< Target >>

100
105
161
93
119
81
41
133
69
40
204
147
189
175
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
Me
161
81
41
43
27
94
204
Me
119
133
69
189
147
Pr-i
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
Me
161
94
41
81
43
27
204
Me
119
133
69
147
189
Pr-i
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
161
27
204
93
81
41
43
119
134
69
189
149
175
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
Me
94
161
41
43
27
119
81
204
Me
133
69
147
189
Pr-i
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-,(1R-(1.alpha.,4a.alpha.,8a.alpha.)]- $$ Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-,[1R-(1
100
105
161
81
93
41
20
204
119
69
26
30
40
50
60
70
134
80
90
100
110
120
130
34 / 71
149
140
150
189
175
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
161
105
79
41
119
91
133
67
55
204
148
40
189
176
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
CH 2
105
91
41
81
55
119
Me
133
67
27
204
Pr-i
148
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
CH 2
93
41
105
119
79
55
204
Me
133
69
27
148
20
30
40
50
60
70
80
90
100
110
100
120
130
140
150
189
160
170
180
190
Pr-i
200
161
105
91
119
81
41
133
55
39
67
204
147
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
Me
CH 2
105
91
41
120
81
55
69
27
133
20
30
40
50
60
70
80
90
100
110
120
130
140
150
CompName:(+)-CALARENE OR (+)-.BETA.-GURJUNENE $$ (+)-BETA-GURJUNEN (CALAREN) $$
100
105
91
41
55
69
119
133
79
160
170
180
190
200
161
189
147
204
175
26
20
204
Pr-i
147
30
40
50
60
70
80
90
100
110
120
130
35 / 71
140
150
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
161
119
105
134
81
41
55
204
91
69
189
145
40
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
Me
119
105
134
91
204
81
41
55
39
Me
189
145
69
Pr-i
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:Cadinene $$ Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]- (CAS) Cadina-3,9-diene $$ (-)-.beta.-Cadinene $$ .beta.-Cadinene, (100
161
Me
41
55
27
204
134
119
105
81
91
Me
69
189
Pr-i
147
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
119
161
Me
Me
41
81
55
91
204
69
27
Pr-i
133
20
30
40
50
60
70
80
90
100
110
CompName:(-)-ISOLEDENE $$ ISOLEDEN $$ Isoledene $$
100
105
120
130
147
140
150
160
170
180
190
200
161
119
41
91
55
69
27
133
81
204
147
20
30
40
50
60
70
80
90
100
110
100
120
130
140
150
189
160
170
180
190
200
161
105
91
119
81
41
133
55
39
20
30
40
50
67
60
204
147
70
80
90
100
110
120
130
36 / 71
140
150
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
67
41
77
91
105
115
129
159
202
144
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1S-cis)- (CAS) Calamenene $$ l-Calamenene $$ (-)-Calamenene $$ Calamenene, (-)- $$ Cadina-1,3,5-triene $$ Cadina-1
100
159
Me
Me
41
77
91
105
115
128
Pr-i
202
144
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:Naphthalene, 1,2,3,4-tetrahydro-5,8-dimethyl-1-octyl- (CAS) 5,8-DIMETHYL-1-N-OCTYL-1,2,3,4-TETRAHYDRONAPHTHALENE $$
100
159
Me
Me
43
27
15
57
77
91
105
119
129
Me (CH 2 )7
144
272
173
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:trans-calamenene $$
100
159
41
77
65
91
105
115
127
202
144
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:Naphthalene, 1,2,3,4-tetrahydro-1,6,8-trimethyl- (CAS) 1,6,8-TRIMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE $$
100
159
Me
Me
174
27
14
51
77
63
91
105
115
128
Me
144
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:Naphthalene, 1,2,3,4-tetrahydro-1,1,6-trimethyl- (CAS) 1,2,3,4-TETRAHYDRO-1,1,6-TRIMETHYLNAPHTHALENE $$ Ionene $$ .alpha.-Ionene $$ Naphthalene,1,2,3,4-tetrahydro-1,6,
100
159
Me
Me
27
10
20
30
39
40
51
50
77
65
60
70
80
91
105
115
128
174
141
Me
90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
37 / 71
15/5/2013 10:13:30
<< Target >>

100
122
107
41
55
67
79
91
149
133
40
20
30
40
50
60
70
80
90 100 110
CompName:(-)-ALPHA-PANASINSEN $$
100
120
130
140
150
160
189
170
180
190
204
200
210
220
122
107
41
161
161
91
55
27
67
133
77
148
189
175
204
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:Seychellene (CAS) 1,6-Methanonaphthalene, decahydro-1,4,8a-trimethyl-9-methylene-, [1S-(1.alpha.,4.alpha.,4a.beta.,6.a $$ 1,6-Methanonaphthalene, decahydro-1,4,8a-trimethyl-9-methy
100
122
Me
Me
R1
79
55
93
Me
204
107
133
67
147
51
161
189
175
H2C
R1
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:CYCLOPENTANEACETIC ACID, 3-OXO-2-(2-PENTYNYL)-, METHYL ESTER $$ DECAHYDRO-2-OXA-9A-AZA-ANTHRACENE-1-THIONE $$
100
122
193
107
79
41
55
27
91
149
133
67
223
162
20
30
40
50
60
70
80
90 100 110
CompName:1,2-DIHYDROTHUJOPSEN-(I1) $$
100
120
130
140
150
160
170
180
190
200
210
220
122
107
41
55
27
81
69
91
135
206
191
149
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:4-ISOPROPYL-3,4-DIMETHYL-CYCLOHEXA-2,5-DIEN-1-ONE $$ 2,5-Cyclohexadien-1-one, 3,4-dimethyl-4-(1-methylethyl)- (CAS) 4-ISOPROPYL-3,4-DIMETHYL-CYCLOHEXA
100
122
Me
Pr-i
107
Me
O
27
20
30
41
40
77
65
50
60
70
80
91
90
149
100
110
120
130
140
38 / 71
150
164
160
170
180
190
200
210
220
15/5/2013 10:13:30
<< Target >>

100
105
161
41
69
55
81
119
91
204
133
149
20
30
40
50
60
70
80
90
100
110
CompName:.alpha.-cadinene $$
100
105
130
140
150
93
81
41
39
120
160
170
180
190
200
161
119
133
65
204
189
175
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
Me
161
81
41
43
27
94
204
Me
119
133
69
189
147
Pr-i
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
Me
161
81
93
41
26
204
Me
119
69
134
149
189
175
Pr-i
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-,(1R-(1.alpha.,4a.alpha.,8a.alpha.)]- $$ Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-,[1R-(1
100
105
161
81
93
41
204
119
69
26
134
149
189
175
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
161
27
20
30
40
204
93
81
41
43
119
134
69
50
60
70
80
90
100
110
120
130
39 / 71
189
149
140
150
175
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
157
142
40 44
91
77
65
109
115
20
30
40
50
60
70
80
90
100
110
CompName:CALACORENE $$ 1,1,6-trimethyl-1,2-dihydro naphthalene $$
100
200
128
120
130
168
140
150
160
170
180
190
200
157
142
115
20
30
40
50
60
70
80
90
100
110
CompName:.ALPHA.-CALACORENE $$
100
200
128
120
130
140
150
160
170
180
190
200
157
142
28
115
41
77
63
91
200
128
103
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
CompName:Naphthalene, 1,2-dihydro-1,1,6-trimethyl- (CAS) 1,1,6-trimethyl-1,2-dihydronaphthalene $$ 3,8,8-Trimethildihydronaphthalene $$
100
157
200
Me
Me
142
172
115
51
77
Me
128
89
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:Benzene, 1-methyl-4-[(1-methylethylidene)cyclopropyl]- (CAS) 1-(4-METHYLPHENYL)-2-ISOPROPYLIDENECYCLOPROPANE $$ Toluene, p-(isopropylidenecyclopropyl)- $$ Benz
100
157
Me 2 C
142
28
39
51
77
63
91
20
30
40
50
60
70
80
90
100
110
CompName:Benzene, 1-methyl-3-[(1-methylethylidene)cyclopropyl]- $$
100
Me
128
115
105
120
130
172
140
150
160
170
180
190
200
180
190
200
157
142
28
20
30
39
40
51
50
77
63
60
70
91
80
90
115
105
100
128
110
120
130
40 / 71
172
140
150
160
170
15/5/2013 10:13:30
<< Target >>

100
59
81
107
93
161
121
41
133
147
40
10
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:Elemol $$ Cyclohexanemethanol, 4-ethenyl-.alpha.,.alpha.,4-trimethyl-3-(1-methylethenyl)-, [1R-(1.alpha.,3.alpha.,4.beta.)]- (CAS) o-Menth-8-ene-4-methanol, .alpha.,.alpha.-dimethyl-1-v
100
59
CH CH 2
Me
28
93
43
81
107
161
121
189
149
10
20
30
40
50
60
70
80
90 100 110
CompName:HEDYCARYOL $$
100
59
120
130
140
150
160
CMe CH 2
Me 2COH
135
27
170
180
204
190
200
210
220
Me
CMe 2 OH
93
41
81
107
161
121
135
189
149
27
Me
204
10
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:5-Azulenemethanol, 1,2,3,3a,4,5,6,7-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,3a.beta.,5.alpha.)]- (CAS) Bulnesol $$ Guai-1(10)-en-11-ol $$ (+)-BULNESOL $$
100
59
135
Me
Me 2 COH
107
93
161
81
41
204
189
119
149
18
Me 222
10
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:Guaiol $$ 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, [3S-(3.alpha.,5.alpha.,8.alpha.)]- (CAS) 7-(1-HYDROXY-1-METHYLETHYL)-1,4-DIMETHYL-1
100
59
161
Me
Me 2 COH
107
41
43
81
93
119
133
39
189
149
204
Me
10
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160
CompName:ACETIC ACID 10,11-DIHYDROXY-3,7,11-TRIMETHYL-DODECA-2,6-DIENYL ESTER $$
100
43
81
170
180
222
190
200
210
220
190
200
210
220
59
93
41
107
134
119
153
29
10
20
30
40
50
60
70
80
90
100
110
120
130
140
41 / 71
150
161
160
179
170
180
15/5/2013 10:13:30
<< Target >>

100
79
41
93
69
43
106
121
133
149
40
161
177
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:Kaur-15-ene, (5.alpha.,9.alpha.,10.beta.)- (CAS) Isophyllocladene $$ Isophyllocladen $$ Phylloclad-15-ene $$ (+)-Isophyllocladene $$ Isophyllocladene, (+)- $$ KAUR-15-EN $$
100
120
106
272
Me
41
Me
91
55
69
133
81
147
28
Me
161
176
257
Me
187
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
100
43
Me
Me
Me
41
69
108
81
122
95
161
133
27
147
189
204
HO
222
Me
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:Methyl arachidonate $$ 5,8,11,14-Eicosatetraenoic acid, methyl ester, (all-Z)- (CAS) METHYL 5,8,11,14-EICOSATETRAENOATE $$ Arachidonic acid methyl ester $$ Methyl all-cis-5,8
100
67
79
41
93
55
MeO C(O) (CH 2)3 CH CH CH 2CH CH CH2CH CH CH 2CH CH(CH 2 )4Me
106
119
39
150
133
180
164
203
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
SI:77 Formula:C22 H32 O3 S CAS:58003-47-7 MolWeight:376 RetIndex:0
CompName:1H-Cyclopenta[a]pentalen-7-ol, decahydro-3,3,4,7a-tetramethyl-, 4-methylbenzenesulfonate (CAS)
100
91
Me
41
148
81
107
135
162
119
55
204
69
SO2
189
39
O
Me
175
Me
Me
Me
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:UNKNOWN FROM LIME OIL $$
100
121
133
93
105
79
41
204
67
55
39
148
161
20
30
40
50
60
70
80
90
189
100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
42 / 71
15/5/2013 10:13:30
<< Target >>

100
123
79
55
41
131
91
107
159
146
67
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280
CompName:Androst-4-en-3-one, 17-hydroxy-, (17.beta.)- (CAS) Testosterone $$ 4-ANDROSTEN-17.BETA.-OL-3-ON $$ Testosteron $$ Dofsol $$ Teslen $$ Testryl $$ Sustanon $$ Androlin $$ An
100
124
Me
OH
79
55
41
91
105
67
147
246
133
27
203
228
159
Me
288
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280
CompName:3-ISOPROPYL-TRICYCLO[4.3.1.1 2,5]UNDEC-3-EN-10-OL $$
100
81
93
105
41
145
67
43
173
119
27
163
135
188
206
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280
CompName:"NEOCLOVENOXID-ALKOHOL" $$
100
41
159
91
27
55
67
79
131
105
119
205
145
177
187
220
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280
CompName:
100
41
163
43
105
91
69
124
79
133
175
145
27
209
234
252
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280
CompName:Ledene $$ 1H-Cycloprop[e]azulene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,7.alpha.,7a.beta.,7b.alpha.)]- $$ Viridiflorene $$ (+)-Ledene $$ 1H-Cycloprop[e]azul
100
107
95
41
79
39
20
30
40
119
161
135
67
55
147
50
60
70
80
175
189
204
90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280
43 / 71
15/5/2013 10:13:30
<< Target >>

100
69
41
93
43
107
71
121
136
40
161
147
189
204
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
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 $$ Ner
100
69
41
43
H2C CH CMe(OH) CH 2 CH 2 CH CMe CH 2CH 2CH CMe 2
93
71
107
27
136
121
20
30
40
50
60
70
80
90
100
CompName:NEROLIDOL B (CIS OR TRANS) $$
100
41
69
110
120
161
148
130
140
150
160
170
179
189
180
190
179
189
180
190
204
200
93
43
71
107
39
136
121
161
148
20
30
40
50
60
70
80
90
100
CompName:NEROLIDOL A (CIS OR TRANS) $$
100
41
69
43
71
110
120
130
140
150
160
170
204
200
93
107
39
161
136
119
189
147
204
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:Nerolidol $$ 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 $$ 3,7,11-trimethyl-1,
100
69
93
41
107
43
H2C CH CMe(OH) CH 2 CH 2 CH CMe CH 2CH 2CH CMe 2
71
136
161
121
39
148
20
30
40
50
60
70
80
90
100
CompName:FARNESYL ACETATE 1 $$
100
69
41
81
110
107
39
30
40
50
60
70
80
130
140
150
160
170
180
190
200
93
43
20
120
189
90
100
110
119
120
135
130
44 / 71
147
140
150
161
160
189
170
180
190
204
200
15/5/2013 10:13:30
<< Target >>

100
157
142
40
43
77
65
115
105
91
20
30
40
50
60
70
80
90
100
110
100
200
129
120
130
140
150
160
170
180
190
200
157
142
115
20
30
40
50
60
70
80
90
100
110
100
200
128
120
130
140
150
160
170
180
190
200
157
142
28
115
41
77
63
91
200
128
103
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
CompName:Naphthalene, 1,2-dihydro-1,1,6-trimethyl- (CAS) 1,1,6-trimethyl-1,2-dihydronaphthalene $$ 3,8,8-Trimethildihydronaphthalene $$
100
157
200
Me
Me
142
172
39 43
27
77
63
106
91
115
Me
128
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
157
Me 2 C
142
28
39
51
77
63
91
20
30
40
50
60
70
80
90
100
110
100
Me
128
115
105
120
130
172
140
150
160
170
180
190
200
180
190
200
157
142
28
20
30
39
40
51
50
77
63
60
70
91
80
90
115
105
100
128
110
120
130
45 / 71
172
140
150
160
170
15/5/2013 10:13:30
<< Target >>

100
41
91
119
105
69
159
79
131
205
147
177
40
187
220
20
30
40
50
60
70
80
90 100 110 120
CompName:SPATHULENOL $$
100
43
130
140
150
160
170
180
190
200
210
Me
220
Me
Me
OH
41
91
69
205
119
159
105
79
147
187
131
177
220
H2 C
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:(-)-Spathulenol (CAS) 1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1aS-(1a.alpha.,4a.alpha.,7.beta $$ ent-Spathulenol $$ 1H-Cycloprop[e]azulen-7-ol, decahydro
100
43
Me
Me
Me
OH
41
69
91
119
105
79
159
205
147
131
27
187
177
20
30
40
50
60
70
80
90 100 110
100
41
120
130
140
150
160
170
180
H2 C
190
220
200
210
220
159
91
27
55
67
79
131
105
205
119
145
177
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180
CompName:4,6,6-TRIMETHYL-2-(3-METHYL-BUTA-1,3-DIENYL)-3-OXA-TRICYCLO[5.1.0.0 2,4]OCTANE $$
100
107
41
91
187
220
190
200
210
220
119
69
43
79
133
147
161
203
175
27
218
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:1-Naphthalenamine, 4-bromo- (CAS) 4-Bromo-1-naphthalenamine $$ 4-Bromo-1-naphthylamine $$ 1-Naphthylamine, 4-bromo- $$ 1-Amino-4-bromonaphthalene $$ 6-ISOPROPENYL-4
100
159
Br
41
93
55
67
187
145
105
121
220
131
205
79
27
20
30
NH 2
177
40
50
60
70
80
90
100
110
120
130
140
46 / 71
150
160
170
180
190
200
210
220
15/5/2013 10:13:30
<< Target >>

100
43
109
123
163
149
234
191
77
135
91
65
41
176
219
201
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:.beta. ISO METHYL IONONE $$ 3-METHYL-4-(2,6,6-TRIMETHYL-CYCLOHEX-1-ENYL)-BUT-3-EN-2-ONE $$ 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CA
100
135
191
107
43
150
91
41
206
123
79
163
65
27
177
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:ISOVALINE, 3-METHYL- $$ ACETIC ACID 7-ISOPROPENYL-1,4A-DIMETHYL-3-OXO-2,3,4,4A,5,6,7,8-OCTAHYDRO-NAPHTHA $$
100
234
151
43
163
276
41
67
27
79
219
191
91
109
121
173
135
201
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:4-(3,3-DIMETHYL-BUT-1-YNYL)-4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-ENONE $$
100
41
149
43
191
163
91
69
27
107
77
135
121
219
178
206
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:2,5,5,8A-TETRAMETHYL-4-METHYLENE-4A,5,6,7,8,8A-HEXAHYDRO-4H-CHROMENE $$
100
123
191
137
43
41
69
27
95
206
149
109
163
77
177
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:DAVANA ETHER 2 $$ DAVANA OIL $$
100
109
43
124
166
151
68
41
39
20
30
40
234
96
137
81
219
50
60
70
80
90
100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
47 / 71
15/5/2013 10:13:30
<< Target >>

100
41
79
69
93
109
121
133
40
149
161
177
187
205
220
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
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 oxid
100
41
Me Me
79
Me
93
39
69
109
121
135
20
30
40
50
60
70
80
90 100 110
CompName:
100
41
81
130
140
150
161
160
H2 C
177
170
180
190
200
210
220
93
109
69
55
120
149
119
206
135
27
150
163
191
173
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190
CompName:CYCLOHEPTAN, 4-METHYLEN-1-METHYL-2-(2-METHYL-1-PROPEN-1-YL)-1-VINYL- (HUMULEN-"V $$
100
93
107
41
200
210
220
210
220
81
67
55
119
133
161
189
147
27
176
20
30
40
50
60
70
80
90 100 110
CompName:Cyclobutene, 4,4-dimethyl-1-(2,7-octadienyl)- (CAS)
100
41
93
120
130
140
150
160
170
180
204
190
200
79
67
55
108
27
H 2 C CH (CH 2 ) 3 CH CH CH 2
121
133
20
30
40
50
60
70
80
90 100 110 120
CompName:CYCLOBUTENE, 1-(1,7-OCTADIENYL)-4,4-DIMETHYL- $$
100
41
93
130
147
140
150
190
175
160
170
Me
180
190
200
210
220
200
210
220
79
67
55
108
27
121
133
20
30
40
50
60
70
80
90
100
110
120
130
147
140
48 / 71
150
190
175
160
170
180
190
Me
15/5/2013 10:13:30
<< Target >>

100
43
69
81
109
161
121
41
95
147
136
189
204
175
40
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
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.)]- $$
100
43
Me
Me
Me
69
41
109
81
95
161
122
135
204
189
147
HO
39
175
Me
222
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:VERIDIFLOROL $$ 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
109
43
Me
161
69
41
81
93
Me
Me
121
133
189
147
204
HO
39
175
Me
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
100
43
Me
41
Me
Me
69
109
122
81
95
161
27
147
133
204
HO
189
222
Me
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:Palustrol $$ 4aH-Cycloprop[e]azulen-4a-ol, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,4.beta.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]- (CAS) Palustrol (Ledum) $$ 4aH-Cycloprop[e]azu
100
41
111
Me
122
55
69
81
Me
Me
95
161
27
HO
147
133
189
204
Me
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:5.BETA.,7.BETA.H,10.ALPHA.-EUDESM-11-EN-1.ALPHA.-OL $$ 2-BENZYL-7-ISOPROPYL-10-METHYL-1,5-DITHIA-SPIRO[5.5]UNDECANE 1-OXIDE $$
100
204
41
55
67
81
107
93
122
161
147
20
30
189
175
135
27
40
50
60
70
80
90
100
110
120
130
140
49 / 71
150
160
170
222
180
190
200
210
220
15/5/2013 10:13:30
<< Target >>

100
135
161
105
95
43
122
79
41
67
150
40
177
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
109
43
Me
161
69
41
81
93
Me
Me
121
133
189
147
204
HO
39
175 Me
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:4-(2',6',6'-TRIMETHYL-CYCLOHEX-1'-EN-1'-YL)-BUTANAL $$ 1-Cyclohexene-1-butanal, 2,6,6-trimethyl- (CAS) 1-Cyclohexene-1-butyraldehyde, 2,6,6-trimethyl- $$
100
81
123
95
41
161
105
55
67
135
Me
Me
Me
179
150
194
(CH 2 ) 3 CHO
196
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:2-Butanol, 4-(2,2-dimethyl-6-methylenecyclohexylidene)- (CAS) BICYCLO[3.3.1]NON-6-ENE-2-CARBOXYLIC ACID ETHYL ESTER $$ retro-.gamma.-Ionol $$ .DELTA.1,.gamma.100
135
93
121
107
41
161
79
69
176
149
27
20
30
40
50
60
70
80
90
100
CompName:
100
43
110
120
130
140
135
41
69
81
150
194
160
170
180
190
200
150
107
95
193
122
175
165
27
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:(1aR,4R,7R,7aS,7bR)-1a,2,3,4,6,7,7a,7b-Octahydro-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene $$ TRICYCLO[6.3.0.1E2,3]UNDEC-7-EN, 6,10,11,11-TETRAMETHYL- $$ 1H-Cyclopr
100
122
161
55
67
204
107
93
41
81
147
133
27
20
189
30
40
50
60
70
80
90
100
110
120
130
50 / 71
140
150
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
105
161
43
41
69
93
119
79
147
133
204
189
175
40
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
100
109
43
Me
161
69
41
81
93
Me
Me
121
133
189
147
204
HO
39
175
Me
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
100
41
161
Me
69
55
Me
Me
93
204
107
79
121
133
189
147
27
H 2C
175
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:.gamma.-Gurjunene $$ Azulene, 1,2,3,3a,4,5,6,7-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1R-(1.alpha.,3a.beta.,4.alpha.,7.beta.)]- (CAS) 1.beta.,4.beta.H,10.beta.H-Guaia-5,11-diene
100
161
81
Me
107
H 2 C CMe
121
204
189
93
41
55
133
147
67
39
175
20
30
40
50
60
70
80
90 100 110
100
41
130
140
150
81
160
170
180
190
200
210
220
161
105
91
69
120
Me
119
133
204
147
55
189
39
175
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
100
59
161
Me
41
Me 2 COH
107
91
79
121
189
149
133
204
Me
27
20
30
40
50
60
70
80
90
100
110
120
130
140
51 / 71
150
160
170
180
190
200
210
222
220
15/5/2013 10:13:30
<< Target >>

100
122
92
136
107
59
149
206
79
164
177
44
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:Androst-1-en-3-one, (5.alpha.)- (CAS) .DELTA.1-5.ALPHA.-ANDROSTAN-3-ONE $$ 5.ALPHA.ANDROST-1-EN-3-ONE $$ 5.alpha.-Androst-1-en-3-one $$
100
79
122
67
Me
95
109
230
Me
188
65
135
272
149
173
202
257
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:4a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one $$ 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a-methyl- (CAS) 3H-NAPHTHALIN-2-ON, 4,4A,5,6,7,8-HEXAHYDRO-, 4A-M
100
122
107
164
136
79
93
41
27
55
67
149
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:trans-2-hydroxy-3-methylene-8-methyltricyclo[5.4.0.1(1,4)]dodecane $$
100
149
206
92
41
79
55
67
122
98
177
133
163
189
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:cis-Jasmone $$ 2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)- (CAS) Jasmone $$ (Z)-Jasmone $$ Z-jasmone $$ CIS JASMONE $$ 3-Methyl-2-(cis-2-penten-1-yl)-2-cyclopenten-1100
164
149
79
110
122
Me
135
91
55
39
67
Et CH CH CH 2
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
CompName:Z-jasmone $$
100
41
110
79
92
55
164
122
135
20
30
149
67
29
40
50
60
70
80
90
100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270
52 / 71
15/5/2013 10:13:30
<< Target >>

100
67
109
43
96
41
138
81
123
147
40
20
30
40
50
60
70
80
90
CompName:HUMULENE OXIDE $$
100
43
100
110
120
130
140
161
150
160
170
150
160
170
109
41
138
67
96
81
123
39
20
30
40
50
60
70
80
90
100
43
100
110
120
130
140
67
41
79
93
109
137
119
38
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
100
43
Me Me
41
69
79
93
Me
109
O
121
39
138
149 H2 C
161
177
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
100
67
Me
109
41
Me
Me
83
137
95
27
O
119
152
20
30
40
50
60
70
80
90
100
110
120
CompName:TRIPLAL 1 (IFF) $$ 2,4-DIMETHYL-3-CYCLOHEXENE-1-CARBALDEHYDE $$
100
67
130
140
150
160
170
150
160
170
107
39
123
95
138
79
55
38
20
30
40
50
60
70
80
90
100
110
53 / 71
120
130
140
15/5/2013 10:13:30
<< Target >>

100
105
91
41
55
67
119
131
159
145
77
177 187
200
40
10
30
50
70
90
110
130
150
170
190
210
230
250
270
290
310
330
350
100
159
Br
41
93
55
67
187
145
105
220
121 131
205
79
27
NH 2
177
10
30
50
70
90
110
130
150
170
100
41
190
210
230
250
270
290
310
330
350
10
30
50
70
90
110
130
150
170
190
210
230
250
270
290
310
330
CompName:Androstan-17-one, 3-ethyl-3-hydroxy-, (5.alpha.)- (CAS) 3-ETHYL-3-HYDROXY-17-OXO-5.ALPHA.-ANDROSTANE $$
100
91
350
159
91
27
55
67
79
131
105
119
205
145
177 187
220
79
55
Me
105
67
41
119
135
Me
147
18
161
175
10
30
50
70
90
110
130
150
170
CompName:SPATHULENOL $$
100
43
190
218
Et
190
210
230
250
270
290
HO
310
330
Me
350
Me
Me
OH
41
119
91
69
205
159
105
79
147
187
131
177
220
H2 C
10
30
50
70
90
110
130
150
170
190
210
230
250
270
290
310
330
SI:78 Formula:C27 H45 BR CAS:516-91-6 MolWeight:448 RetIndex:0
CompName:Cholest-5-ene, 3-bromo-, (3.beta.)- $$ Cholest-5-ene, 3.beta.-bromo- $$ Cholesteryl bromide $$ 3.beta.-Bromocholest-5-ene $$
100
81
105
147
91
Me
43
CHMe(CH2)3CHMe2
41
67
121
Me
133
159
213
29
10
30
350
50
70
90
110
130
150
170
190
210
54 / 71
247
230
Br
255
250
270
290
310
330
350
15/5/2013 10:13:30
<< Target >>

100
109
41
67
81
161
93
123 133
179
153
204
189
40
355
222
281
401
20
40
60
80
100 120
140 160
180 200 220
240 260
280 300 320
340 360
380 400
100
43
Me
Me
Me
41
69
109
81
161
93
122
27
204
189
135 147
HO
Me
20
40
60
80
100 120
140 160
180 200
CompName:GLOBULOL $$
100
43
220
240
260
280
300
320
340
360
380
Me
400
Me
Me
41
69
81
95
109
161
122
27
135
204
189
147
HO
Me
20
40
60
80
100 120
140 160
180 200 220
240 260
280 300 320
340 360
380 400
CompName:DRIMINOL $$ 1-Naphthalenemethanol, 1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl- (CAS) Drimenol $$ (2,5,5,8A-TETRAMETHYL-1,4,4A,5,6,7,8,8A-OCTAHYDRO-NAPHTHA
100
109
Me
Me
124
41
55
69
81
Me
Me
91
133
27
147
161
189
204
222
HO CH 2
20
40
60
80
100 120
140 160
180 200 220
240 260
280 300 320
340 360
380 400
CompName:.beta.-Ionol $$ 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS) 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol $$ 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-ol $$ .beta
100
109
41
69
55
Me
Me
Me
81
91
27
121 133
150
CH CHCH(OH)Me
194
163
20
40
60
80
100 120
140 160
180 200 220
240 260
280 300 320
340 360
380 400
CompName:1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,4.alpha.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]- (CAS) Ledol $$ d-Ledol $$ (+)-Ledol $$ 1H-Cycloprop[e]azule
100
43
Me
Me
Me
41
69
81
109
93
122
27
133
20
40
60
80
100
120
147
140
161
HO
189
160
180
Me
204
200
220
240
55 / 71
260
280
300
320
340
360
380
400
15/5/2013 10:13:30
<< Target >>

100
43
119
105
161
91
41
69
79
131
147
179
40
20
30
40
50
60
70
80
90
100
110
CompName:(+) spathulenol $$
100
43
120
130
140
150
160
170
204
187
180
190
Me
200
Me
Me
OH
41
69
79
91
119
105
27
147
131
205
159
177
H 2 C187
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
HO Me
105
119
93
41
204
81
Me
133
69
27
20
30
40
50
60
70
80
90
100
CompName:LEDENOXID-(II) $$
100
41
110
120
130
147
140
150
189
175
160
170
180
190
Pr-i
200
27
69
81
91
159
105
119
20
30
40
50
60
70
80
90
100
110
CompName:DIEPI-.ALPHA.-CEDREN I $$
100
120
131
145
130
140
177
150
160
170
180
202
187
190
200
119
41
93
105
55
69
27
204
161
77
134
148
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
105
119
161
Me
Me
93
41
81
55
20
i-Pr
69
27
30
40
50
60
70
136
80
90
100
110
120
130
56 / 71
140
147
150
204
189
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
161
59
189
133
81
41
91
204
107
149
119
20
30
40
50
60
70
80
90 100 110
CompName:10-epi-.gamma.-eudesmol $$
100
59
120
130
140
150
175
160
170
222
180
161
190
200
210
220
189
133
43
91
204
105
81
55
149
119
175
222
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
100
161
Me
59
Me 2 COH
107
81
41
93
119
133
189
149
204
Me 222
27
20
30
40
50
60
70
80
90 100 110 120
CompName:Agaruspirol $$ Agarospirol $$
100
130
140
150
160
170
180
190
200
210
220
161
Me
59
105
93
41
CMe 2 OH
204
119
189
147
135
81
55
39
Me
175
222
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:1H-CYCLOPROPA[A]NAPHTHALENE, DECAHYDRO-1,1,3A-TRIMETHYL-7-METHYLENE-, [1AS-(1A.A $$ 1H-Cyclopropa[a]naphthalene, decahydro-1,1,3a-trimethyl-7-methylen
100
161
105
189
133
91
41
67
55
27
204
119
79
147
175
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160
CompName:2-ISOPROPENYL-4A,8-DIMETHYL-1,2,3,4,4A,5,6,8A-OCTAHYDRO-NAPHTHALENE $$
100
170
180
190
200
210
220
210
220
189
41
93
204
107
81
133
55
121
67
147
161
175
27
20
30
40
50
60
70
80
90
100
110
120
130
140
57 / 71
150
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
161
119
69
41
91
105
77
131
147
204
179
53
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
119
161
105
Me
Me
93
41
39
77
43
204
i-Pr
133
67
147
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
Me
105
119
91
79
41
133
55
39
204
Me
67
148
20
30
40
50
60
70
80
90
100
110
120
130
140
CompName:TRICYCLO[4.1.0.0(3,5)]HEPTANE, 2-ISOBUTENYL-4,4,7,7-TETRAMETHYL- $$
100
41
105
91
150
Pr-i
189
160
170
180
190
200
161
119
133
43
69
77
189
147
27
204
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:Tricyclo[4.1.0.0(2,4)]heptane, 3,3,7,7-tetramethyl-5-(2-methyl-1-propenyl)- (CAS) Tricyclo[4.1.0.02,4]heptane, 3,3,7,7-tetramethyl-5-(2-methyl-1-propenyl)- $$
100
41
161
Me
105
91
119
Me
133
43
Me
Me
69
77
189
147
27
204
Me 2 C CH
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
CompName:6,10,11,11-TETRAMETHYL-TRICYCLO[5.3.0.1(2,3)]UNDEC-1(7)ENE $$ AROMADENDRENE VI $$
100
161
105
170
180
190
200
Me
41
Me
Me
91
27
119
204
55
133
77
67
189
147
H 2C
20
30
40
50
60
70
80
90
100
110
120
130
58 / 71
140
150
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
136
69
41
79
55
91
109
120
149
159
150
160
40
20
30
40
50
60
70
80
90
100
110
CompName:TETRACYCLO[6.3.2.0E2,5.0E1,8]TRIDECAN-9-OL, 4,4-DIMETHYL- $$
100
120
130
140
170
136
41
69
55
27
91
79
105
117
164
149
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
CompName:2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4a,8a-dimethyl-, cis- (CAS) CIS-9,10-DIMETHYL-.DELTA.3-2-OCTALONE $$
100
41
69
95
136
Me
79
55
170
109
178
121
163
Me
150
20
30
40
50
60
70
80
90
CompName:3-METHYLENE-BICYCLO[3.2.1]OCT-6-EN-8-OL $$
100
79
100
110
120
130
140
150
160
170
140
150
160
170
136
91
39
117
105
27
53
67
20
30
40
50
60
70
80
90
CompName:3-METHYLENE-BICYCLO[3.2.1]OCT-6-EN-8-OL $$
100
79
39
100
110
120
130
136
91
27
117
105
53
67
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
SI:76 Formula:C10 H17 N O CAS:4514-87-8 MolWeight:167 RetIndex:0
CompName:Bicyclo[2.2.1]heptan-2-one, 4,7,7-trimethyl-, oxime (CAS) 3-HYDROXYIMINOBORNANE $$ Isonitrosocamphor $$ 3-Bornanone, oxime $$
100
69
Me
136
41
95
151
108
81
39
122
20
30
40
Me
53
50
60
70
80
90
100
110
59 / 71
120
NOH
Me
130
140
150
160
170
15/5/2013 10:13:30
<< Target >>

100
161
105
81
53
204
134
93
43
119
20
30
40
50
60
70
80
90
100
110
CompName:EPI-BICYCLOSESQUIPHELLANDRENE $$
100
120
189
145
67
130
140
150
160
170
180
190
200
161
105
41
81
55
119
91
204
133
67
27
20
30
40
50
60
70
80
90
100
110
120
130
CompName:BICYCLO[4.4.0]DEC-1-EN, 2-ISOPROPYL-5-METHYL-9-METHYLENE- $$
100
147
140
150
189
160
170
180
190
200
161
105
41
81
55
91
204
119
133
67
27
147
189
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
100
161
Me
105
41
81
29
55
119
204
134
91
Me
69
189
147
Pr-i
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
200
CompName:.gamma.-Cadinene $$ Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-(1-methylethyl)-, (1.alpha.,4a.beta.,8a.alpha.)- (CAS) .gamma. 2-cadinene $$ NAPHTHALENE, 1
100
161
CH 2
41
79
55
27
105
91
133
105
41
55
20
30
40
69
79
119
91
Pr-i
148
20
30
40
50
60
70
80
90
100
110
120
130
140
150
CompName:(+)-CALARENE OR (+)-.BETA.-GURJUNENE $$ (+)-BETA-GURJUNEN (CALAREN) $$
100
39
204
Me
119
69
133
176
160
170
180
189
190
200
161
189
147
204
175
50
60
70
80
90
100
110
120
130
60 / 71
140
150
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
95
43
121
71
109
164
58
41
139
40
204
152
179
222
189
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
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 $$
100
95
43
HO Me
121
161
41
81
204
105
69
137
149
Me
Pr-i
222
179
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:t-Muurolol $$ 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.)]- (CAS) 1.beta.,10.beta.H-Cadin-4-en-10-ol $$ (-)-T100
95
HO Me
121
161
81
109
137
67
Me
149
204
Pr-i
189
222
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:.alpha.-Cedrol $$ 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, [3R-(3.alpha.,3a.beta.,6.alpha.,7.beta.,8a.alpha.)]- (CAS) Cedrol $$ 8.beta.H-Cedran-8-ol $$ 1H-3a,7-Metha
100
95
Me
41
Me
151
69
81
107
39
121
Me
135
HO
161
20
30
40
50
60
70
80
90 100 110
CompName:spathulanol $$
100
43
120
130
140
150
177
160
170
180
207
189
190
200
210
Me
220
41
95
69
81
107
121
161
27
20
30
40
50
60
70
80
90 100 110
CompName:EPICEDROL $$
100
95
120
130
207
149
133
140
150
189
160
170
180
190
222
200
210
220
150
81
41
107
69
135
121
165
27
20
30
40
50
60
70
80
90
100
110
120
130
140
61 / 71
150
160
207
177
170
180
190
200
210
222
220
15/5/2013 10:13:30
<< Target >>

100
161
119
105
43
41
81
67
95
177
133
204
147
40
187
10
20
30
40
50
60
70
80
90
100 110 120 130 140 150 160 170 180 190 200
100
43
161
HO Me
119
41
105
95
81
69
204
Me
27
134
Pr-i
189
147
10
20
30
40
50
60
70
80
90
100 110 120 130 140 150 160 170 180 190 200
100
119
161
Me
93
69
41
Me
204
105
55
Me
133
77
147
27
10
20
30
40
50
60
70
80
90
100
41
100
120
130
140
150
160
170
Me
189
180
190
200
161
105
91
69
110
HO
81
119
133
204
147
55
189
39
175
10
20
30
40
50
60
70
80
90
100 110 120 130 140 150 160 170 180 190 200
100
41
Me
Me
Me
69
55
81
91
105
161
119
133
147
H 2C
10
20
30
40
50
60
70
80
90
100 110 120 130
CompName:TRICYCLO[4.1.0.0(3,5)]HEPTANE, 2-ISOBUTENYL-4,4,7,7-TETRAMETHYL- $$
100
41
105
91
140
150
160
170
180
200
161
119
69
77
189
147
27
20
190
204
133
43
10
189
204
30
40
50
60
70
80
90
100
110
120
62 / 71
130
140
150
160
170
180
190
200
15/5/2013 10:13:30
<< Target >>

100
95
121
43
59
109
41
161
81
149
204
137
189
175
40
222
10
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
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 $$
100
95
43
HO Me
121
161
41
81
204
105
69
137
149
Me
Pr-i222
179
10
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190
CompName:Cedrenol $$ 1H-3a,7-Methanoazulen-5-ol, octahydro-3,8,8-trimethyl-6-methylene- (CAS) Cedr-8(15)-en-9-ol $$
100
41
95
200
220
Me
Me
150
69
210
81
107
121
161
135
H2C
Me
204
27
HO
10
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
100
109
43
Me
161
69
41
81
93
Me
Me
121
133
189
147
204
HO
39
175
Me
10
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
100
95
Me
41
Me
151
69
81
107
39
121
Me
135
HO
161
177
Me
207
189
10
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:Elemol $$ 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-1-v
100
59
CH CH 2
Me
93
81
41
107
161
121
149
27
10
20
30
Me 2COH
189
135
40
50
60
70
80
90
100
110
120
130
140
63 / 71
150
160
170
180
190
CMe CH 2
204
200
210
220
15/5/2013 10:13:30
<< Target >>

100
159
81
117
91
67
55
135
175
145
105
189
41
204
220
20
30
40
50
60
70
80
90 100 110
CompName:ENDO-8-HYDROXY-CYCLOISOLONGIFOLENE $$
100
120
130
140
150
160
170
180
190
200
210
220
159
41
43
27
205
131
91
81
117
105
220
145
69
176
187
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
100
159
Br
41
93
55
67
187
145
105
121
220
131
205
79
27
NH 2
177
20
30
40
50
60
70
80
90 100 110
100
41
120
130
140
150
160
170
180
190
200
210
220
159
91
27
55
67
79
131
105
205
119
20
30
40
50
60
70
80
90 100 110
CompName:CYCLOISOLONGIFOL-5-OL $$
100
120
145
130
140
177
150
180
190
200
210
220
205
91
131
81
107
117
220
145
69
39
170
220
159
41
43
160
187
176
187
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
CompName:ENDO-8-HYDROXY-CYCLOISOLONGIFOLENE $$ ISOLONGIFOLEN, 7,8-DEHYDRO-8a-HYDROXY- $$ CYCLOISOLONGIFOLEN, 8-HYDROXY-, ENDO- $$
100
159
205
91
41
117
220
105
27
30
40
145
176
187
81
43
20
131
67
50
60
70
80
90
100
110
120
130
140
64 / 71
150
160
170
180
190
200
210
220
15/5/2013 10:13:30
<< Target >>

100
157
142
40
43
81
67
91
115
105
20
30
40
50
60
70
80
90 100 110 120
100
200
128
130
140
150
160
170
180
190
200
210
220
230
210
220
230
157
142
115
200
128
20
30
40
50
60
70
80
90 100 110 120
100
130
140
150
160
170
180
190
200
157
142
28
115
41
77
63
91
200
128
103
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220 230
100
157
Me 2 C
142
28
39
51
77
63
91
105
Me
128
115
20
30
40
50
60
70
80
90 100 110 120
100
172
130
140
150
160
170
180
190
200
210
220
230
180
190
200
210
220
230
157
142
28
39
51
77
63
91
128
115
105
20
30
40
50
60
70
80
90 100 110 120
CompName:4-(2-Indenyl)-3,4-dimethyl-2-pentanone $$
100
30
40
50
60
70
80
90
100
110
130
120
140
150
160
170
157
142
129
115
20
172
130
140
228
150
65 / 71
160
170
180
190
200
210
220
230
15/5/2013 10:13:30
<< Target >>

100
41
81
93
67
55
107
123
149
135
164
40
177
187
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240
CompName:Androstan-17-one, 3-ethyl-3-hydroxy-, (5.alpha.)- (CAS) 3-ETHYL-3-HYDROXY-17-OXO-5.ALPHA.-ANDROSTANE $$
100
91
79
55
Me
105
67
41
119
135
Me
147
18
161
175
190
218
Et
HO
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240
CompName:DUVATRIENDIOL $$
100
81
136
93
121
69
55
43
105
161
149
177
246
189
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240
CompName:CYCLOHEPTAN, 4-METHYLEN-1-METHYL-2-(2-METHYL-1-PROPEN-1-YL)-1-VINYL- (HUMULEN-"V $$
100
93
107
41
81
67
55
119
133
161
189
147
27
176
204
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240
100
79
93
107
41
161
67
55
119
133
147
189
27
204
175
10 20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240
100
41
93
105
81
CH 2
H 2 C CMe
121
67
55
204
161
133
189
147
27
175
10
20
30
40
50
60
70
80
90
Me
100 110 120 130 140 150 160 170 180 190 200 210 220 230 240
66 / 71
15/5/2013 10:13:30
<< Target >>

100
183
168
198
153
40
83
65
89
115
99
165
128
10
20
30
40
50
60
70
80
90
100 110 120 130 140 150 160 170 180 190 200
CompName:Naphthalene, 1,6-dimethyl-4-(1-methylethyl)- (CAS) Cadalin $$ 1,6-DIMETHYL-4-ISOPROPYLNAPHTHALENE $$ Cadalene $$ 4-Isopropyl-1,6-dimethylnaphthalene $$ Naphthalene,
100
183
Me
198
Me
153
51
27
83
63
165
Pr-i
128
115
89
10
20
30
40
50
60
70
80
90
100 110 120 130 140 150 160 170 180 190 200
CompName:Azulene, 1,4-dimethyl-7-(1-methylethyl)- (CAS) Azunol $$ Guaiazulene $$ Azulol $$ Azulon $$ Cuteazul $$ Eucazulen $$ Silazulon $$ Purazulen $$ Uroazulen $$ Kessazulen $$ Vetivaz
100
183
Me
198
i-Pr
18
83
28
51
63
168
153
92
10
20
30
40
50
60
70
80
90
CompName:2,3,4,6,8-Pentamethylazulene $$
100
100
110
Me
128
115
99
120
130
140
150
160
170
180
190
200
198
183
165
152
168
10
20
30
40
50
60
70
80
90
100 110 120 130 140 150 160 170 180 190
CompName:1,4-methano-5,6,7,8-tetramethyl-1,4-dihydro-naphthalene $$ 1,4-Methanonaphthalene, 1,4-dihydro-5,6,7,8-tetramethyl- (CAS)
100
183
200
198
115
91
128
10
20
30
40
50
60
70
80
90
100 110 120
CompName:Benzene, ethylphenoxy- (CAS) AR-ETHYLPHENYL PHENYL ETHER $$
100
130
157
141
140
168
150
160
170
180
183
190
200
D1
198
77
39
27
10
20
30
40
51
50
60
105
91
65
70
80
90
100
115
110
153
128
120
67 / 71
130
140
150
160
170
D1
181
Et
180
190
200
15/5/2013 10:13:30
<< Target >>

100
96
161
55
41
107
81
65
119
149
136
40
175
10
20
30
40
50
60
70
80
90
CompName:1,5-epoxysalvial-4(14)-ene $$
100
100
110
120
130
140
150
160
170
180
190
96
123
41
81
67
43
159
107
39
177
149
133
10
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
CompName:7-isopropenyl-4,4,8,8-tetramethylbicyclo[4.2.0]octan-1,5-diol $$ 7-ISOPROPENYL-4,4,8,8-TETRAMETHYL-BICYCLO[4.2.0]OCTANE-1,5-DIOL $$ Bicyclo[4.2.0]octane-1,5-diol, 4,4
100
96
81
41
43
67
27
125
107
135 141
10
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
CompName:1,1'-Bicyclohexyl, 4,4'-dimethyl- (CAS) 4,4'-DIMETHYL-BICYCLOHEXANE $$ 4,4'-Dimethyl-1,1'-bicyclohexane $$
100
55
96
180
190
81
Me
Me
41
67
194
98
27
123
136
10
20
30
40
50
60
70
80
90
100
110
120
130
140
150
160
170
180
190
CompName:1H-Indene, 1-hexadecyloctahydro- (CAS) 1-n-Hexadecylhydrindane $$ .alpha.-n-Hexadecylhydrindane $$ 1-n-Hexadecylbicyclo(4.3.0)nonane $$ 1-n-Hexadecyl(hydroindan) $$
100
96
(CH 2 ) 15 Me
81
67
41
123
109
39
10
20
30
40
50
60
70
80
90
100
SI:60 Formula:C7 H13 BR O CAS:0-00-0 MolWeight:192 RetIndex:0
CompName:4-BROMO-2,3,3-TRIMETYLBUT-3-ENE-1-OL $$
100
81
137
110
120
130
140
152
150
160
170
180
190
170
180
190
161
113
41
43
95
67
27
133
107
10
20
30
40
50
60
70
80
90
100
110
120
68 / 71
130
140
150
160
15/5/2013 10:13:30
<< Target >>

100
105
93
67
41
159
117
79
131
220
145
177
187
20
30
40
50
60
70
80
90 100 110 120 130 140 150 160 170 180 190 200 210 220
100
159
Br
41
105
93
55
67
187
145
121
220
131
205
79
27
NH 2
177
20
30
40
50
60
70
80
90 100 110
100
41
120
130
140
150
160
170
180
190
200
210
220
159
91
27
55
67
79
131
105
205
119
20
30
40
50
60
70
80
90 100 110
CompName:.beta.-copaen-4 .alpha.-ol $$
100
120
145
130
140
177
150
160
170
180
187
220
190
200
210
220
210
220
159
41
91
43
79
117
105
131
67
145
20
30
40
50
60
70
80
90 100 110
CompName:ENDO-8-HYDROXY-CYCLOISOLONGIFOLENE $$
100
120
130
140
177
150
160
170
180
187
190
202
200
159
41
27
205
131
91
81
43
117
105
220
145
69
20
30
40
50
60
70
80
90 100 110
CompName:CYCLOISOLONGIFOL-5-OL $$
100
120
130
140
176
150
30
40
107
60
70
90
210
220
220
145
80
200
117
69
50
190
131
81
20
180
205
91
39
170
159
41
43
160
187
100
110
120
130
140
69 / 71
176
150
160
170
180
187
190
200
210
220
15/5/2013 10:13:30
<< Target >>

100
43
79
107
91
67
41
122
159
40
133
179
147
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280
100
41
Me Me
79
Me
93
69
39
109
121
135
149
161
H2 C
177
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280
CompName:ISOAROMADENDRENEPOXID $$
100
41
43
27
67
81
93
107
121
135
149
162
177
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280
CompName:GLOBULOL $$
100
43
Me
Me
Me
41
69
81
95
109
161
122
27
135
189
147
204
HO
Me
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280
CompName:Kauran-18-al, 17-(acetyloxy)-, (4.beta.)- (CAS) 17-ACETOXY-19-KAURANAL $$
100
43
Me
41
CH 2 OAc
81
67
91
29
123
109
CH O
135
149
161
286
Me
187
20 30 40 50 60 70 80 90 100 110 120 130 140 150 160 170 180 190 200 210 220 230 240 250 260 270 280
CompName:1H-Cycloprop[e]azulen-4-ol, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a.alpha.,4.alpha.,4a.beta.,7.alpha.,7a.beta.,7b.alpha.)]- (CAS) Ledol $$ d-Ledol $$ (+)-Ledol $$ 1H-Cycloprop[e]azule
100
43
Me
Me
Me
41
69
81
109
93
122
27
133
20
30
40
50
60
70
80
147
161
HO
189
204
Me
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CompName:ARISTOLENEPOXIDE $$
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CompName:1H-Benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4a,7-tetramethyl-, cis- (CAS) Widdrol $$ 1H-Benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4a.alpha.,7.beta.-tetramethyl
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95
Me
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69
Me
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189 Me
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CompName:(-)-NEOCLOVEN-(II), DIHYDRO- $$
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81
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HO
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Me
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CompName:DIHYDRO-NEOCLOVENE-(II) $$
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CompName:2,6,6-Trimethyl-1-cyclohexene-1-acetaldehyde $$ 1-Cyclohexene-1-acetaldehyde, 2,6,6-trimethyl- $$ 3-CHLORO-BICYCLO[3.2.1]OCT-3-ENE-6,8-DIOL $$ .beta.-Apo-8-carotenal $$ .b
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Óleo Essencial P. Guajava - QGD

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15/5/2013 10:13:30

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OCH (CH 2 ) 7Me

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MeO C(O) (CH 2)3 CH CH CH 2CH CH CH2CH CH CH 2CH CH(CH 2 )4Me

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H2C CH CMe(OH) CH 2 CH 2 CH CMe CH 2CH 2CH CMe 2

H2C CH CMe(OH) CH 2 CH 2 CH CMe CH 2CH 2CH CMe 2

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