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Table 1
List of identified compounds and their relative proportions in Neau ambers. Target compounds were identified based on m/z int and m/z identification. Areas were integrated using the m/z int, and the area on the total ion chromatogram was estimated using the mass spectra factor (MSF). Non-detected compounds are denoted “n.d.”.
No. | Compound name | m/z identification | m/z int | MSF | Form A | Form B |
---|---|---|---|---|---|---|
1 | Naphthalene-1,2,3,4,4a,7,8,8a-octahydro-1,4a,6-trimethyl (IVe) | 81, 107, 163, 178 | 163 | 9 | 1.8 | 1.3 |
2 | Naphthalene-1,2,3,4,4a,7,8,8a-octahydro-1,4a,6-trimethyl (IVf) | 95, 163, 178 | 163 | 17 | 2.4 | 2.4 |
3 | Naphthalene-1,2,3,4,4a,5,8,8a-octahydro-1,4a,6-trimethyl (Ve) | 81, 107, 163, 178 | 163 | 14 | 0.6 | 0.6 |
4 | Dimethyltetralin | 145, 160 | 145 | 4 | 0.7 | 1.3 |
5 | Naphthalene-1,2,3,4,4a,5,8,8a-octahydro-1,4a,6-trimethyl (Vf) | 95, 163, 178 | 163 | 13 | 0.3 | 0.3 |
6 | Trimethyltetralin | 159, 174 | 159 | 4 | 0.2 | 0.3 |
7 | Naphthalene-1,2,3,4,4a,7,8,8a-octahydro-1,1,4a,6-tetramethyl (IVc) | 81, 95, 107, 177, 192 | 177 | 12 | 0.6 | 0.4 |
8 | Naphthalene-1,2,3,4,4a,5,8,8a-octahydro-1,1,4a,6-tetramethyl (Vc) | 95, 121, 177, 192 | 177 | 11 | 0.2 | 0.2 |
9 | Trimethylindene | 143, 158 | 158 | 8 | 0.5 | 1.7 |
10 | Naphthalene-1,2,3,4,4a,7,8,8a-octahydro-1,4a,5,6-tetramethyl (VIe) | 95, 121, 177, 192 | 177 | 9 | 2.5 | 2.0 |
11 | Dimethylnaphthalene isomer | 141, 156 | 6 | 1.1 | 3.1 | |
12 | Naphthalene-1,2,3,4,4a,5,8,8a-octahydro-5-methylene-1,4a,6-trimethyl (VIIe) | 108, 175, 190 | 175 | 12 | 4.6 | 3.2 |
13 | Dimethylnaphthalene isomer | 141, 156 | 141 | 6 | 0.3 | 0.9 |
14 | Naphthalene-1,2,3,4,4a,7,8,8a-octahydro-1,4a,5,6-tetramethyl (VIf) | 95, 121, 177, 192 | 177 | 11 | 0.9 | 1.0 |
15 | Naphthalene-1,2,3,4,4a,5,8,8a-octahydro-5-methylene-1,4a,6-trimethyl (VIIf) | 93, 175, 190 | 175 | 13 | 1.5 | 1.5 |
16 | Ionene | 159, 174 | 159 | 4 | n.d. | 3.6 |
17 | Naphthalene-1,2,3,4,4a,7,8,8a-octahydro-1,1,4a,5,6-pentamethyl (VIc) | 95, 121, 191, 206 | 191 | 16 | 1.1 | 0.9 |
18 | Methylionene | 173, 188 | 173 | 4 | 0.6 | 2.1 |
19 | Naphthalene-1,2,3,4,4a,5,8,8a-octahydro-1,1,4a,6-tetramethyl-5-methylene (VIIc) | 105, 119, 161, 204 | 204 | 15 | n.d. | 0.8 |
20 | Timethyldihydronaphthalene isomer | 142, 157, 172 | 157 | 4.6 | n.d. | 0.3 |
21 | Naphthalene-1,2,3,4,4a,7,8,8a-octahydro-1-methoxymethyl-1,4a,6-trimethyl methyl ester (IVd) | 95, 107, 177, 222 | 177 | 17 | 0.4 | n.d. |
22 | Trimethylnaphthalene isomer | 155, 170 | 155 | 5 | 0.1 | 0.3 |
23 | Timethyldihydronaphthalene isomer | 142, 157, 172 | 157 | 4.6 | 0.5 | 2.0 |
24 | Timethyldihydronaphthalene isomer | 142, 157, 172 | 157 | 4.6 | 0.2 | 0.6 |
25 | Trimethylnaphthalene isomer | 155, 170 | 155 | 5 | 0.1 | 0.4 |
26 | Trimethylnaphthalene isomer | 155, 170 | 155 | 5 | 0.1 | 0.5 |
27 | Trimethylnaphthalene isomer | 155, 170 | 155 | 5 | 0.1 | 0.4 |
28 | Naphthalene-1-carboxylic acid-1,2,3,4,4a,7,8,8a-octahydro-1,4a,6-trimethyl methyl ester (IVa) | 161, 177, 236 | 177 | 19 | 5.3 | n.d. |
29 | Trimethylnaphthalene | 155, 170 | 155 | 5 | 2.6 | 9.6 |
30 | Naphthalene-1-carboxylic acid-1,2,3,4,4a,5,8,8a-octahydro-1,4a,6-trimethyl methyl ester (Va) | 176, 121, 161 | 161 | 23 | 2.4 | 0.2 |
31 | Naphthalene-1,2,3,4,4a,7,8,8a-octahydro-1-methanol-1,4a,6-trimethyl methyl ester (IVb) | 177, 95, 208 | 177 | 10 | 0.2 | 0.2 |
32 | Tetramethylnaphthalene isomer | 169, 184 | 169 | 5 | 0.6 | 1.9 |
33 | Naphthalene-1,2,3,4,4a,5,8,8a-octahydro-1-methanol-1,4a,6-trimethyl methyl ester (Vb) | 55, 109, 177, 208 | 177 | 40 | 0.3 | n.d. |
34 | Naphthalene-1,2,3,4,4a,7,8,8a-octahydro-1-methoxymethyl-1,4a,5,6-tetramethyl methyl ester (VId) | 109, 121, 189, 236 | 121 | 18 | 0.5 | n.d. |
35 | Tetramethylnaphthalene isomer | 169, 184 | 169 | 5 | 0.1 | 0.5 |
36 | Naphthalene-1,2,3,4,4a,5,8,8a-octahydro-1-methoxymethyl-1,4a,6-trimethyl-5-methylene (VIId) | 132, 187, 234 | 132 | 15 | 1.3 | n.d. |
37 | Tetramethylnaphthalene isomer | 169, 184 | 169 | 5 | 0.1 | 0.4 |
38 | Tetramethylnaphthalene isomer | 169, 184 | 169 | 5 | 0.3 | 0.9 |
39 | Naphthalene-1-carboxylic acid-1,2,3,4,4a,7,8,8a-octahydro-1,4a,5,6-tetramethyl methyl ester (VIa) | 175, 191, 235, 250 | 175 | 11 | 13.9 | 1.1 |
40 | Naphthalene-1-carboxylic acid-1,2,3,4,4a,5,8,8a-octahydro-1,4a,6-trimethyl-5-methylene methyl ester (VIIa) | 173, 133, 188, 248 | 173 | 9 | 20.4 | 0.9 |
41 | Amberene | 159, 215, 230 | 159 | 3.5 | n.d. | 0.2 |
42 | Naphthalene-1,2,3,4,4a,7,8,8a-octahydro-1-methanol-1,4a,5,6-tetramethyl methyl ester (VIb) | 95, 191, 207, 222 | 191 | 27 | 0.9 | 1.3 |
43 | Naphthalene-1,2,3,4,4a,5,8,8a-octahydro-1-methanol-1,4a,6-trimethyl-5-methylene (VIIb) | 91, 132, 187, 220 | 132 | 20 | 1.5 | 1.4 |
44 | 16,17,19-Trisnorabieta-8,11,13-triene | 131, 157, 213 | 131 | 7 | 3.5 | 4.8 |
45 | 16,17,18-Trisnorabieta-8,11,13-triene | 131, 157, 213 | 131 | 7 | 1.9 | 3.2 |
46 | Bisnorsimonellite isomer | 179, 209, 224 | 209 | 4.9 | 0.6 | 1.9 |
47 | 16,17-Bisnordehydroabietane | 131, 145, 157, 227, 242 | 227 | 16 | 1.1 | 1.3 |
48 | 7-Oxo-16,17,18-trisnorabieta-8,11,13-triene | 145, 227, 242 | 145 | 6 | 0.3 | 0.4 |
49 | Bisnorsimonellite isomer | 179, 209, 224 | 209 | 4.9 | 0.3 | 0.8 |
50 | 19-Norabietatriene | 159, 241, 256 | 159 | 7 | n.d. | 0.8 |
51 | 18-Norabietatriene | 159, 241, 256 | 159 | 7 | 0.3 | 0.8 |
52 | Dimethylphenanthrene | 206, 191 | 206 | 6 | 5.3 | 15.1 |
53 | Trimethylphenanthrene isomer | 220, 205 | 220 | 7 | 0.2 | 0.7 |
54 | Trimethylphenanthrene isomer | 220, 205 | 220 | 7 | 0.4 | 1.8 |
55 | Trimethylphenanthrene isomer | 220, 205 | 220 | 7 | 0.5 | 1.4 |
56 | Trimethylphenanthrene isomer | 220, 205 | 220 | 7 | 0.2 | 1.3 |
57 | Trimethylphenanthrene isomer | 220, 205 | 220 | 7 | 0.1 | 0.5 |
58 | Methyl 16,17-dinorcallitrisate | 211, 271, 286 | 211 | 5 | 2.0 | 0.5 |
59 | Methyl isopimarate | 241, 257, 274, 301, 316 | 241 | 9 | 0.4 | n.d. |
60 | Methyl 17-norcallitrisate | 225, 285, 300 | 225 | 5 | 0.1 | n.d. |
61 | Methyl 16,17-dinordehydroabietate | 211, 271, 286 | 211 | 5 | 6.3 | 2.1 |
62 | Methyl pimara-8,15-dien-18-oate | 241, 257, 287, 316 | 241 | 15 | 0.4 | n.d. |
63 | Methyl 8-abieten-18-oate | 243, 259, 303, 318 | 243 | 13 | 4.2 | 2.9 |
64 | Methyl 17-nordehydroabietate | 225, 285, 300 | 225 | 5 | 0.3 | 0.1 |
65 | Methyl callitrisate | 239, 299, 314 | 239 | 4 | n.d. | 2.3 |
66 | Methyl dehydroabietate | 239, 299, 314 | 239 | 4 | 0.1 | 6.3 |
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