| RI | Shimen | DHS | XTBG | |||
---|---|---|---|---|---|---|---|
 |  | Occ | n = 13 | Occ | n = 15 | Occ | n = 4 |
Fatty acid derivatives | Â | Â | Â | Â | Â | Â | |
1005 | (E)-3-hexenyl acetate | 9 | 0.77 ± 1.84 | 5 | 1.47 ± 3.92 | 4 | 1.26 ± 1.2 |
1102 | Nonanal | 6 | 0.38 ± 0.57 | 1 | 0 ± 0.01 | 0 |  |
1203 | Decanal | 3 | 0.04 ± 0.1 | 1 | 0 ± 0.02 | 0 |  |
 | Sum |  | 1.19 |  | 1.47 |  | 1.26 |
Monoterpenes | Â | Â | Â | Â | Â | Â | |
934 | α-Pinene | 3 | 0.02 ± 0.05 | 1 | 0 ± 0.02 | 1 | 0.01 ± 0.01 |
973 | Sabinene | 2 | 0 ± 0.01 | 1 | 0 ± 0.02 | 0 |  |
979 | β-Pinene | 0 |  | 1 | 0 ± 0 | 0 |  |
984 | 6-Methyl-5-hepten-2-one | 7 | 0.16 ± 0.2 | 7 | 0.17 ± 0.31 | 2 | 0.39 ± 0.74 |
991 | β- Myrcene | 3 | 0.01 ± 0.03 | 5 | 0.18 ± 0.31 | 0 |  |
1030 | Limonene | 7 | 0.73 ± 1.2 | 6 | 0.18 ± 0.42 | 2 | 0.47 ± 0.84 |
1048 | (Z)-β-Ocimene | 2 | 0.03 ± 0.07 | 0 |  | 0 |  |
1101 | Linalool | 4 | 0.03 ± 0.09 | 2 | 0.7 ± 2.61 | 0 |  |
 | Sum |  | 0.98 |  | 1.23 |  | 0.87 |
Sesquiterpenes | Â | Â | Â | Â | Â | Â | |
1343 | δ-Elemene | 10 | 0.92 ± 1.46 | 15 | 1.78 ± 1.61 | 4 | 1.25 ± 0.06 |
1355 | α-Cubebene | 10 | 1.16 ± 1.7 | 8 | 0.92 ± 2.4 | 4 | 5.4 ± 0.91 |
1365 | α-Ylangene | 9 | 1.11 ± 1.06 | 8 | 0.66 ± 1.3 | 1 | 0.01 ± 0.02 |
1375 | Cyclosativene | 11 | 1.49 ± 1.99 | 6 | 1.21 ± 3.08 | 4 | 0.37 ± 0.1 |
1382 | Isoledene | 9 | 0.38 ± 0.54 | 7 | 2.79 ± 8.58 | 0 |  |
1384 | α-Copaene | 11 | 9.83 ± 14.8 | 15 | 7.11 ± 16.88 | 4 | 54.21 ± 7.5 |
1392 | β-Bourbonene | 11 | 1 ± 0.85 | 9 | 0.36 ± 0.49 | 4 | 0.05 ± 0.01 |
1387 | β-Cubebene | 8 | 0.92 ± 1.12 | 5 | 0.68 ± 1.52 | 4 | 2.63 ± 0.93 |
1389 | β-Elemene | 6 | 0.52 ± 0.8 | 11 | 1.5 ± 1.67 | 3 | 1.34 ± 2.63 |
1410 | (E)-α- bergamotene | 3 | 0.3 ± 0.71 | 1 | 0.1 ± 0.38 | 0 |  |
1425 | α-Cedrene | 11 | 0.13 ± 0.13 | 6 | 0.18 ± 0.32 | 0 |  |
1427 | α-Gurjunene | 4 | 0.1 ± 0.2 | 7 | 0.25 ± 0.91 | 3 | 0.03 ± 0.02 |
1429 | cis-Thujopsene | 10 | 18.32 ± 16.46 | 5 | 15.45 ± 25.21 | 0 |  |
1430 | (E)-β-caryophyllene | 13 | 21.47 ± 8.68 | 11 | 27.16 ± 21.18 | 4 | 14.15 ± 4.05 |
1435 | β-Copaene | 11 | 1.21 ± 1.31 | 11 | 2.97 ± 2.27 | 4 | 2.21 ± 0.84 |
1440 | (Z)- α-bergamotene | 2 | 0.02 ± 0.04 | 2 | 0.01 ± 0.02 | 0 |  |
1446 | (Z)-β-farnesene | 0 |  | 4 | 0.33 ± 0.7 | 0 |  |
1454 | Alloaromadendrene | 5 | 0.3 ± 0.43 | 9 | 0.91 ± 0.82 | 3 | 0.51 ± 0.41 |
1457 | (E)-β-farnesene | 13 | 6.74 ± 3.65 | 13 | 4.87 ± 4.57 | 4 | 1.26 ± 1.35 |
1463 | α-Humulene | 8 | 2.73 ± 2.99 | 11 | 4.71 ± 3.62 | 3 | 1.48 ± 1.02 |
1482 | γ-Muurolene | 13 | 1.55 ± 0.56 | 12 | 3.79 ± 5.64 | 0 |  |
1488 | Germacrene D | 11 | 6.55 ± 6.42 | 12 | 8.92 ± 8.18 | 4 | 5.33 ± 2.12 |
1494 | α-Selinene | 5 | 0.11 ± 0.19 | 1 | 0.28 ± 1.09 | 1 | 0.09 ± 0.18 |
1503 | α-Bulnesene | 6 | 0.15 ± 0.26 | 10 | 1.23 ± 1.83 | 0 |  |
1505 | α-Muurolene | 13 | 5.16 ± 4.5 | 10 | 2.67 ± 2.64 | 4 | 1.99 ± 0.44 |
1510 | β-bisabolene | 4 | 0.72 ± 1.66 | 2 | 0.11 ± 0.39 | 0 |  |
1520 | γ-cadinene | 10 | 0.54 ± 0.72 | 15 | 1.49 ± 2.14 | 4 | 0.03 ± 0.02 |
1528 | δ-Cadinene | 10 | 3.19 ± 3.82 | 11 | 1.99 ± 1.47 | 3 | 2.48 ± 1.78 |
 | Sum |  | 86.62 |  | 94.43 |  | 94.82 |
Unknown compounds | Â | Â | Â | Â | Â | Â | |
1318 | Unknown1 | 6 | 0.48 ± 0.98 | 2 | 0.04 ± 0.11 | 0 |  |
1359 | Unknown2 | 4 | 0.1 ± 0.29 | 0 |  | 0 |  |
1378 | Unknown3 | 5 | 0.36 ± 0.9 | 4 | 0.1 ± 0.19 | 0 |  |
1395 | Unknown4 | 10 | 0.83 ± 0.68 | 9 | 0.45 ± 0.87 | 1 | 0.01 ± 0.02 |
1451 | Unknown5 | 10 | 1.59 ± 1.36 | 2 | 0.31 ± 1.17 | 0 |  |
1465 | Unknown6 | 13 | 7.11 ± 3.52 | 13 | 1.86 ± 1.49 | 4 | 3.04 ± 0.23 |
1480 | Unknown7 | 10 | 0.73 ± 1.13 | 7 | 0.11 ± 0.2 | 2 | 0.01 ± 0.01 |
 | Sum |  | 11.2 |  | 2.87 |  | 3.06 |
Main fragments (m/z) for unknown compounds | |||||||
Unknown1 | 121, 93, 90, 91, 80, 105, 75, 133, 60, 107 | ||||||
Unknown2 | 189, 147, 40, 133, 38, 133 | ||||||
Unknown3 | 161, 105, 55, 121, 45, 91 | ||||||
Unknown4 | 119, 93, 90, 91 | ||||||
Unknown5 | 162, 147, 70, 105, 50, 91/ | ||||||
Unknown6 | 93, 91, 60, 105, 40, 79 | ||||||
Unknown7 | 69, 93, 95, 105, 85, 91 |