Table 4.
Peak No | RT (min) | Family | Key | Tentative Identification | Formula | Match Factor | Main Fragments (m/z) b | Reference |
---|---|---|---|---|---|---|---|---|
1 | 8.35 | Monoterpenoid | C10#1 | Borneol isomer | C10H18O | 75 | 121, 110, 95 | |
2 | 8.67 | Monoterpenoid | C10#2 | Anethole | C10H12O | 95 | 148, 133, 177, 105 | |
3 | 9.90 | Monoterpenoid | C10#3 | Cymenol isomer | C10H14O | 80 | 135, 115, 91 | [40] |
4 | 10.01 | Monoterpenoid | C10#4 | Thymol a | C10H14O | 93 | 150, 135, 91 | [63] |
5 | 10.67 | Monoterpene | C10#5 | Camphene | C10H16 | 73 | 136, 121, 91 | |
6 | 10.78 | Monoterpenoid | C10#6 | Eugenol | C10H12O2 | 96 | 164, 149, 131, 103 | [64] |
7 | 11.37 | Monoterpenoid | C10#7 | Methyleugenol | C11H14O2 | 71 | 161, 119, 105 | |
8 | 11.95 | Sesquiterpenoid | C15#1 | Nerolidol | C15H26O | 72 | 161, 133, 119, 105, 91 | [64] |
9 | 12.59 | Sesquiterpene | C15#2 | Farnesene | C15H24 | 68 | 133, 120, 93, 69 | |
10 | 13.14 | Apocarotenoid | C11#1 | Dihydroactinidiolide | C11H16O2 | 80 | 152, 137, 111 | |
11 | 13.33 | Sesquiterpenoid | C15#3 | Caryophyllene oxide | C15H24O | 77 | 161, 136, 121, 107, 93 | [3,40,64,65] |
12 | 13.71 | Apocarotenoid | C13#1 | 4-Oxo-β-isodamascol | C13H20O2 | 75 | 121, 105, 91, 93, 79 | [3] |
13 | 13.99 | Apocarotenoid | C13#2 | 3-Hydroxy-β-damascone | C13H20O2 | 79 | 208, 193, 175 | [3,64] |
14 | 14.38 | Apocarotenoid | C13#3 | Cyclohexenone derivative | C13H20O2 | 73 | 161, 136, 121, 105 | |
15 | 14.53 | Sesquiterpene | C15#4 | γ-Elemene | C15H24 | 75 | 201, 132, 119, 83 | [65] |
16 | 14.62 | Sesquiterpenoid | C15#5 | (-)-Globulol | C15H26O | 81 | 204, 189, 135, 109 | |
17 | 15.86 | Apocarotenoid | C11#2 | Isololiolide | C11H16O3 | 76 | 195, 152, 121 | |
18 | 15.99 | Meroterpenoid | C12#1 | Chromene derivative | C12H20 | 71 | 212, 197, 155 | |
19 | 16.43 | Diterpenoid | C20#1 | Hexahydrofarnesyl acetone | C18H36O | 79 | 124, 109, 95 | [3,66] |
20 | 17.17 | Diterpenoid | C20#2 | Geranylgeraniol | C20H34O | 80 | 135, 121, 107, 81 | [3] |
21 | 17.49 | Diterpenoid | C20#3 | Isophytol | C20H40O | 85 | 123, 95, 81, 71 | [3] |
22 | 19.07 | Diterpenoid | C20#4 | Phytol a | C20H40O | 86 | 123, 95, 81, 71 | |
[3,23,25,35] 23 | 24.73 | Triterpene | C30#1 | Squalene a | C30H50 | 90 | 410, 341, 136, 121, 109, 81 | [23,25,35] |
24 | 24.98 | Meroditerpenoid | C20#5 | Tocospiro A | C29H50O4 | 80 | 419, 402, 137 | |
25 | 25.14 | Meroditerpenoid | C20#6 | Tocospiro B | C29H50O4 | 79 | 419, 402, 137 | |
26 | 26.30 | Meroditerpenoid | C20#7 | γ-Tocopherol | C28H48O2 | 75 | 416, 191, 151 | [23,26,67] |
27 | 26.41 | Meroditerpenoid | C20#8 | β-Tocopherol | C28H48O2 | 76 | 416, 191, 151 | [23,26,67] |
28 | 26.92 | Meroditerpenoid | C20#9 | α-Tocopherol a | C29H50O2 | 94 | 430, 205, 165 | [23,26,35,67,68,69] |
29 | 26.96 | Meroditerpenoid | C20#10 | α-Tocopherolquinone | C29H50O3 | 72 | 221, 203, 178, 150 | |
30 | 27.69 | Triterpenoid | C30#2 | Stigmasterol | C28H48O | 73 | 400, 382, 315, 213 | [70] |
31 | 28.28 | Triterpenoid | C30#3 | β-Sitosterol | C29H50O | 86 | 414, 329, 255, 213 | [23,66,70] |
32 | 28.59 | Sesquiterpene | C15#6 | Germacrene D | C15H24 | 75 | 204, 189, 175 | |
33 | 28.68 | Triterpenoid | C30#4 | β-Amyrin | C30H50O | 88 | 218, 203, 189, 119 | [7,23,67] |
34 | 29.06 | Triterpenoid | C30#5 | α-Amyrin a | C30H50O | 81 | 218, 203, 189, 119 | [7,23,67] |
35 | 29.28 | Triterpenoid | C30#6 | β-Amyrin acetate | C32H52O2 | 90 | 218, 203, 189, 119 | |
36 | 29.67 | Triterpenoid | C30#7 | Lupenol acetate | C30H48O2 | 71 | 189, 161, 135, 121 | |
37 | 30.60 | Triterpenoid | C30#8 | Ursolic acid derivative I | C30H48O2 | 70 | 440, 273, 232, 135 | [6,7,8,23,71] |
38 | 31.19 | Triterpenoid | C30#9 | Ursolic acid derivative II | C30H48O2 | 75 | 203, 189, 175 | [[6,7,8,23,71] |
39 | 31.50 | Triterpenoid | C30#10 | Erythrodiol a | C30H50O2 | 87 | 234, 203, 119 | [7,30,72,73] |
40 | 32.08 | Triterpenoid | C30#11 | Uvaol a | C30H50O2 | 88 | 234, 203, 119 | [6,7,8,23,30,66,71,73,74] |
a Identification confirmed by reference standard. b Quantitative m/z ion is underlined.