International Journal of Phytomedicine and Phytotherapy
Peak # | Systemic name | Molecular formula | Mol. wt. | tR (min) | Conc. | Characteristic mass fragments, m/z (rel.% BP) | Area Sum (%) |
---|---|---|---|---|---|---|---|
1. | Methyl 3,3-dichloropropenoate | C4H4Cl2O2 | 154 | 6.104 | 0.092 | 123(99), 125(66), 60(20), 63(15), 127(14), 95(13), 154(99), 97(92), 156(77), 62(76) | 0.092 |
2. | Benzaldehyde | C7H6O | 106 | 8.132 | 0.092 | 106(99), 105(94), 77(92), 51(36), 50(18), 78(16), 52(98), 107(77), 74(63), 39(60) | 0.092 |
3. | 3, 3, 5, 5-Tetramethylcyclohexanol | C10H20O | 156 | 10.201 | 0.16 | 123(99), 41(44), 57(42), 81(29), 55(28), 56(26), 85(25), 29(20), 43(19), 39(18) | 0.16 |
4. | Benzyl Alcohol | C7H8O | 108 | 11.457 | 0.242 | 79(99), 108(89), 107(69), 77(54), 51(22), 91(18), 78(11), 50(10), 39(10), 80(95) | 0.242 |
5. | 1-Propene, 2, 3-dibromo- | C3H4Br2 | 198 | 12.987 | 0.107 | 119(99), 121(98), 39(90), 200(71), 198(37), 202(35), 40(30), 38(21), 37(13), 93(98) | 0.107 |
6. | l-(+)-Ascorbic acid 2,6-dihexadecanoate | C38H68O8 | 652 | 14.737 | 0.071 | 57(99), 73(91), 43(84), 60(74), 71(63), 55(57), 69(44), 41(43), 129(43), 85(41) | 0.071 |
7. | 2-Oxepanone | C6H10O2 | 114 | 15.122 | 0.109 | 42(99), 55(96), 41(49), 84(44), 56(30), 28(26), 27(22), 70(21), 39(20), 114 (20) | 0.109 |
8. | Palmitic anhydride | C32H62O3 | 494 | 15.612 | 0.1 | 98(99), 256(37), 55(36), 43(27), 57(27), 83(26), 73(25), 112(24), 84(23), 239(23) | 0.1 |
9. | Cyclopropane, 1, 1-dichloro-2-methyl-3-pentyl- | C9H16Cl2 | 194 | 16.419 | 0.086 | 110(99), 41(97), 43(96), 39(77), 56(74), 112(65), 55(60), 42(48), 69(36), 65(30) | 0.086 |
10. | Cyclopropane, 1,1-dichloro-2,2-dimethyl- | C5H8Cl2 | 138 | 18.954 | 0.089 | 103(99), 123(96), 41(63), 125(61), 87(59), 67(43), 39(34), 105(33), 42(25), 89(24) | 0.089 |
11. | 2-Hexanone, 6-(acetyloxy) | C8H14O3 | 158 | 19.297 | 0.14 | 43(99), 98(17), 56(10), 55(70), 41(60), 101(60), 58(50), 61(50), 83(50), 42(30) | 0.14 |
12. | Bis-(2,2,6,6-tetramethyl,-4-piperidyl) amide oxalic acid | C20H38N4O2 | 366 | 20.732 | 0.149 | 124(99), 98(66), 77(56), 105(56), 58(44), 42(39), 122(31), 41(21), 51(21), 141(17) | 0.149 |
13. | 2-Decenal, (E)- | C10H18O | 154 | 22.112 | 0.104 | 41(99), 43(99), 55(71), 70(55), 29(53), 39(48), 27(45), 57(43), 83(34), 69(30) | 0.104 |
14. | Benzeneacetic acid, 4-tetradecyl ester | C22H36O2 | 332 | 24.939 | 0.116 | 91(99), 57(59), 43(42), 41(37), 71(33), 55(30), 39(21), 85(20), 44(19), 196(17) | 0.116 |
15. | 5,5,10,10-Tetrachlorotricyclo[7.1.0.0(4,6)]decane | C10H12Cl4 | 272 | 25.683 | 0.066 | 109(99), 91(90), 111(73), 65(67), 39(65), 77(61), 127(53), 51(46), 79(38), 101(36) | 0.066 |
16. | 4-(3-Hydroxy-2,2,6-trimethyl-7-oxa-bicyclo[4.1.0]hept-1-yl)-but-3-en-2-one | C13H20O3 | 224 | 26.612 | 0.187 | 43(99), 123(97), 109(50), 41(19), 55(18), 124(17), 165(16), 101(14), 125(12), 83(11) | 0.187 |
17. | 1-Nonene, 2-ethyl-3-(methoxymethoxy) | C13H26O2 | 214 | 29.205 | 0.075 | 45(99), 129(36), 83(15),55(10), 41(73), 97(64), 69(63), 43(55), 70(49), 99(49) | 0.075 |
18. | 2-(2-Chloromethylene-1-hydroxycyclohexyl) propionic acid, methyl ester | C11H17ClO3 | 232 | 29.628 | 0.085 | 145(99), 109(75), 81(45), 88(44), 57(35), 147(35), 197(32), 79(19), 41(19), 91(19) | 0.085 |
19. | 1-Ethyl-1-(undec-10-enyloxy)-1-silacyclohexane | C18H36OSi | 296 | 30.614 | 0.072 | 115(99), 41(85), 55(61), 45(54), 29(43), 87(41), 43(39), 27(33), 39(27), 267(26) | 0.072 |
20. | 1-Methyl-1-(2-tridecyl)oxy-1-silacyclopentane | C18H38OSi | 298 | 30.911 | 0.131 | 143(99), 41(73), 43(69), 39(42), 55(39), 99(36), 45(27), 57(25), 42(21), 69(17) | 0.131 |
21. | 1-Pentene, 1,1,5-trichloro- | C5H7Cl3 | 172 | 31.971 | 0.068 | 65(99), 101(90), 136(47), 109(46), 138(31), 111(30), 39(29), 103(28), 73(18), 96(15) | 0.068 |
22. | 2-Oxa-7-thiatricyclo[4.4.0.0(3,8)]decan-4-ol, 4-methylbenzenesulfonate, stereoisomer (1-α, 3-α, 4-β, 6-α, 8-α)- | C15H18O4S2 | 326 | 33.222 | 0.074 | 91(99), 97(83), 154(68), 113(55), 41(55), 81(52), 65(46), 326(46), 119(38), 45(36) | 0.074 |
23. | Octahydrobenzo[b]pyran, 4a-acetoxy-5,5,8a-trimethyl- | C14H24O3 | 240 | 33.496 | 0.077 | 111(99), 124(85), 43(69), 69(49), 41(45), 180(44), 55(28), 97(23), 71(22), 96(22) | 0.077 |
24. | 1-Octyne, 3-(methoxymethoxy)- | C10H18O2 | 170 | 33.78 | 0.086 | 45(99), 26(71), 99(56), 84(15), 41(14), 67(10), 56(99), 55(97), 39(884), 43(82) | 0.086 |
25. | Spiro(1,3-dioxolane)-2,3′-(5′-androsten-16′-ol) | C21H32O3 | 332 | 33.974 | 0.091 | 99(99), 55(13), 100(10), 91(88), 79(59), 105(56), 41(51), 77(46), 86(43), 332(41) | 0.091 |
26. | Oleic Acid | C18H34O2 | 282 | 35.904 | 0.146 | 55(99), 41(60), 69(56), 57(47), 43(35), 73(32), 83(32), 29(25), 56(22), 60(19) | 0.146 |
27. | Hexanoic acid, 2-ethyl-, oxybis (2,1-ethanediyloxy-2,1-ethanediyl) ester | C24H46O7 | 446 | 36.478 | 0.267 | 171(99), 7(63), 127(45), 99(32), 87(30), 55(21), 73(21), 43(18), 114(17), 172(14) | 0.267 |
28. | E-9-Methyl-8-tridecen-2-ol, acetate | C16H30O2 | 254 | 36.586 | 0.037 | 43(99), 55(57), 97(31), 41(29), 109(17), 69(15), 71(14), 123(12), 112(11),57(11) | 0.037 |
29. | Cyclohexanol, 2-methyl-3-(1-methylethenyl)-, acetate, (1α,2α,3α)- | C12H20O2 | 196 | 38.058 | 0.065 | 43(99), 136(24), 93(18), 121(18), 41(17), 55(13), 107(12), 95(12), 81(12), 94(10) | 0.065 |
30. | Tert-Hexadecanethiol | C16H34S | 258 | 38.515 | 0.067 | 57(99), 69(76), 43(71), 71(68), 55(61), 83(57), 41(54), 85(47), 97(35), 70(28) | 0.067 |
31. | Methyl-2-methoxyoct-2-enoate | C10H18O3 | 186 | 39.112 | 0.082 | 43(99),41(47), 115(44), 55(38), 85(36), 45(34), 69(27), 109(25), 29(24), 42(21) | 0.082 |
32. | 7-(1-Hydroxy-cyclohexyl)-2,2-dimethyl-hept-5-en-3-one | C15H26O2 | 238 | 41.82 | 0.202 | 57(99), 85(44), 99(40), 81(35), 41(26), 55(21), 29(17), 83(14), 86(11), 43(10) | 0.202 |
33. | Tetradecanoic acid | C14H28O2 | 228 | 43.242 | 0.046 | 73(99), 60(84), 43(68), 57(60), 41(46), 55(45), 129(37), 71(33), 69(28), 85(24) | 0.046 |
34. | Phen-1,4-diol, 2,3-dimethyl-5-trifluoromethyl- | C9H9F3O2 | 206 | 43.987 | 0.105 | 149(99),83(29),43(27),151(26),57(24), 55(23), 69(16), 71(15), 77(14), 41(13) | 0.105 |
35. | Estra-1,3,5(10)-trien-17β-ol | C18H24O | 256 | 44.366 | 0.071 | 43(99), 57(99), 55(71), 41(55), 73(47), 71(44), 45(39), 85(35), 83(35), 256(34) | 0.071 |
36. | 2-Pentadecanone, 6,10,14-trimethyl- | C18H36O | 268 | 44.936 | 0.077 | 43(99), 58(89), 71(45), 57(42), 59(40), 41(37), 55(34), 69(24), 85(22), 95(20) | 0.077 |
37. | Pentadecanoic acid | C15H30O2 | 242 | 45.054 | 0.061 | 73(99), 60(87), 43(86), 57(81), 41(73), 55(64), 71(49), 129(45), 69(40), 29(36) | 0.061 |
38. | Pentadecanoic acid | C15H30O2 | 242 | 45.987 | 0.091 | 73(99), 60(87), 43(86), 57(81), 41(73), 55(64), 71(49), 129(45), 69(40), 29(36) | 0.091 |
39. | 1-Hexadecanol, 2-methyl- | C17H36O | 256 | 46.126 | 0.073 | 57(99), 43(88), 55(67), 41(63), 69(58), 56(57), 71(51), 83(46), 97(38), 70(34) | 0.073 |
40. | 2-Butenal, 2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- | C14H22O | 206 | 46.683 | 0.077 | 107(99), 123(96), 41(72), 206(72), 95(70), 81(64), 55(64), 191(63), 121(59), 135(59) | 0.077 |
41. | Z-(13,14-Epoxy)tetradec-11-en-1-ol acetate | C16H28O3 | 268 | 47.671 | 0.077 | 43(99), 97(48), 69(48), 55(44), 41(36), 82(30), 67(29), 81(29), 84(27), 83(27) | 0.077 |
42. | n-Hexadecanoic acid | C16H32O2 | 256 | 53.368 | 0.496 | 60(99),73(98), 57(84), 43(81), 55(76), 41(57), 129(43), 71(37), 69(35), 83(26) | 0.496 |
43. | cis-13-Octadecenoic acid | C18H34O2 | 282 | 62.93 | 0.436 | 55(99), 69(54), 41(46), 83(43), 97(39), 84(24), 43(24), 56(24), 67(22), 96(21) | 0.436 |
44. | 6-Octadecenoic acid | C18H34O2 | 282 | 63.897 | 0.244 | 55(99), 97(85), 83(82), 69(75), 84(64), 96(62), 81(61), 57(54), 264(49), 67(48) | 0.244 |
45. | 7-Methyl-Z-tetradecen-1-ol acetate | C17H32O2 | 268 | 69.535 | 0.076 | 43(99), 55(66), 41(50), 81(26), 57(24), 85(23), 67(22), 69(22), 99(21), 83(20) | 0.076 |
46. | Z-5-Methyl-6-heneicosen-11-one | C22H42O | 322 | 70.771 | 0.085 | 43(99), 55(87), 57(81), 41(75), 71(57), 83(47), 169(44), 85(43), 81(40), 69(40) | 0.085 |
47. | Hexadecanoic acid, 3-[(trimethylsilyl) oxy]propyl ester | C22H46O3Si | 386 | 72.529 | 0.058 | 57(99), 43(86), 239(76), 73(68), 71(60), 130(52), 55(50), 41(48), 75(46), 85(38) | 0.058 |
48. | Heptacosane | C27H56 | 380 | 72.942 | 0.051 | 57(99), 43(79), 71(62), 85(41), 55(28), 41(27), 69(17), 99(14), 56(13), 29(13) | 0.051 |
49. | 1,2-Benzenedicarboxylic acid, diisooctyl ester | C24H38O4 | 390 | 73.918 | 0.06 | 149(99), 167(35), 57(34), 70(26), 41(22), 71(22), 55(21), 43(20), 150(10), 83(10) | 0.06 |
50. | Di-n-octyl phthalate | C24H38O4 | 390 | 74.505 | 0.05 | 149(99), 167(54), 57(44), 71(35), 70(28), 43(27), 279(21), 41(21), 113(20), 55(16) | 0.05 |
51. | 1,3,2-Dioxaborolane, 4,4′-(1,4-butanediyl)bis[2-ethyl- | C12H24B2O4 | 254 | 79.581 | 0.049 | 99(99), 98(32), 43(27), 41(17), 57(17), 83(13), 138(12), 29(11), 42(10), 55(10) | 0.049 |