分类
Type |
(min) | [M+H]+ | | 碎片离子
Fragment ion | 误差
Error
(10-3) | 分子式
Molecular
formula | 化合物
Chemical compound | 来源
Resources | 实测值
Measured value | 理论值
Theoretical value | | 萜类 Terpenes | | 1 | 17.68 | 514.2930 | 514.2929 | 497.2902,
479.2794, 498.2937 | 0.1 | C30H42O7 | 灵芝酸A
Ganoderenic acid A | DI | | 2 | 18.78 | 530.2886 | 530.2867 | 473.2543,
513.2828, 497.2901 | 1.9 | C30H42O8 | 灵芝酸C6
Ganoderenic acid C6 | DI | | 3 | 21.94 | 570.2838 | 570.2829 | 515.3002 | 0.9 | C32H42O9 | 灵芝酸F
Ganoderenic acid F | EA | | 4 | 19.33 | 572.2985 | 572.2984 | 499.3062,
481.2953 | 0.1 | C32H44O9 | 灵芝酸H
Ganoderenic acid H | DI | | 5 | 17.36 | 516.2727 | 516.2723 | 444.2829,
443.2800, 425.2687 | 0.4 | C29H40O8 | 赤芝酸E
Lucidenic acid E | DI | | 6 | 40.12 | 408.3027 | 408.3025 | 393.3145,
224.1300 | 0.2 | C28H40O2 | 2,7,8-三甲基-2-((3E,7E)-4,8,12-三甲基十三碳-3,7,11-
三烯-1-基)-2H-苯并吡喃
2,7,8-trimethyl-2-((3E,7E)-4,8,12-trimethyltrideca-3,7,11-
trien-1-yl)-2H-chromen-6-ol | PE | | 7 | 20.48 | 496.2827 | 496.2825 | 479.2795 | 0.2 | C30H40O6 | (2R,4aS,6aR,12bR,14aS)-9-甲酰基-10,11-二羟基-2,4a,6a,
12b,14a-五甲基-8氧代-1,2,3,4,4a,5,6,6a,6b,7,8,12b,13,
14,14a,14b-十六氢苉-2-羧酸甲酯
Methyl (2R,4aS,6aR,12bR,14aS)-9-formyl-10,11-dihydroxy-
2,4a,6a,12b,14a-pentamethyl-8-oxo-1,2,3,4,4a,5,6,6a,6b,7,
8,12b,13,14,14a,14b-hexadecahydropicene-2-carboxylate | EA | | 8 | 29.18 | 519.3327 | 519.3305 | 467.3222,
460.3157,
459.3097 | 2.2 | C33H45NO4
| (4aS,6aR,6bS,8aR,12aS)-11-氰基-2,2,6a,6b,9,9,12a-
七甲基-10,14-二氧代-1,3,4,5,6,6a,6b,7,8,8a,9,10,12a,14,
14a,14b-十六氢苉-4a(2H)-羧酸乙酯
Ethyl (4aS,6aR,6bS,8aR,12aS)-11-cyano-2,2,6a,6b,9,9,12a-
heptamethyl-10,14-dioxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,12a,14,
14a,14b-hexadecahydropicene-4a(2H)-carboxylate | ML, EL | | 9 | 46.12 | 456.3236 | 456.3232 | 330.3006,
319.3042,
318.3010 | 0.4 | C29H44O4 | (4aR,5R,6aS,6bR,8aS,9R,12aS,14bS)-5-羟基-2,2,6a,6b,9,12a-
六甲基-10-氧代-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,
12b,13,14b-二十氢苉-4a-羧酸
(4aR,5R,6aS,6bR,8aS,9R,12aS,14bS)-5-hydroxy-2,2,6a,6b,9,
12a-hexamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,
12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid | ML | | 10 | 19.40 | 572.2988 | 572.2986 | 513.2844,
481.2950,
463.2846 | 0.2 | C32H44O9 | (Z)-6-((3S,5R,7S,10S,12S,13R,14R,17R)-12-乙酰氧基--3,7-二羟基-
4,4,10,13,14-五甲基-11,15-二氧代-2,3,4,5,6,7,10,11,12,13,14,15,
16,17-十四氢-1H-环戊烯并[a]菲-17-基)-2-甲基-4-氧代庚-5-烯酸
(Z)-6-((3S,5R,7S,10S,12S,13R,14R,17R)-12-acetoxy-3,7-dihydroxy-
4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,4,5,6,7,10,11,12,13,14,
15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-
2-methyl-4-oxohept-5-enoic acid | EA, AE, EL | | 11 | 26.68 | 498.2989 | 498.2982 | 423.2813,
397.2463,
365.2214 | 0.7 | C30H42O6 | (3E,5E)-(1aR,1bS,4aR,7aS,7bR,8S,9aS)-4a,7b-二羟基-3-
(羟甲基)-1,1,6,8-四甲基-5-氧代-1a,1b,4,4a,5,7a,7b,8,9,9a-
十氢-1H-环丙[3,4]苯并[1,2-e]甘菊环-9a-基十碳-3,5-二烯酸酯
(3E,5E)-(1aR,1bS,4aR,7aS,7bR,8S,9aS)-4a,7b-dihydroxy-3-
(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-
decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl deca-3,5-dienoate | AE | | 生物碱类Alkaloids | | 12 | 16.67 | 197.1535 | 197.1526 | 171.1470 | 0.9 | C10H19N3O | 5-氨基-1-(庚烷-2-基)-1,2-二氢-3H-吡唑-3-酮
5-amino-1-(heptan-2-yl)-1,2-dihydro-3H-pyrazol-3-one | EL | | 13 | 26.02 | 287.2467 | 287.2461 | 124.0851,
118.0875, 114.0911 | 0.6 | C16H33NO3 | (2S,3S,4S,5S)-2-(羟甲基)-5-十一基吡咯烷-3,4-二醇
(2S,3S,4S,5S)-2-(hydroxymethyl)-5-undecylpyrrolidine-3,4-diol | EL | | 14 | 8.43 | 169.1219 | 169.1215 | 152.1188 | 0.4 | C8H15N3O | 4-氨基-3-戊基-1H-吡唑-5-醇
4-amino-3-pentyl-1H-pyrazol-5-ol | DI | | 15 | 31.94 | 521.3483 | 521.3461 | 498.3794,
480.3081 | 2.2 | C33H47NO4 | (4R,4aS,6R,7R,7aR,12bS)-6-((S)-4-环己基-2-羟基丁烷-2-基)-3-
(环丙基甲基)-7-甲氧基-1,2,3,4,5,6,7,7a-八氢-4a,7-乙桥-
4,12-甲桥苯并呋喃[3,2-e]异喹啉-9-醇
(4R,4aS,6R,7R,7aR,12bS)-6-((S)-4-cyclohexyl-2-hydroxybutan-2-yl)-
3-(cyclopropylmethyl)-7-methoxy-1,2,3,4,5,6,7,7a-octahydro-4a,7-
ethano-4,12-methanobenzofuro[3,2-e]isoquinolin-9-ol | ML | | 酰胺类Amides | | 16 | 38.40 | 281.2731 | 281.2719 | 265.2542 | 1.2 | C18H35NO | 油酸酰胺
Oleamide | AE | | 17 | 35.37 | 279.2565 | 279.2562 | 263.2380,
245.2265 | 0.3 | C18H33NO | 亚油酰胺
(9Z,12Z)-octadeca-9,12-dienamide | EL | | 18 | 34.85 | 343.3093 | 343.3087 | 199.1796,
194.1154, 178.1249 | 0.6 | C20H41NO3 | N-((2S,3R)-1,3-二羟基十八烷-2-基)乙酰胺
N-((2S,3R)-1,3-dihydroxyoctadecan-2-yl)acetamide | EL | | 19 | 35.94 | 369.3244 | 369.3241 | 342.3002,
280.2392, 279.2337 | 0.3 | C22H43NO3 | N-((4S,5R,E)-1,5-二羟基二十碳-6-烯-4-基)乙酰胺
N-((4S,5R,E)-1,5-dihydroxyicos-6-en-4-yl)acetamide | EL | | 20 | 39.43 | 371.2403 | 371.2400 | 354.3362,
282.2781, 178.1221 | 0.3 | C22H45NO3 | N-((4S,5R)-1,5-二羟基二十烷-4-基)乙酰胺
N-((4S,5R)-1,5-dihydroxyicosan-4-yl)acetamide | EL | | 21 | 50.49 | 392.3086 | 392.3039 | 268.1835,
253.1600 | 4.7 | C23H40N2O3 | (2R,4S,5S)-5-氨基-N-丁基-4-羟基-9-(3-(羟甲基)苯基)-
2,7,7-三甲基壬酰胺
(2R,4S,5S)-5-amino-N-butyl-4-hydroxy-9-(3-(hydroxymethyl)
phenyl)-2,7,7-trimethylnonanamide | ML | | 22 | 33.37 | 473.3707 | 473.3684 | 458.3467,
341.2063 | 2.3 | C27H47N5O2 | (R)-2-((2R,5S)-5-((R)-2-(4-(3-(二丁基氨基)丙-1-炔-1-基)-1H-
1,2,3-三唑-1-基)丙基)四氢呋喃-2-基)-N,N-二乙基丙酰胺
(R)-2-((2R,5S)-5-((R)-2-(4-(3-(dibutylamino)prop-1-yn-1-yl)-1H-1,2,3-
triazol-1-yl)propyl)tetrahydrofuran-2-yl)-N,N-diethylpropanamide | AE | | 酸类Acids | | 23 | 30.32 | 358.2671 | 358.2669 | 293.2095,
279.2316, 263.2316 | 0.2 | C20H38O5 | 前列腺素F0α
prostaglandin F0α | PE | | 24 | 31.94 | 294.2199 | 294.2195 | 278.2204,
277.2172, 118.0876 | 0.4 | C18H30O3 | 13-羟基十八碳-6,9,11-三烯酸
13-hydroxyoctadeca-6,9,11-trienoic acid | EA,DI | | 25 | 38.25 | 310.2517 | 310.2508 | 279.2329,
118.0877 | 0.9 | C19H34O3 | 14-羟基十九碳-10,12-二烯酸
14-hydroxynonadeca-10,12-dienoic acid | EA | | 26 | 12.93 | 242.0810 | 242.0791 | 198.0671,
172.0877 | 1.9 | C11H14O6 | 2-(3,4,5-三甲氧基苯氧基)乙酸
2-(3,4,5-trimethoxyphenoxy)acetic acid | DI | | 27 | 32.81 | 296.2354 | 296.2352 | 279.2324,
169.1199, 124.0890 | 0.2 | C18H32O3 | (9E,11Z)-13-羟基十八碳-9,11-二烯酸
(9E,11Z)-13-hydroxyoctadeca-9,11-dienoic acid | EA | | 28 | 27.21 | 338.2438 | 338.2419 | 311.2191,
293.2101, 281.2459 | 1.9 | C20H34O4 | (5Z,8Z,14E)-11,12-二羟基二十碳-5,8,14-三烯酸
(5Z,8Z,14E)-11,12-dihydroxyicosa-5,8,14-trienoic acid | EA | | 29 | 36.52 | 308.2357 | 308.2352 | 279.2328,
118.0874 | 0.5 | C19H32O3 | (S,9Z,11E)-13-甲氧基十八碳-6,9,11-三烯酸
(S,9Z,11E)-13-methoxyoctadeca-6,9,11-trienoic acid | EA,EL | | 30 | 39.02 | 310.2515 | 310.2508 | 279.2329,
124.0876, 118.0874 | 0.7 | C19H34O3 | (S,9Z,11E)-13-甲氧基十八碳-9,11-二烯酸
(S,9Z,11E)-13-methoxyoctadeca-9,11-dienoic acid | EL | | 31 | 40.47 | 324.2667 | 324.2665 | 279.2325,
124.0867 | 0.2 | C20H36O3 | (Z)-16-((2R,3S)-3-乙基环氧乙烷-2-基)十六烷-14-烯酸
(Z)-16-((2R,3S)-3-ethyloxiran-2-yl)hexadec-14-enoic acid | EL | | 酯类Esters | | 32 | 16.12 | 276.1217 | 276.1215 | 154.9904,
141.9812, 112.9787 | 1.2 | C12H20O7 | (2R,3S,4R)-3,4-二羟基-5-氧代四氢呋喃-2-基碳酸庚酯
(2R,3S,4R)-3,4-dihydroxy-5-oxotetrahydrofuran-2-yl heptyl carbonate | PE,
EL | | 33 | 24.78 | 344.2569 | 344.2563 | 295.2262,
279.2335, 277.2148 | 0.6 | C19H36O5 | (5R)-5-((1R,4R)-1,4,5-三羟基十五烷基)二氢呋喃-2(3H)-酮
(5R)-5-((1R,4R)-1,4,5-trihydroxypentadecyl)dihydrofuran-2(3H)-one | PE | | 34 | 26.79 | 390.2982 | 390.2960 | 381.2612,
355.2808,
354.2840 | 2.2 | C23H41O6 | (Z)-7-((1R,3R,5S)-3,5-二羟基-2-((3S,4S,E)-3-羟基-4-甲氧基-4-
甲基辛-1-烯-1-基)环戊基)庚-5-烯酸甲酯
Methyl (Z)-7-((1R,3R,5S)-3,5-dihydroxy-2-((3S,4S,E)-3-hydroxy-4-
methoxy-4-methyloct-1-en-1-yl)cyclopentyl)hept-5-enoate | PE | | 醇类Alcohols | | 35 | 16.94 | 500.3138 | 500.3137 | 483.3101,
465.2975, 459.2707 | 0.1 | C30H44O6 | (E)-5-(4-(十六烷基氧代)-3,5-二羟基苯乙烯基)苯-1,2,3-三醇
(E)-5-(4-(hexadecyloxy)-3,5-dihydroxystyryl)benzene-1,2,3-triol | ML | | 36 | 41.19 | 400.2879 | 400.2872 | 124.0875,
118.0876 | 0.7 | C28H38O2 | (S)-3-(2-((3aS,7aS)-3-(1-(4-羟基-4-甲基戊-2-氰基-1-基)环丙基)-3a-
甲基-3a,4,5,6-四氢-1H-茚-7(7aH)-亚基)亚乙基)-2-亚甲基环己醇
(S)-3-(2-((3aS,7aS)-3-(1-(4-hydroxy-4-methylpent-2-yn-1-yl)
cyclopropyl)-3a-methyl-3a,4,5,6-tetrahydro-1H-inden-7(7aH)-
ylidene)ethylidene)-2-methylenecyclohexanol | ML | | 37 | 24.01 | 484.2065 | 484.2033 | 470.2393,
429.2488,
365.2303 | 3.2 | C27H32O8 | (3S,4R,6S,6aS,12bS)-3,6-二羟基-4-(羟甲基)-9-(4-甲氧基苯基)-
4,6a,12b-三甲基-1,3,4,4a,5,6,6a,12b-八氢苯并[f]吡喃酮[4,3-b]
苯并吡喃-11,12(2H,12aH)-二酮
(3S,4R,6S,6aS,12bS)-3,6-dihydroxy-4-(hydroxymethyl)-9-(4-
methoxyphenyl)-4,6a,12b-trimethyl-1,3,4,4a,5,6,6a,12b-
octahydrobenzo[f]pyrano[4,3-b]chromene-11,12(2H,12aH)-dione | EA | | 糖类Saccharides | | 38 | 34.30 | 499.3870 | 499.3867 | 447.3879,
425.3058 | 0.3 | C28H53NO6 | 2-(十四基(((3aR,5R,5aS,8aS,8bR)-2,2,7,7-四甲基四氢-3aH-二
([1,3]二氧)[4,5-b:4',5'-d]吡喃-5-基)甲基)氨基)乙醇
2-(tetradecyl(((3aR,5R,5aS,8aS,8bR)-2,2,7,7-tetramethyltetrahydro-
3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-yl)methyl)amino)ethanol | ML | | 糖苷类Glycosides | | 39 | 27.76 | 490.3878 | 490.3870 | 297.2426,
279.2321, 224.1285 | 0.8 | C27H54O7 | β-6-脱氧-D-六碳吡喃糖鲨肝醇苷
Lochmodoside | EA | | 甾类Steroids | | 40 | 31.94 | 521.3478 | 521.3451 | 354.2852,
318.2122 | 2.7 | C33H47NO4 | (3S,8R,9S,10R,13S,14S,17S,E)-10,13-二甲基-3-(吡咯烷-1-基)-
16-(3,4,5-三甲基苯亚甲基)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-
十四氢-1H-环戊烯并[a]菲-17-醇
(3S,8R,9S,10R,13S,14S,17S,E)-10,13-dimethyl-3-(pyrrolidin-1-yl)-16-
(3,4,5-trimethoxybenzylidene)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-
tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol | EL |
|