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RT | m/z | Adducts | Formula | Area | Compound name | Ontology |
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1.1871 | 138.0552 | [M + H]+ | C7H7NO2 | 1352611 | Trigonelline | Alkaloids and derivatives |
4.6562 | 167.071 | [M + H]+ | C9H10O3 | 272814.4 | Paeonol | Alkyl-phenylketones |
26.8526 | 118.087 | [M + H]+ | C5H11NO2 | 112264.9 | Glycine-betaine | Alpha amino acids |
1.7618 | 130.0501 | [M + H]+ | C5H7NO3 | 781259.7 | L-Pyroglutamic acid | Alpha amino acids and derivatives |
5.5697 | 193.0862 | [M + H]+ | C11H12O3 | 625210.6 | 4-Methoxy-6-prop-2-enyl-1,3-benzodioxole | Benzodioxoles |
6.1046 | 147.0441 | [M + H − H2O]+ | C9H8O3 | 129547.1 | Coumaric acid | Coumaric acid and derivatives |
16.0111 | 357.2811 | [M + H–2H2O]+ | C24H40O4 | 119571.4 | Chenodeoxycholic acid | Dihydroxy bile acids, alcohols, and derivatives |
2.5215 | 413.1466 | [M + Na]+ | C21H26O7 | 314987.3 | Pseudolaric acid C | Diterpene lactones |
13.5363 | 333.2061 | [M + H]+ | C20H28O4 | 278003.4 | 14-Deoxy-11,12-dehydroandrographolide | Diterpene lactones |
20.1508 | 307.265 | [M − H2O + H]+ | C20H36O3 | 113260.3 | 1-Naphthalene pentanoic acid | Diterpenoids |
6.5406 | 235.1708 | [M − H2O + H]+ | C15H24O3 | 425795.6 | 2-[(2R,4aR,8R,8aR)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]acrylic acid | Eudesmane isoeudesmane or cycloeudesmane sesquiterpenoids |
6.9254 | 235.1708 | [M − H2O + H]+ | C15H24O3 | 242001.3 | 2-[(2R,4aR,8R,8aR)-8-Hydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]acrylic acid | Eudesmane isoeudesmane or cycloeudesmane sesquiterpenoids |
5.4473 | 321.0649 | [M + H]+ | C15H12O8 | 199906.6 | Flavanone base + 6O | Flavanone O-glycosides |
9.7335 | 273.0764 | [M + H]+ | C15H12O5 | 1362279 | Naringenin | Flavanones |
4.9552 | 581.1531 | [M + H]+ | C26H28O15 | 224823.8 | Flavone base + 4O | Flavone C, C-glycosides |
3.6106 | 273.0954 | [M + H]+ | C19H12O2 | 175441 | Alpha-naphthoflavone | Flavones |
5.6304 | 535.1486 | [M + H]+ | C25H26O13 | 1587861 | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3,4,5-trihydroxyoxan-2-yl)chromen-4-one | Flavonoid 8-C-glycosides |
8.1981 | 683.2321 | [M + Na]+ | C33H40O14 | 153366.3 | 2″-O-Rhamnosyl icariside II | Flavonoid-3-O-glycosides |
5.4473 | 233.1546 | [M + H]+ | C15H20O2 | 343760.2 | Cyclodeca[b]furan-2(3H)-one | Germacranolides and derivatives |
7.3119 | 233.1534 | [M + H]+ | C15H20O2 | 119390.2 | Cyclodeca[b]furan-2(3H)-one | Germacranolides and derivatives |
16.6456 | 537.3073 | [M + Na]+ | C27H46O9 | 284167.9 | 2-Hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate | Glycosylmonoacylglycerols |
19.4844 | 441.1914 | [M + Na]+ | C23H30O7 | 101586.6 | Gomisin H | Hydrolyzable tannins |
9.0676 | 243.1017 | [M + H]+ | C15H14O3 | 218506.8 | 7-Methoxy-9,10-dihydrophenanthrene-2,5-diol | Hydrophenanthrenes |
13.37 | 243.1036 | [M + H]+ | C15H14O3 | 155382.3 | 7-Methoxy-9,10-dihydrophenanthrene-2,5-diol | Hydrophenanthrenes |
26.7682 | 247.1685 | [M − H2O + H]+ | C16H24O3 | 925038.5 | NCGC00385962-01_C16H24O3_ | Macrolides and analogues |
5.1421 | 267.1607 | [M + H]+ | C15H22O4 | 347243.3 | Naphtho[1,2-c] furan-3(1H)-one | Naphthofurans |
6.3661 | 219.1765 | [M − H2O + H]+ | C15H24O2 | 204709.5 | 2(1H)-Naphthalenone | Sesquiterpenoids |
23.6514 | 413.3827 | [M + H]+ | C29H48O | 1408917 | (3beta, 22E)-Stigmasta-5,22-dien-3-ol | Stigmastanes and derivatives |
11.0998 | 245.1205 | [M + H]+ | C15H16O3 | 201509.9 | 3-[2-(3-Hydroxyphenyl)ethyl]-5-methoxyphenol | Stilbenes |
11.0876 | 275.1279 | [M + H]+ | C16H18O4 | 489588.5 | 4-[2-(3-Hydroxy-5-methoxyphenyl) ethyl] -2-methoxyphenol | Stilbenes |
7.3119 | 453.2136 | [M + Na]+ | C21H34O9 | 935641.9 | 2(1H)-Azulenone | Terpene glycosides |
6.8632 | 249.1492 | [M − H2O + H]+ | C15H22O4 | 436808.9 | Naphtho[2,3-b]furan-2(4H)-one | Terpene lactones |
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