No. | RT (min) | m/z | Formula | Error (ppm) | VIP | Expected compound | Feature | Class (function) | ||
---|---|---|---|---|---|---|---|---|---|---|
Fold change (log2) | Korea only | China only | ||||||||
1 | 16.60 | 283.097 | C17H14O4 | 0.247 | 4.38 | 5,7-Dimethoxyisoflavone | N/A | O | Â | Flavonoids (anabolic and anti-catabolic compound) |
2 | 16.86 | 285.185 | C19H24O2 | 0.228 | 5.22 | Alpha-terpinyl cinnamate | N/A | O | Â | Cinnamic acid derivatives (flavoring agent) |
3 | 17.89 | 315.196 | C20H26O3 | 0.216 | 4.71 | Lanugone A | N/A | O | Â | Terpenes |
4 | 10.83 | 338.139 | C20H19NO4 | 0.053 | 5.01 | Ficine | N/A | O | Â | Flavonoidal alkaloid |
5 | 15.60 | 403.118 | C24H18O6 | 0.275 | 4.72 | Calomelanol I | N/A | O | Â | Flavonoids (antioxidant activity) |
6 | 13.10 | 421.128 | C24H20O7 | 0.085 | 4.70 | 5-O-Methylhoslundin | N/A | O | Â | Flavonoids (antioxidant activity) |
7 | 18.67 | 453.337 | C30H44O3 | 0.490 | 4.11 | Tyromycic acid | N/A | O | Â | Triterpenoids |
8 | 18.62 | 475.378 | C30H50O4 | 0.587 | 4.90 | Soyasapogenol A | N/A | O | Â | Triterpenoids (antibacterial activity) (Rupasinghe et al. 2003) |
9 | 20.67 | 489.394 | C31H52O4 | 0.366 | 9.99 | 1α-hydroxy-2β-(4-hydroxybutoxy) vitamin D3 | N/A | O |  | Vitamin D3 |
10 | 19.12 | 491.373 | C30H50O5 | 0.611 | 4.04 | Meliantriol | N/A | O | Â | Triterpenoids (insecticidal activity) |
11 | 18.36 | 501.321 | C30H44O6 | 0.578 | 7.88 | Ganolucidic acid D | N/A | O | Â | Terpenoids |
12 | 18.77 | 503.337 | C30H46O6 | 0.723 | 7.35 | Esculentic acid | N/A | O | Â | Triterpenoids |
13 | 14.50 | 563.168 | C28H31ClO10 | 0.783 | 7.75 | Physalin H | N/A | O | Â | Physalins |
14 | 16.79 | 161.060 | C10H8O2 | 0.000 | 7.05 | 6-Methylcoumarin | 6.2 | Â | Â | Benzopyrone (flavoring agent) |
15 | 12.62 | 329.102 | C18H16O6 | − 0.079 | 5.80 | Alnetin | 5.0 |  |  | Flavonoids (antifungal activity) |
16 | 12.48 | 285.075 | C16H12O5 | 0.088 | 6.81 | Genkwanin | 4.5 | Â | Â | Flavonoids (anticancer activity) |
17 | 14.22 | 249.112 | C14H16O4 | − 0.012 | 8.24 | Pyriculol | 4.4 |  |  | Phenylpropanoids (phytotoxin) |
18 | 14.71 | 285.076 | C16H12O5 | 0.203 | 4.04 | Acacetin | 2.9 | Â | Â | Flavonoids (anti-inflammatory activity) |
19 | 14.45 | 343.118 | C19H18O6 | 0.344 | 6.04 | Tetramethoxyflavone | 2.7 | Â | Â | Flavonoids (anticancer activity) |
20 | 15.48 | 315.087 | C17H14O6 | 0.133 | 13.06 | Rosinidin | 2.4 | Â | Â | Anthocyanidins |
21 | 8.26 | 209.081 | C11H12O4 | − 0.033 | 8.44 | Dimethylcaffeic acid | 2.1 |  |  | Phenols, caffeic acid derivatives |
22 | 12.89 | 317.066 | C16H12O7 | − 0.035 | 5.18 | Rhamnetin | 2.0 |  |  | Flavonoids (anti-inflammatory activity) |
23 | 15.97 | 285.076 | C16H12O5 | 0.158 | 7.14 | 8-C-ethylgalangin | 1.6 | Â | Â | Flavonoids (anti-inflammatory activity) |
24 | 17.98 | 357.133 | C20H20O6 | 0.381 | 6.51 | Kievitone | 1.4 | Â | Â | Flavonoids (phytoalexin) |
25 | 14.83 | 257.081 | C15H12O4 | 0.086 | 12.54 | Pinocembrin | 1.1 | Â | Â | Flavonoids (anticancer activity) |
26 | 14.38 | 315.253 | C18H34O4 | 0.184 | 4.78 | Octadecanedioic acid | − 1.1 |  |  | Long-chain fatty acids |
27 | 16.94 | 643.419 | C36H60O8 | 0.575 | 4.09 | Fasciculic acid A | − 1.2 |  |  | Triterpenoids (calmodulin antagonist activity) |
28 | 15.03 | 293.042 | C15H10O5 | 0.198 | 4.03 | Apigenin | − 1.5 |  |  | Flavonoids (anticancer activity) |
29 | 18.45 | 299.258 | C18H34O3 | 0.478 | 4.65 | Ricinoleic acid | − 1.5 |  |  | Unsaturated fatty acids (anti-inflammatory activity) (Vieira et al. 2000) |
30 | 18.68 | 297.243 | C18H32O3 | 0.273 | 5.80 | Dimorphecolic acid | − 1.8 |  |  | Fatty acids (antibacterial activity) (Mundt et al. 2003) |
31 | 20.27 | 310.310 | C20H39NO | 0.055 | 8.75 | Oleoyl ethyl amide | − 2.4 |  |  | Ethanol amide lipids (analgesic activity) |
32 | 19.51 | 323.258 | C20H34O3 | 0.121 | 13.73 | (±)5-6E,8Z,11Z-eicosatrienoic acid (HETrE) | − 2.9 |  |  | Unsaturated fatty acids |
33 | 18.86 | 339.253 | C20H34O4 | 0.363 | 9.83 | Aphidicolin | − 3.1 |  |  | Tetracyclic diterpene antibiotics (Antiviral activity) |
34 | 17.52 | 463.139 | C26H22O8 | 0.555 | 5.17 | Artomunoxanthentrione epoxide | − 3.2 |  |  | a potential biomarker |
35 | 19.68 | 325.274 | C20H36O3 | 0.357 | 6.86 | Alchornoic acid | − 3.7 |  |  | Fatty acids |
36 | 18.08 | 341.269 | C20H36O4 | 0.325 | 7.18 | Thromboxanoic acid skeleton | − 3.7 |  |  | Fatty acids |
37 | 19.86 | 399.290 | C26H38O3 | 0.073 | 5.54 | Ximaosteroid C | − 3.9 |  |  | Steroids |
38 | 19.68 | 606.546 | C38H71NO4 | 0.659 | 6.36 | Cer(d16:2(4E,6E)/22:1(13Z)(2OH)) | − 4.3 |  |  | Fatty acids |
39 | 9.39 | 287.091 | C16H14O5 | 0.066 | 6.66 | Gummiferol | N/A | Â | O | Polyacetylenic diepoxides (anticancer activity) |
40 | 18.21 | 321.242 | C20H32O3 | 0.159 | 4.01 | 15-Hydroxyeicosatetraenoic acid (HETE) | N/A | Â | O | Eicosanoids |
41 | 17.83 | 343.284 | C20H38O4 | 0.303 | 6.51 | Eicosanedioic acid | N/A | Â | O | Eicosanoids |
42 | 17.27 | 389.102 | C23H16O6 | 0.239 | 4.12 | Pamoate | N/A | Â | O | Naphthoic acid derivative |
43 | 16.93 | 421.128 | C24H20O7 | 0.468 | 7.29 | Glabratephrin | N/A | Â | O | Flavonoids (antifeedant activity) |