Table 2.
Metabolites identified in 100% methanol extracts of L. sativum seeds via UHPLC-PDA-ESI-MS in both negative and positive ionization modes. Nd = not detected, + or – denotes molecular ion charge in molecular formula.
| Peak No |
RT (min) |
UV (nm) |
Mol. Ion | Mol. Formula | Name | Class | Error (ppm) |
MSMS Fragments |
|---|---|---|---|---|---|---|---|---|
| 1 | 0.3 | Nd | 705.1815 | C36H35O15+ | Hexahydroxy-biflavanone-O-hexoside | Flavonoid | −0.1 | 543 |
| 2 | 0.35 | Nd | 325.1135 | C12H21O10+ | Unknown disaccharide | Sugar | 2.3 | 223, 127 |
| 3 | 0.5 | 280 | 337.1384 | C16H21N2O6+ | Semilepidinoside A | Glycoalkaloid | 0.9 | 347, 174 |
| 4 | 0.52 | Nd | 719.2016 | C37H37O15+ | Dimethoxycinnamoyl-O-feruloyl-O-caffeoylquinic acid | Phenolic acid | −5.4 | 539, 377, 341 |
| 5 | 0.5 | Nd | 723.1882 | C36H37O16+ | Tetrahydroxyflavan-tetrahydroxyflavanone hexoside | Flavonoid | 4.9 | |
| 6 | 0.57 | Nd | 539. 1378 | C24H27O14− | Unknown | Sugar | 1.4 | 377 |
| 7 | 0.6 | 280 | 337.1384 | C16H21N2O6+ | Semilepidinoside A (isomer) | Glycoalkaloid | 2.9 | 174 |
| 8 | 0.7 | Nd | 337.1409 | C12H17O8+ | Aconitic acid-O-hexoside | Organic acid | 7.7 | 175 |
| 9 | 1.1 | 280 | 347.1476 | C20H19N4O2+ | Lepidine (B/D/E/F) | Alkaloid | 7.4 | 174 |
| 10 | 1.9 | 280 | 408.0463 | C14H19NO9S2− | Benzyl-glucosinolate (Glucotropaeolin) | Glucosinolate | - | 246, 212, 96 |
| 11 | 2.3 | 280 | 359.1525 | C20H23O6− | Lariciresinol | Lignan | 3.1 | 345, 298 |
| 12 | 2.6 | 280 | 361.1648 | C21H21N4O2+ | Lepidine C | Alkaloid | 3 | 174 |
| 13 | 2.9 | Nd | 347.167 | C20H19N4O2+ | Lepidine (B/D/E/F) | Alkaloid | ||
| 14 | 3.2 | 280 | 361.167 | C21H21N4O2+ | Lepidine C | Alkaloid | 3.0 | 214 |
| 15 | 3.4 | 280.5 | 425.0897 | C22H17O9− | Unknown | Flavonoid | −4.5 | 359 |
| 16 | 3.9 | 328 | 310.1657 | C16H25NO5+ | Sinapine | Alkaloid | 0.6 | 251, 207 |
| 17 | 4.1 | 328 | 294.1348 | - | Unknown | Glucosinolate | 96 | |
| 18 | 5.0 | Nd | 369.1191 | C17H21O9+ | O-Caffeoylquinic acid methyl ester | Phenolic acid | −2.5 | |
| 19 | 5.8 | Nd | 225.0745 | C11H13O5+ | Trihydroxycinnamic acid-O-di-methyl ester | Phenolic acid | 5.3 | 175 |
| 20 | 6.1 | 328 | 207.0642 | C11H9O4− | Dimethylesculetin | Coumarin | 0.4 | 175 |
| 21 | 6.5 | 329 | 339.0722 | C15H15O9 | Esculin | Coumarin | −4.6 | 223, 179 |
| 22 | 6.9 | 327 | 613.1870 | C26H33N2O15+ | Unknown | |||
| 23 | 11.6 | 326 | 591.1684 | C28H31O14− | Acacetin-O-rutinoside | Flavonoid | 5.9 | 283 |
| 24 | 12.2 | Nd | 329.2319 | C18H33O5− | Trihydroxy octadecenoic acid | Hydroxy fatty acid | 4.4 | 283 |
| 25 | 16.5 | Nd | 271.2299 | C16H31O3− | Hydroxy hexadecanoic acid | Hydroxy fatty acid | 3.5 | 225, 116 |
| 26 | 16.6 | Nd | 277.2173 | C18H29O2− | Linolenic acid | Unsaturated fatty acid | 4.5 | 251, 211 |
| 27 | 17.2 | Nd | 279.2330 | C18H31O2- | Linoleic acid | Unsaturated fatty acid | 4 | 211 |
| 28 | 17.3 | Nd | 425.287+ | C24H41O6+ | Unknown steroid | Steroid | 3.3 | |
| 29 | 17.5 | Nd | 327.2888 | C20H39O3− | Hydroxy eicosanoic acid | Hydroxy fatty acid | 5.1 | - |
| 30 | 17.7 | Nd | 353.3044 | C22H41O3− | Oxo docosanoic acid | Oxygenated fatty acid | 4.9 | - |
| 31 | 17.8 | Nd | 281.2488 | C18H33O2− | Oleic acid | Unsaturated fatty acid | −0.7 | |
| 32 | 18.8 | Nd | 311.2941 | C20H39O2+ | Eicosenoic acid | Unsaturated fatty acid | 1.2 |