Table 1.
Identification of compounds analyzed by LC-MS.
| Metabolite | m/z (ESI+) | Adduct | m/z (ESI-) | Adduct | Rt (min) | Rt (s) |
|---|---|---|---|---|---|---|
| FLAVONOIDS | ||||||
| Quercetin hexoside hexoside | 627.16 | [M+H]+ | 625.14 | [M-H]− | 5.50 | 330 |
| 465.11 | [M-hexose]+ | |||||
| 303.05 | [M-2hexose]+ | |||||
| Quercetin hexoside deoxyhexoside | 609.15 | [M+H]+ | 607.14 | [M-H]− | 6.00 | 360 |
| 303.06 | [M-hexose-deoxyhexose]+ | |||||
| 449.10 | [M-hexose]+ | |||||
| Quercetin deoxyhexoside deoxyhexoside | 595.17 | [M+H]+ | 593.16 | [M-H]− | 6.34 | 380.4 |
| 449.12 | [M-deoxyhexose]+ | |||||
| 303.07 | [M-deoxyhexose]+ | |||||
| Hesperetin deoxyhexoside hexoside | 303.09 | [M-deoxyhexose]+ | 609.18 | [M-H]− | 6.60 | 396 |
| 611.19 | [M+H]+ | 301.08 | [M-deoxyhexose-hexose]− | |||
| 449.15 | [M-hexose]+ | |||||
| Hesperetin hexoside deoxyhexoside | 611.20 | [M+H]+ | 609.18 | [M-H]− | 6.77 | 406.2 |
| 449.15 | [M-hexose]+ | 301.08 | [M-hexose-deoxyhexose]− | |||
| 303.09 | [M-deoxyhexose]+ | 447.14 | [M-hexose]− | |||
| Kaempferol hexoside deoxyhexoside #1 | 287.07 | [M-deoxyhexose-hexose]+ | 285.06 | [M-deoxyhexose-hexose]− | 5.99 | 359.4 |
| 595.16 | 593.15 | [M-H]− | ||||
| 449.10 | 447.09 | [M-deoxyhexose]− | ||||
| Kaempferol hexoside deoxyhexoside #2 | 595.16 | [M+H]+ | 593.16 | [M-H]− | 6.13 | 367.8 |
| 287.07 | [M-hexose-deoxyhexose]+ | 285.06 | [M-hexose-deoxyhexose]− | |||
| 447.11 | [M-deoxyhexose]− | |||||
| Kaempferol hexoside deoxyhexoside #3 | 595.16 | [M+H]+ | 593.16 | [M-H]− | 6.35 | 381 |
| 449.12 | [M-hexose]+ | 285.06 | [M-hexose-deoxyhexose]− | |||
| 287.07 | [M-hexose-deoxyhexose]+ | |||||
| Isorhamnetin hexoside desoxyhexoside | 625.18 | [M+H]+ | 623.17 | [M-H]− | 6.40 | 384 |
| 317.07 | [M-deoxyhexose-hexose]+ | 315.07 | [M-deoxyhexose-hexose]− | |||
| 479.13 | [M-deoxyhexose]+ | |||||
| Isorhamnetin methylhexose hexose | 623.16 | [M+H]+ | 621.15 | [M+H]− | 6.90 | 414 |
| 317.07 | [M-methylhexose-hexose]+ | 315.06 | [M-methylhexose-hexose]− | |||
| Apigenin deoxyhexose hexose | 271.06 | [M-deoxyhexose-hexose]+ | 269.05 | [M-deoxyhexose-hexose]− | 6.45 | 387 |
| 579.17 | [M+H]+ | 577.16 | [M-H]− | |||
| 433.11 | [M-deoxyhexose]+ | |||||
| Apigenin aglycone | 271.06 | [M+H]+ | 269.06 | [M-H]− | 8.66 | 519.6 |
| Tangeretin #1 | 373.14 | [M+H]+ | – | 9.40 | 564 | |
| Tangeretin #2 | 373.14 | [M+H]+ | – | 9.90 | 594 | |
| Tangeretin #3 | 373.14 | [M+H]+ | – | 11.20 | 672 | |
| PHENYLPROPANOIDS | ||||||
| Scopolin | 193.07 | [M-hexose]+ | – | 4.90 | 294 | |
| 355.11 | [M+H]+ | |||||
| Scopoletin | 193.07 | [M+H]+ | – | 5.80 | 348 | |
| TRITERPENOIDS | ||||||
| Nomilin deoxyhexoside | 515.22 | [M-deoxyhexose]+ | 531.22 | [M-deoxyhexose+H2O]− | 7.90 | 474 |
| 487.23 | [M-CO]+ | |||||
| 469.22 | [M-CH2O2]+ | |||||
| 455.21 | [M-C2H4O2]+ | |||||
| 413.20 | [M-C4H6O3]+ | |||||
| 661.27 | [M+H]+ | |||||
| Nomilin | 515.22 | [M+H]+ | 453.19 | [M-C2H3O2]− | 10.50 | 630 |
| 487.23 | [M-CO]+ | 513.22 | [M-H]− | |||
| 425.20 | [M-CO]− | |||||
| Obacunone | 455.21 | [M+H]+ | 453.20 | [M-H]− | 11.10 | 666 |
| 411.17 | [M-C2H4O]+ | |||||
| Limonin | 471.20 | [M+H]+ | 469.19 | [M-H]− | 9.90 | 594 |
| 443.21 | [M-CO]+ | |||||
| 425.20 | [M-H2O]+ | |||||
| LIPIDS AND DERIVATIVES | ||||||
| Lysophosphatidyl choline | 496.34 | [M-C18H32O]+ | – | 13.80 | 828 | |
| 263.24 | [M-C24H49NO7P]+ | |||||
| Linolenic acid | 279.23 | [M+H]+ | 277.22 | [M-H]− | 12.30 | 738 |
| Linolenic acid hexoside hexoside | 353.27 | [M-hexose+H2O]+ | 277.22 | [M-hexose-hexose]+ | 11.57 | 694.2 |
| 497.31 | [M-hexose]+ | 657.35 | [M-H]− | |||
| 261.22 | [M-hexose-hexose-H2O]+ | |||||
| 659.36 | [M+H]+ | |||||
| 335.26 | [M-hexose]+ | |||||
Ordering of m/z values reflects their relative abundance.