Table 1. Identification parameters—flavonoid name, neutral mass, retention time (RT), adduct formed, precursor ion (m/z) and main product ions (m/z)—, for the 32 flavonoids tentatively identified.
| Compound name | Formula | Neutral mass | RT | Precursor Ion (m/z) | Adduct | Main m/z fragments | ||
|---|---|---|---|---|---|---|---|---|
| FLAVANONES | ||||||||
| Eriocitrin | C27H32O15 | 596.1740 | 20.88 | 597.1811 | [M+H]+ | 289.0699 | 153.0179 | 163.0390 |
| Eriodictyol-Glu-Rha-Glu | C33H42O20 | 758.2265 | 21.47 | 757.2200 | [M-H]- | 287.0541 | 449.1067 | 595.1663 |
| Neoeriocitrin | C27H32O15 | 596.1744 | 27.3 | 295.166 | [M-H]- | 287.0534 | 151.0012 | 135.0422 |
| Eriodictyol-Neo-Rha | C33H42O19 | 742.232 | 27.49 | 743.2393 | [M+H]+ | 435.1307 | 289.0716 | 195.0294 |
| Naringin | C27H32O14 | 580.1782 | 32.48 | 579.1717 | [M-H]- | 271.0590 | 151.0003 | 119.0474 |
| Hesperidin | C28H34O15 | 610.1884 | 33.42 | 609.1818 | [M-H]- | 301.0697 | 325.0687 | 343.0822 |
| Hesperetin | C16H14O6 | 302.0801 | 34.76 | 303.0866 | [M+H]+ | 153.0181 | 177.0541 | 117.0349 |
| Hesperetin-7-O-Rha | C22H24O10 | 448.1368 | 34.85 | 449.1442 | [M+H]+ | 303.0858 | 177.0545 | 153.0183 |
| Neohesperidin | C28H34O15 | 610.1893 | 35.04 | 609.1827 | [M-H]- | 301.0703 | 325.0707 | 125.0183 |
| FLAVONES | ||||||||
| Apigenin-Glu-Rha-Glu | C33H40O19 | 786.2218 | 22.77 | 785.2085 | [M+FA-H]- | 269.0424 | 577.1554 | 431.0949 |
| Luteolin-Rut-Glu | C33H40O20 | 756.2105 | 23.01 | 755.2041 | [M-H]- | 285.0385 | 593.1509 | |
| Homoorientin | C21H20O11 | 448.0992 | 25.34 | 447.0908 | [M-H]- | 357.0591 | 327.0478 | 297.0367 |
| Orientin | C21H20O11 | 448.1006 | 25.77 | 447.0915 | [M-H]- | 357.0566 | 327.0487 | 298.0448 |
| Vitexin -O-xyloside | C26H28O14 | 564.1471 | 28.15 | 563.1396 | [M-H]- | 293.0422 | 59.0121 | 311.0516 |
| Vitexin | C21H20O10 | 432.1058 | 28.60 | 431.0952 | [M-H]- | 311.0536 | 283.0562 | 341.0636 |
| Vitexin-2-Rha | C27H30O14 | 578.1627 | 28.91 | 577.1559 | [M-H]- | 293.0427 | 413.0883 | 59.0117 |
| Luteolin-Glu-Rha | C27H30O15 | 594.1583 | 29.61 | 595.1659 | [M+H]+ | 287.0552 | 449.1074 | |
| Luteolin-Neo | C27H30O15 | 594.1583 | 29.85 | 593.1507 | [M-H]- | 285.0382 | 284.0293 | 151.0005 |
| Diosmetin-Glu | C22H22O11 | 462.1146 | 31.20 | 497.0871 | [M+Cl]- | 461.1071 | 341.0631 | 298.0458 |
| Rhoifolin | C27H30O14 | 578.1623 | 34.11 | 577.1555 | [M-H]- | 269.0435 | 311.0527 | 85.0270 |
| Diosmin | C28H32O15 | 608.1729 | 34.90 | 607.1657 | [M-H]- | 299.0537 | 284.0282 | 301.0697 |
| Neodiosmin | C28H32O15 | 608.1745 | 35.99 | 607.1663 | [M-H]- | 299.0527 | 284.0285 | 509.9860 |
| Diosmetin-Glu-Rha | C28H32O15 | 608.1744 | 39.79 | 609.1819 | [M+H]+ | 301.0706 | 463.1233 | 153.0182 |
| FLAVANOLS | ||||||||
| Quercetin-Glu-Rha-Glu | C33H40O21 | 772.2055 | 17.26 | 771.1984 | [M-H]- | 609.1442 | 462.0776 | 341.0449 |
| Rutin | C27H30O16 | 610.1528 | 29.70 | 609.1456 | [M-H]- | 300.0247 | 301.0330 | 271.0259 |
| Limocitrin-Neo | C29H34O17 | 654.1790 | 33.36 | 653.1723 | [M-H]- | 345.0577 | 330.0332 | 301.0684 |
| Spinacetin-Glu-HMG-Glu | C35H42O22 | 814.2166 | 33.52 | 813.2046 | [M-H]- | 651.1548 | 549.1258 | 345.0579 |
| Limocitrin-Glu-HMG-Glu | C35H42O22 | 814.2167 | 33.98 | 813.2046 | [M-H]- | 651.1548 | 549.1258 | 345.0579 |
| Isorhamnetin-3-O-Neo | C28H32O16 | 624.1678 | 34.32 | 623.1631 | [M-H]- | 315.0491 | 300.0238 | 271.0202 |
| Limocitrol-Glu-HMG | C18H16O9 | 682.1744 | 37.60 | 681.1630 | [M-H]- | 375.0699 | 360.0472 | 537.1240 |
| Limocitrin-HMG-Glu | C29H32O17 | 652.1640 | 37.80 | 651.1566 | [M-H]- | 345.0593 | 549.1233 | 507.1117 |
| Quercetin-3-O-Neo | C27H30O16 | 610.1885 | 39.74 | 609.1844 | [M-H]- | 301.0691 | 151.0023 | |
Glu, glucoside; Neo, neohesperidoside; Rut, rutinoside; HMG, 3-hydroxy-3-methyl-glutaryl.