Table 3.
RT (min) | Experimental m/z [M–H]− | Theoretical Mass | Mass Error (ppm) | Molecular Formula | Tentatively Identified Compound | Metabolite Class |
---|---|---|---|---|---|---|
0.612 | 592.9786 | 594.1590 | 1.98 | C27H30O15 | Apigenin-6,8-di-C- glycoside | Flavonoid |
2.781 | 563.0218 | 564.1484 | 1.99 | C26H28O14 | Kaempferol rhamnosyl xyloside | Flavonoid |
3.180 | 405.1198 | 406.1269 | 2.47 | C20H22O9 | Piceatannol glucoside | Stilbene |
3.497 | 595.1341 | 596.1382 | 1.68 | C26H28O16 | Quercetin 3-O-glucosyl-xyloside | Flavonoid |
3.689 | 609.1451 | 610.1539 | 1.65 | C27H30O16 | Kaempferol 3,7-O-diglucoside | Flavonoid |
4.457 | 374.4914 | - | - | - | Unknown | - |
4.665 | 593.1497 | 594.1590 | 1.69 | C27H30O15 | Kaempferol-O-α-rhamnosyl-glucopyranoside | Flavonoid |
5.078 | 453.1356 | 454.1421 | 2.21 | C28H22O6 | E-Viniferin | Stilbene |
5.395 | 400.3705 | - | - | - | Unknown | - |
5.973 | 755.2030 | 756.2118 | 1.33 | C33H40O20 | Kaempferol 3-O-glucosyl-rhamnosyl-galactoside | Flavonoid |
6.179 | 594.1627 | - | - | - | Unknown | - |
6.423 | 433.0760 | 434.0854 | 2.32 | C20H18O11 | Quercetin arabinoside | Flavonoid |
6.779 | 448.1011 | 449.1089 | 2.24 | C21H21O11 | Cyanidin 3-O-galactoside | Flavonoid |
6.954 | 464.0960 | 465.1038 | 2.16 | C21H21O12 | Delphinidin 3-O-glucoside | Flavonoid |
7. 384 | 447.0930 | 448.1011 | 2.24 | C21H20O11 | Kaempferol hexoside | Flavonoid |
7.465 | 576.4380 | - | - | - | Unknown | - |
7.645 | 302.0060 | - | - | - | Unknown | - |
7.851 | 426.7290 | - | - | - | Unknown | - |