Table 4.
Metabolites profiling using UHPLC-QTOF-IMS consisting of major fragments and expected compounds in M. koenigii fruit pulp maturation stages (1–6) respectively, (7) Leaf, (8) Seed.
| Peak No. | RT | Molecular formula | Theoretical mass | Measured mass | Major fragments | Expected compound | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | Metabolite Class |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1. | 7.516 | C9H8O4 | 180.02 | 179.03 [M − H]- | 132 | Caffeic acid | + | – | – | – | – | – | – | – | Phenolic acid |
| 2. | 7.98 | C15H17O9 | 342.30 | 341.11 [M − H]- | 179 | Caffeic acid hexoside | – | + | – | – | – | – | – | – | Phenolic acid glycoside |
| 3. | 10.103 | C15H14O6 | 290.26 | 289.90 [M − H]- | 207 | Catechin/epicatechin | – | – | + | + | + | + | + | + | Flavonoid |
| 4. | 10.933 | C13H16O10 | 332.26 | 331.90 [M − H]- | 301 | 1-O-galloyl hexose | – | – | – | – | – | + | – | – | Phenolic acid glycoside |
| 5. | 12.595 | C₆H₈O₇ | 192.03 | 191.02 [M − H]- | 170,179 | Citric acid | + | + | + | + | + | + | + | + | Organic acid |
| 6. | 12.968 | C16H20O9 | 356.32 | 355.06 [M − H]- | 191 | Ferulic acid hexoside | – | – | – | – | – | + | + | + | Phenolic acid glycoside |
| 7. | 13.649 | C16H17O9 | 354.02 | 353.09 [M − H]- | 179,191 | 3-caffeoylquinic acid | + | + | + | + | + | + | + | + | Phenolic acid |
| 8. | 14.121 | C21H18O13 | 478.4 | 477.96 [M − H]- | 451 | Quercetin 3-O-glucuronide | – | + | – | – | + | – | – | – | Flavonoid glycoside |
| 9. | 16.01 | C24H22O15 | 550.4 | 549.01 [M − H]- | 517 | Quercetin O-malonyl-O-hexoside | – | – | + | – | – | – | – | – | Flavonoid glycoside |
| 10. | 16.435 | C16H17O8 | 338.31 | 337.05 [M − H]- | 173,191 | 4-p-Coumaroyl quinic acid | + | – | – | – | – | – | – | – | Phenolic acid glycoside |
| 11. | 17.552 | C27H30O16 | 610.5 | 609.14 M − H]- | 463 | Quercetin 3-rutinoside | – | – | – | – | – | + | + | – | Flavonoid glycoside |
| 12. | 17.578 | C23H22O13 | 506.4 | 505.10 [M − H]- | 463 | Quercetin-3-O-acetyl hexoside | + | + | + | + | + | + | + | + | Flavonoid glycoside |
| 13. | 17.794 | C21H19O12- | 464.4 | 463.09 [M − H]- | 301,179 | Quercetin 3-O-hexoside | – | + | + | + | + | + | + | – | Flavonoid glycoside |
| 14. | 18.442 | C30H48O5 | 488.7 | 487.30 [M − H]- | 463 | Tormentic acid | – | + | – | + | – | – | – | – | Triterpene |
| 15. | 18.72 | C15H10O6 | 286.24 | 285.17 [M − H]- | 255 | Kaempferol | + | – | – | – | – | – | – | – | Flavonoid |
| 16. | 20.22 | C24H20O14 | 534.4 | 533.09 [M − H]- | 515,499 | Kaempferol-O-malonyl-O hexoside | + | + | + | + | + | + | + | + | Flavonoid glycoside |
| 17. | 21.08 | C20H18O11 | 434.3 | 433.23 [M − H]- | 301,178 | Querecetin-3-O-pentoside | + | – | – | – | – | – | – | – | Flavonoid glycoside |
| 18. | 24.087 | C15H17O8 | 326.30 | 325.18 [M − H]- | 119 | p-coumaric acid hexoside | – | + | – | – | + | – | – | – | Phenolic acid glycoside |
| 19. | 24.170 | C32H28O14 | 636.56 | 635.35 [M − H]- | 449 | Kaempferol-O-acetyl-O-p-coumaroyl-O-hexoside | – | + | – | – | – | – | – | – | Flavonoid glycoside |