Table 2.
Putative identified features (m/z × RT pairs) using HRMS and MS/MS fragmentation patterns using MzMine, MS-finder and DNP database
| ID | RT (min) | m/z | Formula finder | Δ Da | Putative ID | Ontology | Scoring |
|---|---|---|---|---|---|---|---|
| 1 | 3.59 | 481.0977 [M–H]− | C21H22O13 | 0.0010643 | Vanillic acid 4-(6-galloylglucoside) | Phenolic glucoside gallate | 7.7481 |
| 2 | 4.11 | 447.0561 [M–H]− | C20H16O12 | 0.0007995 | Eschweilenol C | Hydrolyzable tannins | 7.5965 |
| 3 | 5.57 | 329.0296 [M–H]− | C16H10O8 | 0.0006908 | Ellagic acid-3,8-Di-Me ether | Hydrolyzable tannins | 7.5676 |
| 4 | 3.08 | 633.0719 [M–H]− | C27H22O18 | 0.0014374 | Corilagin | Hydrolyzable tannins | 7.5558 |
| 5 | 4.27 | 300.9984 [M–H]− | C14H6O8 | 0.0078670 | Ellagic acid | Hydrolyzable tannins | 7.4150 |
| 6 | 5.90 | 801.405 [M–H]− | C43H62O14 | 0.0016802 | 23-O-Galloylarjunolic acid 28-O-β-d-glucopyranosyl ester | Triterpenoids | 7.3505 |
| 7 | 3.97 | 483.0196 [M–H]− | C22H12O13 | 0.000914 | Flavogallonic acid-Me ester | Hydrolyzable tannins | 7.3463 |
| 8 | 2.69 | 469.0038 [M–H]− | C21H10O13 | 0.0010639 | Flavogallonic acid | Hydrolyzable tannins | 7.1290 |
| 9 | 7.26 | 639.3527 [M–H]− | C37H52O9 | 0.0011568 | 23-Galloylarjunolic acid | Triterpenoids | 7.0819 |
| 10 | 6.92 | 655.3481 [M–H]− | C37H52O10 | 0.0006714 | 23-Galloylterminolic acid | Triterpenoids | 6.9868 |
| 11 | 10.7 | 501.3589 [M–H]− | C31H50O5 | − 0.0003518 | 7-beta-Hydroxy-23-deoxojessic acid | Triterpenoids | 6.7122 |
| 12 | 7.71 | 547.3273 [M–H]− | C31H48O8 | 0.000342 | Quadrangularic acid F | Cycloartanols and derivatives | 6.7025 |