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Table 2 Putative identified features (m/z × RT pairs) using HRMS and MS/MS fragmentation patterns using MzMine, MS-finder and DNP database

From: Variation in chemical composition and antimalarial activities of two samples of Terminalia albida collected from separate sites in Guinea

ID RT (min) m/z Δ Da Formula finder Putative ID Ontology Detected in
TaD TaK
1 2.69 469.0038 [M-H] - −0.0003489 C21H10O13 flavogallonic acid Hydrolyzable tannins
2 5.9 641.3692 [M + H] + 0.0014128 C37H52O9 23-Galloylarjunolic acid Triterpenoids
3 4.95 315.0139 [M-H] - −0.0018512 C15H8O8 3-O-Methylellagic acid Hydrolyzable tannins
4 6.61 345.061 [M + H] + 0.0016802 C17H12O8 Nasutin B Hydrolyzable tannins
5 3.36 633.0721 [M-H] - −0.0004476 C27H22O18 Corilagin Hydrolyzable tannins
6 6.01 519.3322 [M + H] + 0.0014948 C30H46O7 Cucurbitacin F Cucurbitacins
7 4.27 300.9984 [M-H] - 0.0007995 C14H6O8 Ellagic acid Hydrolyzable tannins
8 4.11 447.0561 [M-H] - 0.001142 C20H16O12 Eschweilenol C Hydrolyzable tannins
9 5.85 487.3421 [M + H] + 0.0019794 C30H46O5 Astrantiagenin J Triterpenoids
10 7.04 547.3265 [M-H] - 0.0009789 C31H48O8 Quadrangularic acid F Cycloartanols and derivatives
11 5.3 817.4001 [M-H] - − 0.000099 C43H62O15 Quadranoside XI Triterpene saponins
12 5.65 521.0927 [M-H] - − 0.0000521 C23H22O14 Quercetagetin 7-(6″-acetylglucoside) Flavonoid-7-O-glycosides
13 5.61 667.4061 [M + H] + − 0.0015523 C36H58O11 Quercilicoside A Triterpene saponins
14 5.9 801.405 [M-H] - 0.0008995 C43H62O14 Russelioside G Steroidal glycosides
15 3.97 600.9883 [M-H] - −0.0002343 C28H10O16 Terminalin Hydrolyzable tannins
16 12.17 754.585 [M + H] + 0.0016545 C43H79NO9 Chrysogeside D Fatty acyl glycosides of mono and disaccharides °
17 1.15 214.09 [M + H] + −0.0009109 C13H11NO2 Bruceolline E Indoles °
18 5.19 505.3526 [M + H] + −0.0010109 C30H48O6 Myrianthic acid Triterpenoids °
19 7.67 489.3578 [M + H] + 0.0012948 C30H48O5 Arjunolic acid Triterpenoids °
20 4.61 435.1287 [M-H] - 0.0003775 C21H24O10 Phlorizin Flavonoid O-glycosides °
21 3.46 759.1191 [M-H] - −0.000299 C37H28O18 Prodelphinidin A2 3′-gallate Biflavonoids and polyflavonoids °
22 7.8 529.3167 [M-H] - 0.0013078 C31H46O7 Acinospesigenin B Triterpenoids °
23 3.8 457.0765 [M-H] - 0.0012078 C22H18O11 Epigallocatechin gallate Catechin gallates °
24 0.92 783.0694 [M + H] + 0.0006408 C34H22O22 Punicalin Hydrolyzable tannins °
25 7.19 505.3526 [M + H] + 0.0009774 C30H48O6 Protobassic acid Triterpenoids °
26 7.48 359.0767 [M + H] + 0.0012374 C18H14O8 5,3′-Dihydroxy-4′,5′-dimethoxy6,7methylenedioxyisoflavone 3′-hydroxy, 4′-methoxyisoflavonoids °
27 5.56 329.0296 [M + H] - −0.003745 C16H10O8 3,3′-di-O-Methylellagicacid;3,3′-Dimethoxyellagic acid Hydrolyzable tannins °
28 2.2 933.0623 [M + H] - 0.0003774 C41H26O26 Vescalagin Hydrolyzable tannins °
29 3.79 1083.0574 [M + H] - 0.0011788 C48H28O30 Punicalagin Hydrolyzable tannins °
30 4.57 450.9933 [M + H] - −0.0004062 C21H8O12 Flavogallol Hydrolyzable tannins °
31 6.46 327.014 [M + H] - 0.0006908 C16H8O8 Pteleoellagic acid   °
32 7.67 533.348 [M + H] - 0.0007408 C31H50O7 Methyl 4,23, 29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid 17-hydroxysteroids °
33 3.67 463.0507 [M + H] - −0.0007903 C20H16O13 Ellagic acid glucoside Hydrolyzable tannins °
34 4 433.0403 [M + H] - 0.0011876 C19H14O12 Ellagic acid arabinoside Hydrolyzable tannins °
35 6.26 817.4003 [M + H] - 0.0027568 C43H62O15 Quadranoside XI;(+) - Quadranoside XI Triterpene saponins °
36 6.24 627.0978 [M + H] - 0.0010289 C29H24O16 1-O-p-(E)-Coumaroyl-4,6-(S)-HHDP-beta-D-glucopyranose Hydrolyzable tannins °
37 7.2 503.3364 [M + H] - 0.0010639 C30H48O6 Tomentosic acid Triterpenoids °
38 3.19 483.077 [M + H] - 0.0016802 C20H20O14 1,6-Digalloyl-beta-Dglucopyranose Tannins °
  1. • Product present
  2. ° Product absent
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