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. 2018 Feb 5;17:68. doi: 10.1186/s12936-018-2223-7

Table 3.

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

Peak no RT (min) m/z MF Δ Da Putative ID Found in Chemical class
1 2.13 468.997 [M−H] C21H10O13 0.007 Flavogallonic acid T. catappa (Combretaceae) Tannins
2 3.11 541.0167 C30H18O12 0.006 Unknown
3 3.4 603.0075 [M+H] + C 28 H 10 O 16 0.005 Terminalin T. oblongata (Combretaceae) Tannins
4 3.66 303.0150 [M+H]+ C14H6O8 0.001 Ellagic acid Many plants Tannins
5 4.55 461.0644 [M−H] C21H18O12 0.008 Ellagic acid; 2,8-di-me ether, 3-O-β-d-xylopyranoside T. superba (Combretaceae) Tannins
6 4.75 505.3547 [M+H] + C 30 H 48 O 6 0.003 Oleaterminaloic acid C T. arjuna (Combretaceae) Triterpenoids
7 4.9 519.3235 [M−H] C30H48O7 0.009 Bellericagenin B T. bellerica; T. arjuna (Combretaceae) Triterpenoids
8 5.16 695.1531 [M−H] C 34 H 30 O 15 0.009 3,4,5-Tri- O -caffeoylquinic acid Many plants Lignans
9 5.89 501.3218 [M−H] C30H48O6 0.0003 Sericic acid Many Terminalia sp. Triterpenoids
10 6.01 343.0411 [M−H] C 17 H 12 O 8 0.005 Ellagic acid; 2,3,7-tri-me ether Many plants Tannins
11 6.65 487.3343 [M+H] + C 30 H 46 O 5 0.0003 Oleaterminaloic acid B T. arjuna (Combretaceae) Triterpenoids

Major peaks detected by CAD are in bold