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. 2014 Nov 27;7:537. doi: 10.1186/s13071-014-0537-z

Table 1.

Proposed compounds from ESI(−)FT-ICR MS analyzes

Suggested compounds Class of natural product EtOAc fraction n-BuOH fraction EtOAc-Pp m/z theoretical m/z measured Molecular formula (M) Error (ppm) DBE
Kaempferol Flavonol + - + 285.04046 285.04042 C15H10O6 0.41 11
Quercetin Flavonol + - + 301.03538 301.03538 C15H10O7 0.25 11
Rhamnetin/isorhamnetin Flavonol + + 315.05103 315.05098 C16H12O7 0.33 11
Quercetin pentoside Flavonol Monoglycoside + + + 447.09329 447.10361 C21H20O11 0.38 12
Quercetin hexoside Flavonol Monoglycoside + + + 463.08820 463.08801 C21H20O12 0.38 12
Tricetin-4′-methoxy-3′-â-D-glucoside1 Flavone Monoglycoside + + + 477.10385 477.10361 C22H22O12 −0.12 12
- Flavan-3-ol dimer + - + 529.15041 529.15024 C30H26O9 0.51 18
- Flavan-3-ol dimer + - + 545.14532 545.14519 C30H26O10 18
- Flavan-3-ol dimer + - - 561.14024 561.08601 C30H26O11 0.45 18
Flavan-3-ol dimer + - - 591.11441 591.09653 C30H24O13 0.40 19
Vicenin-2 kaempferol diglycoside1 Flavone diglycoside - + + 593.15120 593.15104 C27H30O15 −0.08 13
Quercetin dihexoside Flavonol diglycoside - + + 609.14611 609.14591 C27H30O16 0.06 13
- Flavan-3-ol trimer - - + 769.22905 769.22868 C45H38O12 0.08 27
Flavan-3-ol trimer - - + 785.22397 785.22349 C45H38O13 0.08 27

1Purified compounds identified by NMR, DBE - double bond equivalent, + detected, − not detected, Mass error (ppm) = [(m/z measuredm/z theoretical)/m/z theoretical]*106.