Table 1.
Molecular species (Structure) | Chemical formula | Exact m/z, [M–H]– | Detected m/z, [M–H]– | Fragment ions for assignment, m/z |
---|---|---|---|---|
Strictinin (Galloyl-HHDP-glucose) | C27H22O18 | 633.0733 | 633.1 | 481, 463, 301, 275 |
Pedunculagin (bis-HHDP-glucose) | C34H24O22 | 783.0686 | 783.1 | 633, 481, 463, 301, 275 |
Casuarictin (galloyl-bis-HHDP-glucose) | C41H28O26 | 935.0796 | 935.1 | 633, 481, 463, 301, 275 |
Unknown ET | C48H30O30 | 1085.0749 | 1085.1 | 935, 783, 633, 451, 301, 275 |
Davuriicin M1 (bis-HHDP-glucose-galloyl-ellagic acid) | C55H32O34 | 1235.0702 | 1235.1 | 933, 783, 631, 469, 451, 315, 301, 299, 275 |
HHDP, hexahydroxydiphenic acid.
Pedunculagin and davuriicin M1 were tentatively identified.