MSI_000054148

Unreliable

排名分数: 3.34
参考来源: MALDI - CHCA (NOVOCELL:BACKGROUND: blank)

M/z: 640.0231
Mass Window: 640.0231 ~ 640.0233 (0.8 ppm)

参考注释

(2s,3s,4s,5r,6s)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxy}-4-hydroxy-3,5-bis(sulfooxy)oxane-2-carboxylic acid_[M+NH4]+ (BioDeep_00002225057)
(2s,3s,4s,5r,6s)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxy}-4-hydroxy-3,5-bis(sulfooxy)oxane-2-carboxylic acid

Formula: C21H18O18S2 (621.9934568000001)
SMILES: O=C(O)[C@H]1O[C@@H](Oc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](OS(=O)(=O)O)[C@@H](O)[C@@H]1OS(=O)(=O)O