MSI_000016558

Unreliable

排名分数: 0.58
参考来源: Vitis vinifera (PO:0009086: endocarp)

M/z: 511.1058
Mass Window: 511.1058 ~ 511.1059 (0.5 ppm)

参考注释

[(e)-[(3s)-3-[(e)-benzoyloxy]-1-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene]amino]oxysulfonic acid_[M+NH4]+ (BioDeep_00002146688)
[(e)-[(3s)-3-[(e)-benzoyloxy]-1-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene]amino]oxysulfonic acid

Formula: C18H23NO11S2 (493.0712488)
SMILES: C=C[C@H](C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)OC(=O)c1ccccc1