MSI_000015992

Unreliable

排名分数: 2.88
参考来源: Vitis vinifera (PO:0009085: exocarp)

M/z: 596.1091
Mass Window: 596.109 ~ 596.1092 (0.8 ppm)

参考注释

[(z)-[2-(4-{[(2s,3s,4r,5r,6s)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}phenyl)-1-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid_[M+H-H2O]+ (BioDeep_00002076470)
[(z)-[2-(4-{[(2s,3s,4r,5r,6s)-5-(acetyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}phenyl)-1-{[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethylidene]amino]oxysulfonic acid

Formula: C22H31NO15S2 (613.1135056)
SMILES: CC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2ccc(C/C(=N/OS(=O)(=O)O)S[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cc2)[C@@H](O)[C@H]1O