MSI_000017403

Reliable

排名分数: 2.5
参考来源: Vitis vinifera (PO:0009087: mesocarp)

M/z: 528.0242
Mass Window: 528.0241 ~ 528.0243 (0.9 ppm)

参考注释

3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid_[M]+ (BioDeep_00002234405)
3-[(2e)-2-[(sulfooxy)imino]-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}ethyl]indole-1-sulfonic acid

Formula: C16H20N2O12S3 (528.017836)
SMILES: O=S(=O)(O)O/N=C(\Cc1cn(S(=O)(=O)O)c2ccccc12)SC1OC(CO)C(O)C(O)C1O