MSI_000050521

Unreliable

排名分数: 0
参考来源: Mytilus edulis (UBERON:0009120: gill filament)

M/z: 528.0454
Mass Window: 528.0454 ~ 528.0454 (none)

参考注释

Sulfoglucobrassicin_[M]+ (BioDeep_00000006773)
(N-Sulfoindol-3-yl)methylglucosinolate

Formula: C16H20N2O12S3 (528.017836)
SMILES: S([C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)/C(=N/OS(=O)(=O)O)/Cc1cn(c2c1cccc2)S(=O)(=O)O

An indolylmethylglucosinolic acid that is glucobrassicin bearing an additional sulfo group on the indole nitrogen.