MSI_000038408

Unreliable

排名分数: 2.19
参考来源: Posidonia oceanica (PO:0005059: root endodermis)

M/z: 468.0817
Mass Window: 468.0817 ~ 468.0817 (none)

参考注释

Glucoalyssin_[M+NH4]+ (BioDeep_00000226850)
(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-({6-methanesulphinyl-1-[(sulphonatooxy)imino]hexyl}sulphanyl)oxane-3,4,5-triol

Formula: C13H24NO10S3 (450.0562304)
SMILES: CS(=O)CCCCCC(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS([O-])(=O)=O

Glucoalyssin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Glucoalyssin is soluble (in water) and an extremely strong acidic compound (based on its pKa). Glucoalyssin can be found in chinese cabbage and turnip, which makes glucoalyssin a potential biomarker for the consumption of these food products.