MSI_000025464

Unreliable

排名分数: 3.36
参考来源: Mus musculus (UBERON:0000913: interstitial fluid)

M/z: 451.0503
Mass Window: 451.0501 ~ 451.0504 (1.6 ppm)

参考注释

4-Methylsulfonyl-3-butenyl glucosinolate_[M]+ (BioDeep_00000226854)
{[(e)-[(4E)-5-methanesulphonyl-1-{[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}pent-4-en-1-ylidene]amino]oxy}sulphonic acid

Formula: C12H21NO11S3 (451.0276716)
SMILES: OC[C@H]1OC(S\C(CC\C=C\S(C)(=O)=O)=N\OS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

4-methylsulfonyl-3-butenyl glucosinolate is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 4-methylsulfonyl-3-butenyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-methylsulfonyl-3-butenyl glucosinolate can be found in radish, which makes 4-methylsulfonyl-3-butenyl glucosinolate a potential biomarker for the consumption of this food product.