MSI_000017542

Reliable

排名分数: 2.12
参考来源: Vitis vinifera (PO:0009087: mesocarp)

M/z: 435.0688
Mass Window: 435.0688 ~ 435.0688 (0.1 ppm)

参考注释

5-Methylthiopentylglucosinolate_[M]+ (BioDeep_00000003694)
({[6-(methylsulfanyl)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene]amino}oxy)sulfonic acid

Formula: C13H25NO9S3 (435.06914)
SMILES: C(CCC/C(=N/OS(=O)(=O)O)/S[C@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)CO)CSC

5-methylthiopentylglucosinolate is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 5-methylthiopentylglucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 5-methylthiopentylglucosinolate can be found in a number of food items such as kale, garden cress, oxheart cabbage, and coconut, which makes 5-methylthiopentylglucosinolate a potential biomarker for the consumption of these food products.