MSI_000017338

Reliable

排名分数: 2.76
参考来源: Vitis vinifera (PO:0009087: mesocarp)

M/z: 338.0329
Mass Window: 338.0329 ~ 338.033 (0.2 ppm)

参考注释

Gluconapin_[M+H-2H2O]+ (BioDeep_00000003269)
{[(E)-(1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}pent-4-en-1-ylidene)amino]oxy}sulfonic acid

Formula: C11H19NO9S2 (373.0501204)
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

Gluconapin, also known as 3-butenyl glucosinolate, belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Gluconapin is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, gluconapin has been detected, but not quantified in, several different foods, such as horseradish, swedes, cabbages, and Chinese mustards. This could make gluconapin a potential biomarker for the consumption of these foods. Gluconapin is isolated from rapeseeds and many other Brassica species. Isolated from rape seeds and many other Brassica subspecies Gluconapin is found in many foods, some of which are chinese mustard, white cabbage, horseradish, and brassicas. Acquisition and generation of the data is financially supported in part by CREST/JST.