MSI_000033061

Unreliable

排名分数: 2.46
参考来源: Posidonia oceanica (PO:0005352: xylem)

M/z: 478.0869
Mass Window: 478.0869 ~ 478.0869 (none)

参考注释

4-Methoxyglucobrassicin_[M]+ (BioDeep_00000228435)
{[(Z)-[2-(4-methoxy-1H-indol-3-yl)-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}ethylidene]amino]oxy}sulphonic acid

Formula: C17H22N2O10S2 (478.0715832)
SMILES: COC1=CC=CC2=C1C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O

4-methoxyglucobrassicin 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-methoxyglucobrassicin is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-methoxyglucobrassicin can be found in a number of food items such as broccoli, chinese mustard, chinese cabbage, and capers, which makes 4-methoxyglucobrassicin a potential biomarker for the consumption of these food products.