MSI_000038148

Unreliable

排名分数: 2.23
参考来源: Posidonia oceanica (PO:0005020: vascular bundle)

M/z: 423.0641
Mass Window: 423.0641 ~ 423.0641 (none)

参考注释

Glucoiberin_[M]+ (BioDeep_00000003268)
{[(E)-(4-methanesulfinyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}butylidene)amino]oxy}sulfonic acid

Formula: C11H21NO10S3 (423.0327566)
SMILES: C(C/C(=N/OS(=O)(=O)O)/S[C@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)CO)C[S@](=O)C

Glucoiberin belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Glucoiberin is an extremely weak basic (essentially neutral) compound (based on its pKa). Glucoiberin has been detected, but not quantified in, several different foods, such as capers, cauliflowers, cabbages, Brassicas, and Chinese cabbages. This could make glucoiberin a potential biomarker for the consumption of these foods. Glucoiberin is isolated from the seeds of Brassica oleracea and other crucifers. Isolated from seeds of Brassica oleracea and other crucifers. Glucoiberin is found in many foods, some of which are white cabbage, cabbage, broccoli, and brussel sprouts. Acquisition and generation of the data is financially supported in part by CREST/JST.