MSI_000039260

Unreliable

排名分数: 0.81
参考来源: Posidonia oceanica (PO:0005059: root endodermis)

M/z: 452.0668
Mass Window: 452.0668 ~ 452.0668 (none)

参考注释

Glucoalyssin_[M+H]+ (BioDeep_00000003509)
5-Methylsulfinylpentyl glucosinolate

Formula: C13H25NO10S3 (451.064055)
SMILES: CS(=O)CCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O

A thia-glucosinolic acid that is glucoberteroin in which the sulfur atom of the methyl thioether group has been oxidised to the corresponding sulfoxide. Acquisition and generation of the data is financially supported by the Max-Planck-Society