MSI_000046754

Reliable

排名分数: 3.52
参考来源: Mus musculus (UBERON:0002107: liver)

M/z: 513.3345
Mass Window: 513.3345 ~ 513.3345 (none)

参考注释

Chenodeoxycholylcysteine_[M+NH4]+ (BioDeep_00000171628)
2-(4-{5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl}pentanamido)-3-sulfanylpropanoic acid

Formula: C27H45NO5S (495.30182800000006)
SMILES: CC(CCC(=O)NC(CS)C(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C