MSI_000006260

Reliable

排名分数: 5.01
参考来源: Rattus norvegicus (UBERON:0004358: caput epididymis)

M/z: 564.2737
Mass Window: 564.2736 ~ 564.2737 (0.3 ppm)

参考注释

Pentanedioic acid, 3-((((3R,5R)-3-butyl-3-ethyl-2,3,4,5-tetrahydro-7-methoxy-1,1-dioxido-5-phenyl-1,4-benzothiazepin-8-yl)methyl)amino)-_[M+NH4]+ (BioDeep_00000179605)
3-{[(3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-2,3,4,5-tetrahydro-1lambda6,4-benzothiazepin-8-yl)methyl]amino}pentanedioic acid

Formula: C28H38N2O7S (546.2399598)
SMILES: CCCCC1(CC)CS(=O)(=O)C2=CC(CNC(CC(O)=O)CC(O)=O)=C(OC)C=C2C(N1)C1=CC=CC=C1