MSI_000006504

Reliable

排名分数: 8.79
参考来源: Rattus norvegicus (UBERON:0004358: caput epididymis)

M/z: 972.6374
Mass Window: 972.6371 ~ 972.6379 (3.5 ppm)

参考注释

Surfactin A_[M+H-2H2O]+ (BioDeep_00000184082)
3-[9-(Carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-25-(8-methylnonyl)-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-12-(propan-2-yl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoate

Formula: C51H89N7O13 (1007.6518024000001)
SMILES:

CC(C)CCCCCCCC1CC(=O)NC(CCC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(O)=O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O1