MSI_000056418

Reliable

排名分数: 4.75
参考来源: DESI (NOVOCELL:BACKGROUND: blank)

M/z: 515.3586
Mass Window: 515.3585 ~ 515.3588 (1.2 ppm)

参考注释

Butyryl trihexyl citrate_[M+H]+ (BioDeep_00000175300)
1,2,3-Trihexyl 2-(butanoyloxy)propane-1,2,3-tricarboxylic acid

Formula: C28H50O8 (514.35055)
SMILES: CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(=O)CCC)C(=O)OCCCCCC