MSI_000046882

Reliable

排名分数: 8.17
参考来源: Homo sapiens (UBERON:0001043: esophagus)

M/z: 888.5544
Mass Window: 888.554 ~ 888.555 (4.0 ppm)

参考注释

Calcium phytate_[M+H]+ (BioDeep_00000228016)
Hexacalcium (1S,2R,3R,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonatooxy)cyclohexyl phosphoric acid

Formula: C6H6Ca6O24P6 (887.5430316000001)
SMILES:

[Ca++].[Ca++].[Ca++].[Ca++].[Ca++].[Ca++].[O-]P([O-])(=O)O[C@H]1[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O

It is used as a food additive .