MassBank Record: KO001925



 Tartronic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001925
RECORD_TITLE: Tartronic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T050

CH$NAME: Tartronate CH$NAME: Hydroxymalonic acid CH$NAME: Tartronic acid CH$NAME: Hydroxymalonate CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H4O5 CH$EXACT_MASS: 120.00587 CH$SMILES: OC(C(O)=O)C(O)=O CH$IUPAC: InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8) CH$LINK: CAS 80-69-3 CH$LINK: CHEBI 16513 CH$LINK: KEGG C02287 CH$LINK: NIKKAJI J4.253F CH$LINK: PUBCHEM SID:5343
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 119 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9000000000-3af4b557f3ccb85e572e PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 31.800 14851.5 1 36.600 14851.5 1 42.200 54455.5 4 43.100 29703.0 2 45.100 49505.0 3 46.900 79208.0 5 57.300 3232676.5 218 59.000 14792094.0 999 72.700 158416.0 11 74.400 39604.0 3 75.200 381188.5 26 79.500 24752.5 2 95.900 539604.5 36 119.300 188119.0 13 //