MassBank Record: KO001924



 Tartronic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001924
RECORD_TITLE: Tartronic acid; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 119 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9000000000-3b2f9b0a130dd49117a1 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 36.800 44554.5 1 41.900 89109.0 2 45.000 99010.0 2 46.800 579208.5 14 57.000 12331695.5 293 59.000 42084200.5 999 73.100 1143565.5 27 75.100 12599022.5 299 96.200 282178.5 7 118.800 2881191.0 68 //