MassBank Record: KO001339



 Methylmalonic 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: KO001339
RECORD_TITLE: Methylmalonic 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 M014

CH$NAME: Methylmalonate CH$NAME: Methylmalonic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H6O4 CH$EXACT_MASS: 118.02661 CH$SMILES: OC(=O)C(C)C(O)=O CH$IUPAC: InChI=1S/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) CH$LINK: CAS 516-05-2 CH$LINK: CHEBI 30860 CH$LINK: CHEMPDB DXX CH$LINK: KEGG C02170 CH$LINK: NIKKAJI J6.302I CH$LINK: PUBCHEM SID:5245
AC$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$FOCUSED_ION: PRECURSOR_M/Z 117 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-9000000000-0f655174050263224e67 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 34.700 49505.0 3 55.400 326733.0 23 58.900 108911.0 8 70.700 29703.0 2 73.000 14277242.0 999 74.900 34653.5 2 116.800 356436.0 25 //