MassBank Record: KO001337



 Malonic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001337
RECORD_TITLE: Malonic acid; LC-ESI-QQ; MS2; CE:50 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 M012

CH$NAME: Malonate CH$NAME: Malonic acid CH$NAME: Propanedioic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H4O4 CH$EXACT_MASS: 104.01096 CH$SMILES: OC(=O)CC(O)=O CH$IUPAC: InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) CH$LINK: CAS 141-82-2 CH$LINK: CHEBI 30794 CH$LINK: CHEMPDB MLA CH$LINK: KEGG C00383 CH$LINK: NIKKAJI J2.541K CH$LINK: PUBCHEM SID:3673
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 103 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-9000000000-af4dccf21d68110099a1 PK$NUM_PEAK: 1 PK$PEAK: m/z int. rel.int. 41.100 836634.5 999 //