MassBank Record: KO001788



 Succinic 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: KO001788
RECORD_TITLE: Succinic 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 S004

CH$NAME: Succinate CH$NAME: Succinic acid CH$NAME: Ethylenesuccinic acid CH$NAME: Butanedionic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H6O4 CH$EXACT_MASS: 118.02661 CH$SMILES: OC(=O)CCC(O)=O CH$IUPAC: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) CH$LINK: CAS 110-15-6 CH$LINK: CHEBI 15741 CH$LINK: CHEMPDB SIN CH$LINK: KEGG C00042 CH$LINK: NIKKAJI J2.879G CH$LINK: PUBCHEM SID:3344
AC$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$FOCUSED_ION: PRECURSOR_M/Z 117 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00di-9000000000-7e1f195f111b4eafb4fa PK$NUM_PEAK: 1 PK$PEAK: m/z int. rel.int. 72.600 14851.5 999 //