MassBank Record: KO000873



 Glutaric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000873
RECORD_TITLE: Glutaric acid; LC-ESI-QQ; MS2; CE:10 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 G036

CH$NAME: Glutarate CH$NAME: Pentanedioic acid CH$NAME: 1,3-Propanedicarboxylic acid CH$NAME: Glutaric acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H8O4 CH$EXACT_MASS: 132.04226 CH$SMILES: OC(=O)CCCC(O)=O CH$IUPAC: InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9) CH$LINK: CAS 110-94-1 CH$LINK: CHEBI 17859 CH$LINK: CHEMPDB GUA CH$LINK: KEGG C00489 CH$LINK: NIKKAJI J40.077G CH$LINK: PUBCHEM SID:3772
AC$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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 131 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-8eb90c15915f014713ac PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 69.100 123762.5 1 71.100 64356.5 1 87.300 10202980.5 70 88.900 39604.0 1 92.600 24752.5 1 97.100 54455.5 1 99.100 341584.5 2 113.000 3212874.5 22 130.400 5960402.0 41 130.900 144732818.0 999 //