MassBank Record: KO001703



 Quinolinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001703
RECORD_TITLE: Quinolinic acid; LC-ESI-QQ; MS2; CE:30 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 P094

CH$NAME: 2,3-Pyridinedicarboxylate CH$NAME: Pyridine-2,3-dicarboxylate CH$NAME: Quinolinic acid CH$NAME: Quinolinate CH$NAME: 2,3-Pyridinedicarboxylic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H5NO4 CH$EXACT_MASS: 167.02186 CH$SMILES: OC(=O)c(c1)c(ncc1)C(O)=O CH$IUPAC: InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12) CH$LINK: CAS 89-00-9 CH$LINK: CHEBI 16675 CH$LINK: KEGG C03722 CH$LINK: NIKKAJI J4.298F CH$LINK: PUBCHEM SID:6487
AC$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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 166 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00or-9700000000-c13d2a2f6361459932db PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 73.900 19802.0 19 77.800 1019803.0 999 121.400 39604.0 39 122.400 79208.0 78 166.200 717822.5 703 //