MassBank Record: KO001259



 2-Oxoadipic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001259
RECORD_TITLE: 2-Oxoadipic acid; LC-ESI-QQ; MS2; CE:40 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 K009

CH$NAME: 2-Oxoadipate CH$NAME: 2-Oxoadipic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H8O5 CH$EXACT_MASS: 160.03717 CH$SMILES: OC(=O)CCCC(=O)C(O)=O CH$IUPAC: InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11) CH$LINK: CAS 3184-35-8 CH$LINK: CHEBI 15753 CH$LINK: KEGG C00322 CH$LINK: NIKKAJI J39.063A CH$LINK: PUBCHEM SID:3616
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 159 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4l-9000000000-1e566f572b14692461f2 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 41.300 232673.5 245 43.100 242574.5 255 59.200 950496.0 999 69.200 79208.0 83 96.900 14851.5 16 //