MassBank Record: KO001256



 2-Oxoadipic 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: KO001256
RECORD_TITLE: 2-Oxoadipic 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 159 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-0900000000-aef94cc19e461712a097 PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 59.000 396040.0 11 74.000 19802.0 1 76.900 19802.0 1 87.000 158416.0 5 96.600 118812.0 3 113.000 89109.0 3 115.100 5054460.5 145 126.100 99010.0 3 141.000 64356.5 2 159.100 34757460.5 999 //