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MassBank Record: KO001528

2-Oxoglutaric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO001528
RECORD_TITLE: 2-Oxoglutaric 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 O002

CH$NAME: 2-Oxoglutarate
CH$NAME: 2-Ketoglutaric acid
CH$NAME: alpha-Ketoglutaric acid
CH$NAME: Oxoglutaric acid
CH$NAME: 2-Oxoglutaric acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H6O5
CH$EXACT_MASS: 146.02152
CH$SMILES: OC(=O)CCC(=O)C(O)=O
CH$IUPAC: InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
CH$LINK: CAS 328-50-7
CH$LINK: CHEBI 30915
CH$LINK: CHEMPDB AKG
CH$LINK: KEGG C00026
CH$LINK: NIKKAJI J11.847H
CH$LINK: PUBCHEM SID:3328
CH$LINK: INCHIKEY KPGXRSRHYNQIFN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5033179

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$FOCUSED_ION: PRECURSOR_M/Z 145
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0002-0900000000-c3c62f83bff99f44f7ab
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  57.000 207921.0 12
  88.900 39604.0 2
  101.100 7366344.0 427
  127.000 89109.0 5
  145.100 17247542.0 999
//

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