MassBank Record: KO002032



 GABA; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002032
RECORD_TITLE: GABA; LC-ESI-QQ; MS2; CE:50 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 A002

CH$NAME: GABA CH$NAME: 4-Aminobutanoate CH$NAME: 4-Aminobutyrate CH$NAME: gamma-Aminobutyric acid CH$NAME: 4-Aminobutanoic acid CH$NAME: 4-Aminobutylate CH$NAME: 4-Aminobutyric acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H9NO2 CH$EXACT_MASS: 103.06333 CH$SMILES: NCCCC(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7) CH$LINK: CAS 56-12-2 CH$LINK: CHEBI 30566 CH$LINK: KEGG C00334 CH$LINK: NIKKAJI J1.375G CH$LINK: PUBCHEM SID:3628
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 104 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0005-9000000000-8b48126992d7fa242636 PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 39.200 113861.5 250 41.300 153465.5 337 43.000 84158.5 185 45.000 455446.0 999 //