MassBank Record: KO002030



 GABA; 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: KO002030
RECORD_TITLE: GABA; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 104 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014j-9000000000-f0783316e09291749409 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 41.200 514852.0 177 43.100 683169.0 235 45.000 2282180.5 785 45.800 19802.0 7 58.300 39604.0 14 67.900 143564.5 49 69.100 2905943.5 999 86.400 148515.0 51 87.200 1282179.5 441 //