MassBank Record: KO002029



 GABA; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002029
RECORD_TITLE: GABA; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., 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$LINK: PUBCHEM SID:3628 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 104 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-9000000000-eca4c5aefca98751a11e PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 36.300 24752.5 2 40.500 29703.0 2 43.100 509901.5 35 45.000 1069308.0 74 58.000 24752.5 2 68.300 311881.5 21 69.100 6292085.5 433 86.200 3841588.0 265 87.200 14504965.0 999 104.200 410891.5 28 //