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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)

ACCESSION: KO002029
RECORD_TITLE: GABA; LC-ESI-QQ; MS2; CE:20 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$LINK: PUBCHEM SID:3628
CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6035106

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
//

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