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MassBank Record: MSBNK-RIKEN_ReSpect-PT103890

4-aminobutanoic acid, Piperidinic acid, 4-Aminobutanoic acid, Piperidic acid, 4-Aminobutylate, 4-Aminobutyric acid, Aminalon, GABA, gamma-Amino-n-butyric acid; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT103890
RECORD_TITLE: 4-aminobutanoic acid, Piperidinic acid, 4-Aminobutanoic acid, Piperidic acid, 4-Aminobutylate, 4-Aminobutyric acid, Aminalon, GABA, gamma-Amino-n-butyric acid; LC-ESI-QTOF; MS2
DATE: 2008.07.25
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 4-aminobutanoic acid
CH$NAME: Piperidinic acid
CH$NAME: 4-Aminobutanoic acid
CH$NAME: Piperidic acid
CH$NAME: 4-Aminobutylate
CH$NAME: 4-Aminobutyric acid
CH$NAME: Aminalon
CH$NAME: GABA
CH$NAME: gamma-Amino-n-butyric acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Other CLASS3 GABA
CH$FORMULA: C4H9NO2
CH$EXACT_MASS: 103.121
CH$SMILES: C(CC(=O)O)CN
CH$IUPAC: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 104.07113

PK$SPLASH: splash10-000i-9000000000-7d4636efbc4e5d75872e
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  69.0348 60.77 195
  86.0609 73.8 237
  87.045 311.5 999
  104.0711 46.37 149
//

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