ACCESSION: MSBNK-RIKEN_ReSpect-PT107580
RECORD_TITLE: DL-2-Aminobutyric acid, Abu, DL-alpha-Aminobutanoic acid , (2S)-2-aminobutanoic acid, DL-2-Aminobutanoic acid, Butyrine, AABA, DL-2-Amino-n-butyric acid; LC-ESI-QTOF; MS2
DATE: 2008.07.28
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$NAME: DL-2-Aminobutyric acid
CH$NAME: Abu
CH$NAME: DL-alpha-Aminobutanoic acid
CH$NAME: (2S)-2-aminobutanoic acid
CH$NAME: DL-2-Aminobutanoic acid
CH$NAME: Butyrine
CH$NAME: AABA
CH$NAME: DL-2-Amino-n-butyric acid
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Carboxylic acid CLASS3 Butyric acid
CH$FORMULA: C₄H₉NO₂
CH$EXACT_MASS: 103.121
CH$SMILES: CCC(C(=O)O)N
CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
CH$LINK: CAS 80-60-4
CH$LINK: INCHIKEY QWCKQJZIFLGMSD-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$SPLASH: splash10-0a4i-9200000000-742b1ece9b3e2a0c7f4e
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  58.0664 102.9 999
  99.511 10.17 99
  104.0711 29.18 283
//