ACCESSION: MSBNK-RIKEN_ReSpect-PT102720
RECORD_TITLE: L-Glutamate, Glu, 1-Aminopropane-1,3-dicarboxylic acid, Glutacid, Glusate, L-1-Aminopropane-1,3-dicarboxylic Acid, L-Glutamic acid, Aciglut, Glutaminol, (S)-2-Aminopentanedioic acid, alpha-Glutamic acid, L-alpha-Aminoglutaric Acid, (2S)-2-aminopentanedioic acid, Glutaton; 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$NAME: L-Glutamate
CH$NAME: Glu
CH$NAME: 1-Aminopropane-1,3-dicarboxylic acid
CH$NAME: Glutacid
CH$NAME: Glusate
CH$NAME: L-1-Aminopropane-1,3-dicarboxylic Acid
CH$NAME: L-Glutamic acid
CH$NAME: Aciglut
CH$NAME: Glutaminol
CH$NAME: (S)-2-Aminopentanedioic acid
CH$NAME: alpha-Glutamic acid
CH$NAME: L-alpha-Aminoglutaric Acid
CH$NAME: (2S)-2-aminopentanedioic acid
CH$NAME: Glutaton
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Glutamic acid
CH$FORMULA: C₅H₉NO₄
CH$EXACT_MASS: 147.13
CH$SMILES: C(CC(=O)O)C(C(=O)O)N
CH$IUPAC: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
CH$LINK: CAS 56-86-0
CH$LINK: INCHIKEY WHUUTDBJXJRKMK-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 148.06096

PK$SPLASH: splash10-001i-9500000000-7d12bd107af03fef610f
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  84.0444 772.6 999
  102.0552 188.1 243
  130.0502 187.7 243
  148.061 86.1 111
//