ACCESSION: MSBNK-RIKEN_ReSpect-PS027204
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, Glutaton; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2008 Plant Science Center, RIKEN
PUBLICATION: Sawada, Y.; Akiyama, K.; Sakata, A.; Kuwahara, A.; Otsuki, H.; Sakurai, T.; Saito, K.; Hirai, M. Y. Widely Targeted Metabolomics Based on Large-Scale MS/MS Data for Elucidating Metabolite Accumulation Patterns in Plants. Plant and Cell Physiology 2008, 50 (1), 37–47. DOI:10.1093/pcp/pcn183
COMMENT: Build 5
COMMENT: Data acquisition and generation is financially supported in part by CREST/JST.
COMMENT: Source compound SIGMA, G1251.
COMMENT: PRIMe compound in-house ID 272
COMMENT: This spectra was automatically generated from the raw data without manual curation of data quality.
COMMENT: The spectral data and services are available to the research and academic community only.
COMMENT: All users must cite follwing literature in publication(s).

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$NAME: Glutaton
CH$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: KEGG C00025
CH$LINK: PUBCHEM CID:33032
CH$LINK: INCHIKEY WHUUTDBJXJRKMK-UHFFFAOYSA-N

AC$INSTRUMENT: TQD, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 148.12

PK$SPLASH: splash10-053r-9000000000-34325079158c900183e4
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  27.0 5769.0 137
  28.0 4004.0 95
  40.0 3773.0 90
  41.0 13731.0 326
  55.0 7584.0 180
  56.0 25491.0 605
  83.0 10653.0 253
  84.0 42106.0 999
//