ACCESSION: MSBNK-RIKEN_ReSpect-PS027401
RECORD_TITLE: L-Glutathione (reduced form), gamma-Glu-Cys-Gly, GSH, gamma-L-Glutamyl-L-cysteinyl-glycine; 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, G4251.
COMMENT: PRIMe compound in-house ID 274
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$NAME: L-Glutathione (reduced form)
CH$NAME: gamma-Glu-Cys-Gly
CH$NAME: GSH
CH$NAME: gamma-L-Glutamyl-L-cysteinyl-glycine
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Peptide CLASS3 Oligopeptide
CH$FORMULA: C₁₀H₁₇N₃O₆S
CH$EXACT_MASS: 307.326
CH$SMILES: C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
CH$IUPAC: InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)
CH$LINK: CAS 70-18-8
CH$LINK: KEGG C00051
CH$LINK: PUBCHEM CID:124886
CH$LINK: INCHIKEY RWSXRVCMGQZWBV-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 10

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 307.35

PK$SPLASH: splash10-0a4i-0009000000-3b002d4384b323a6bf42
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  306.0 190124.0 203
  307.0 934869.0 999
  308.0 114119.0 122
//