ACCESSION: MSBNK-RIKEN_ReSpect-PS074802
RECORD_TITLE: L-gamma-Glutamyl-L-cysteine, L-gamma-Glutamylcysteine, gamma-Glu-Cys, Des-Gly-glutathione Reduced Form, 5-L-Glutamyl-L-cysteine; 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, G0903.
COMMENT: PRIMe compound in-house ID S0146
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$NAME: L-gamma-Glutamyl-L-cysteine
CH$NAME: L-gamma-Glutamylcysteine
CH$NAME: gamma-Glu-Cys
CH$NAME: Des-Gly-glutathione Reduced Form
CH$NAME: 5-L-Glutamyl-L-cysteine
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Cysteine
CH$FORMULA: C₈H₁₄N₂O₅S
CH$EXACT_MASS: 250.274
CH$SMILES: C(CC(=O)NC(CS)C(=O)O)C(C(=O)O)N
CH$IUPAC: InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)
CH$LINK: CAS 636-58-8
CH$LINK: KEGG C00669
CH$LINK: PUBCHEM CID:123938
CH$LINK: INCHIKEY RITKHVBHSGLULN-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 20

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 250.29

PK$SPLASH: splash10-001i-9450000000-d079f77c281ab292ba93
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  83.0 16209.0 363
  84.0 44550.0 999
  85.0 2541.0 57
  102.0 2132.0 48
  129.0 4343.0 97
  130.0 19125.0 429
  152.0 8219.0 184
  204.0 1984.0 44
  218.0 6574.0 147
  219.0 3446.0 77
  226.0 3001.0 67
  227.0 1528.0 34
  232.0 1454.0 33
  233.0 2155.0 48
  240.0 3469.0 78
  241.0 7863.0 176
  249.0 3155.0 71
  250.0 5733.0 129
//