ACCESSION: MSBNK-RIKEN_ReSpect-PS074804
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 40

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

PK$SPLASH: splash10-001i-9100000000-4086d1256cda708b1b9a
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  56.0 2964.0 37
  73.0 6951.0 87
  74.0 13993.0 175
  83.0 9479.0 118
  84.0 79920.0 999
  120.0 3940.0 49
  122.0 2662.0 33
  130.0 3782.0 47
  140.0 2894.0 36
  186.0 2543.0 32
//