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MassBank Record: PS090501

gamma-Glu-Cys, gamma-L-Glutamyl-L-cysteine, gamma-glutamylcysteine, 5-L-Glutamyl-L-cysteine; LC-ESI-QQ; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: PS090501
RECORD_TITLE: gamma-Glu-Cys, gamma-L-Glutamyl-L-cysteine, gamma-glutamylcysteine, 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 KOHJIN, .
COMMENT: PRIMe compound in-house ID C0007
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$NAME: gamma-Glu-Cys
CH$NAME: gamma-L-Glutamyl-L-cysteine
CH$NAME: gamma-glutamylcysteine
CH$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 686-58-8
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 10

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 251.18

PK$SPLASH: splash10-00di-0900000000-970154df2a1ed9a84a2f
PK$NUM_PEAK: 1
PK$PEAK: m/z int. rel.int.
  122.0 203218.0 999
//

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