MassBank Record: PS090601



 S-Glycyl-L-cysteine, Cys-Gly, cysteinylglycine, (R)-2-Amino-3-(aminoacetyl)thiopropanoic Acid, S-(2-Amino-1-oxoethyl)cysteine, Glycine Cysteine Thioester, L-Cysteinylglycine; LC-ESI-QQ; MS2 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PS090601
RECORD_TITLE: S-Glycyl-L-cysteine, Cys-Gly, cysteinylglycine, (R)-2-Amino-3-(aminoacetyl)thiopropanoic Acid, S-(2-Amino-1-oxoethyl)cysteine, Glycine Cysteine Thioester, L-Cysteinylglycine; LC-ESI-QQ; MS2
DATE: 2009.02.09
AUTHORS: Sawada Yand Hirai MY. Plant Science Center, RIKEN, Matsuda Fand Hirai MY. Plant Science Center, RIKEN, 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, C-0166.
COMMENT: PRIMe compound in-house ID C0008
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$NAME: S-Glycyl-L-cysteine CH$NAME: Cys-Gly CH$NAME: cysteinylglycine CH$NAME: (R)-2-Amino-3-(aminoacetyl)thiopropanoic Acid CH$NAME: S-(2-Amino-1-oxoethyl)cysteine CH$NAME: Glycine Cysteine Thioester CH$NAME: L-Cysteinylglycine CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Glycine CH$FORMULA: C5H10N2O3S CH$EXACT_MASS: 178.211 CH$SMILES: C(C(C(=O)NCC(=O)O)N)S CH$IUPAC: InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9) CH$LINK: CAS 19246-18-5 CH$LINK: KEGG C01419 CH$LINK: PUBCHEM CID:439498 CH$LINK: INCHIKEY ZUKPVRWZDMRIEO-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 179.18
PK$SPLASH: splash10-004i-0900000000-39f8b30e91bc3c45483d PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 76.0 10798.0 113 162.0 35296.0 370 178.0 22208.0 233 179.0 95394.0 999 //

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