ACCESSION: MSBNK-RIKEN_ReSpect-PS090603
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 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, 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 30

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 179.18

PK$SPLASH: splash10-004i-9000000000-55feaba8c4f152e24f01
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  59.0 7912.0 91
  75.0 25078.0 287
  76.0 87201.0 999
  87.0 5263.0 60
  179.0 3024.0 35
//