MassBank MassBank Search Contents Download

MassBank Record: PT109060

S-Glycyl-L-cysteine, 2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetic acid, Cys-Gly, cysteinylglycine, (R)-2-Amino-3-(aminoacetyl)thiopropanoic Acid, S-(2-Amino-1-oxoethyl)cysteine, Glycine Cysteine Thioester, L-Cysteinylglycine; LC-ESI-QTOF; MS2

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

ACCESSION: PT109060
RECORD_TITLE: S-Glycyl-L-cysteine, 2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetic acid, Cys-Gly, cysteinylglycine, (R)-2-Amino-3-(aminoacetyl)thiopropanoic Acid, S-(2-Amino-1-oxoethyl)cysteine, Glycine Cysteine Thioester, L-Cysteinylglycine; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: S-Glycyl-L-cysteine
CH$NAME: 2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetic acid
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: INCHIKEY ZUKPVRWZDMRIEO-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 179.04901

PK$SPLASH: splash10-004i-9700000000-6fba6043a24b724b037e
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  58.9947 13.14 94
  76.0217 139.0 999
  96.8967 22.7 163
  116.0155 29.37 211
  137.9226 40.34 290
  144.0106 17.36 125
  162.0198 38.54 277
  179.049 10.66 77
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze