MassBank Record: PT107480

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(2S)-2-amino-5-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid, L-gamma-Glutamyl-L-cysteine, L-gamma-Glutamylcysteine, gamma-Glu-Cys, Des-Gly-glutathione Reduced Form, 5-L-Glutamyl-L-cysteine; LC-ESI-QTOF; MS2

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

ACCESSION: PT107480
RECORD_TITLE: (2S)-2-amino-5-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid, L-gamma-Glutamyl-L-cysteine, L-gamma-Glutamylcysteine, gamma-Glu-Cys, Des-Gly-glutathione Reduced Form, 5-L-Glutamyl-L-cysteine; 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: Acquisition and generation of the data is financially supported in part by CREST/JST.
COMMENT: Build 1 2009/06/24

CH$NAME: gamma-Glu-Cys
CH$NAME: L-gamma-Glutamyl-L-cysteine
CH$NAME: L-gamma-Glutamylcysteine
CH$NAME: Des-Gly-glutathione Reduced Form
CH$NAME: 5-L-Glutamyl-L-cysteine
CH$NAME: (2S)-2-amino-5-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Cysteine
CH$FORMULA: C8H14N2O5S
CH$EXACT_MASS: 250.2740000000000009094947017729282379150390625
CH$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: INCHIKEY RITKHVBHSGLULN-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$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 251.07014

PK$SPLASH: splash10-001i-9510000000-5f29ca903abe05256c83
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  74.0229 7.429 90
  84.0455 82.42 999
  85.0449 6.891 84
  120.0135 6.746 82
  122.029 9.162 111
  130.0507 19.48 236
  151.986 9.318 113
  186.0245 9.09 110
  188.0435 4.171 51
  241.0334 10.08 122
  251.0701 4.29 52
//