MassBank Record: MSBNK-RIKEN_ReSpect-PT107480
ACCESSION: MSBNK-RIKEN_ReSpect-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: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.
CH$NAME: (2S)-2-amino-5-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
CH$NAME: L-gamma-Glutamyl-L-cysteine
CH$NAME: L-gamma-Glutamylcysteine
CH$NAME: gamma-Glu-Cys
CH$NAME: Des-Gly-glutathione Reduced Form
CH$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
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: 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$FOCUSED_ION: PRECURSOR_M/Z 251.07014
PK$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
//