MassBank Record: MSBNK-RIKEN_ReSpect-PT202350
ACCESSION: MSBNK-RIKEN_ReSpect-PT202350
RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, (2S)-2-amino-5-[[(2R)-3-[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid, Oxigluthione, Glutathiol, Glutathione (oxidized form); 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$NAME: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b)
CH$NAME: Glutathione Disulfide
CH$NAME: GSSG
CH$NAME: (2S)-2-amino-5-[[(2R)-3-[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CH$NAME: Oxigluthione
CH$NAME: Glutathiol
CH$NAME: Glutathione (oxidized form)
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Peptide CLASS3 Glutathione
CH$FORMULA: C20H32N6O12S2
CH$EXACT_MASS: 612.636
CH$SMILES: C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N
CH$IUPAC: InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)
CH$LINK: CAS
27025-41-8
CH$LINK: INCHIKEY
YPZRWBKMTBYPTK-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 NEGATIVE
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 611.14416
PK$SPLASH: splash10-08fr-1957008000-f8812fd72d475ecd2693
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
74.0261 143.7 74
99.0567 150.1 77
128.0355 620.1 318
143.0465 910.5 467
160.0079 250.2 128
179.0465 251.4 129
210.0891 228.0 117
254.0793 331.1 170
272.0905 607.6 312
288.0674 113.3 58
304.0622 181.2 93
306.0781 1419.0 728
338.0514 180.9 93
611.1442 1948.0 999
//