MassBank Record: KZ000208



 L-Glutathione (oxidized form); GC-EI-TOF; MS; x TMS; BP:156 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000208
RECORD_TITLE: L-Glutathione (oxidized form); GC-EI-TOF; MS; x TMS; BP:156
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01505_P000059

CH$NAME: Glutathione disulfide CH$NAME: L-Glutathione (oxidized form) CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C20H32N6O12S2 CH$EXACT_MASS: 612.15196 CH$SMILES: OC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)NC(=O)CC[C@H](N)C(O)=O CH$IUPAC: InChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1 CH$LINK: CAS 27025-41-8 CH$LINK: KEGG C00127 CH$LINK: INCHIKEY YPZRWBKMTBYPTK-BJDJZHNGSA-N CH$LINK: COMPTOX DTXSID5048972
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1696.7 AC$CHROMATOGRAPHY: RETENTION_TIME 789.663 sec
MS$FOCUSED_ION: BASE_PEAK 156 MS$FOCUSED_ION: DERIVATIVE_TYPE x TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0a4i-0900000000-c8147955c6b355f0fc5c PK$NUM_PEAK: 93 PK$PEAK: m/z int. rel.int. 82 8 8 83 9 9 84 39 39 85 24 24 86 30 30 87 10 10 88 3 3 89 3 3 92 1 1 93 2 2 94 3 3 95 2 2 96 3 3 97 3 3 98 9 9 99 11 11 100 21 21 101 6 6 102 6 6 103 10 10 104 2 2 105 4 4 106 1 1 108 2 2 110 6 6 111 3 3 112 32 32 113 10 10 114 16 16 115 10 10 116 3 3 117 12 12 118 2 2 119 4 4 120 1 1 121 1 1 122 3 3 124 1 1 125 1 1 126 5 5 127 3 3 128 3 3 129 5 5 130 2 2 131 21 21 132 6 6 133 37 37 134 6 6 135 3 3 139 2 2 140 31 31 141 10 10 142 8 8 143 2 2 144 1 1 145 1 1 147 195 195 148 32 32 149 19 19 150 2 2 152 1 1 153 1 1 154 9 9 155 6 6 156 999 999 157 138 138 158 49 49 159 5 5 160 1 1 161 1 1 168 2 2 170 3 3 172 1 1 174 3 3 183 1 1 184 1 1 186 2 2 190 1 1 198 1 1 214 9 9 215 2 2 216 1 1 228 2 2 229 1 1 230 60 60 231 14 14 232 5 5 233 1 1 257 1 1 258 46 46 259 9 9 260 4 4 273 1 1 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)