MassBank Record: KZ000225



 L-Glutathione (reduced 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: KZ000225
RECORD_TITLE: L-Glutathione (reduced 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_01506_P000048

CH$NAME: L-Glutathione CH$NAME: L-Glutathione (reduced form) CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H17N3O6S CH$EXACT_MASS: 307.08381 CH$SMILES: OC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(O)=O CH$IUPAC: InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1 CH$LINK: CAS 70-18-8 CH$LINK: KEGG C00051 CH$LINK: INCHIKEY RWSXRVCMGQZWBV-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID6023101
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 1696.6 AC$CHROMATOGRAPHY: RETENTION_TIME 789.613 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-0900000000-5841845f736f9a667622 PK$NUM_PEAK: 89 PK$PEAK: m/z int. rel.int. 82 8 8 83 9 9 84 39 39 85 25 25 86 29 29 87 9 9 88 3 3 89 3 3 92 1 1 93 1 1 94 3 3 95 2 2 96 3 3 97 4 4 98 8 8 99 10 10 100 20 20 101 6 6 102 6 6 103 8 8 104 1 1 105 4 4 106 1 1 107 1 1 108 2 2 110 7 7 111 3 3 112 31 31 113 10 10 114 15 15 115 9 9 116 3 3 117 12 12 118 2 2 119 3 3 121 1 1 122 3 3 124 1 1 125 1 1 126 4 4 127 3 3 128 3 3 129 5 5 130 1 1 131 20 20 132 5 5 133 37 37 134 6 6 135 3 3 139 2 2 140 30 30 141 10 10 142 8 8 143 2 2 144 1 1 147 194 194 148 32 32 149 18 18 150 2 2 153 1 1 154 9 9 155 6 6 156 999 999 157 138 138 158 49 49 159 4 4 160 1 1 161 1 1 168 2 2 170 2 2 172 2 2 174 2 2 183 1 1 186 1 1 190 1 1 214 9 9 215 2 2 216 1 1 228 2 2 229 1 1 230 59 59 231 13 13 232 5 5 233 1 1 257 1 1 258 45 45 259 9 9 260 4 4 273 1 1 //

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