MassBank Record: KZ000209



 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: KZ000209
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_05452_P000041

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$CHROMATOGRAPHY: RETENTION_INDEX 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 786.462 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-0910000000-3e6195d480fbfe87b449 PK$NUM_PEAK: 262 PK$PEAK: m/z int. rel.int. 82 8 8 83 7 7 84 39 39 85 21 21 86 27 27 87 9 9 88 3 3 89 15 15 90 2 2 92 1 1 93 2 2 94 2 2 95 1 1 96 4 4 97 4 4 98 9 9 99 30 30 100 22 22 101 5 5 102 6 6 103 9 9 104 2 2 105 9 9 106 1 1 107 1 1 108 2 2 109 1 1 110 7 7 111 4 4 112 30 30 113 10 10 114 16 16 115 10 10 116 3 3 117 13 13 118 3 3 119 4 4 120 1 1 121 1 1 122 4 4 123 1 1 124 2 2 125 2 2 126 6 6 127 3 3 128 4 4 129 4 4 130 2 2 131 21 21 132 6 6 133 37 37 134 6 6 135 4 4 136 1 1 137 1 1 139 2 2 140 34 34 141 10 10 142 9 9 143 2 2 144 2 2 145 1 1 146 1 1 147 207 207 148 33 33 149 21 21 150 2 2 151 1 1 152 1 1 153 1 1 154 10 10 155 7 7 156 999 999 157 137 137 158 49 49 159 6 6 160 2 2 161 1 1 162 1 1 163 1 1 164 1 1 165 1 1 166 1 1 167 1 1 168 3 3 169 1 1 170 3 3 171 3 3 172 3 3 173 1 1 174 4 4 175 1 1 176 1 1 178 1 1 182 1 1 183 1 1 184 1 1 185 1 1 186 2 2 187 1 1 188 1 1 189 1 1 190 2 2 191 1 1 194 1 1 195 1 1 196 1 1 197 1 1 198 1 1 200 1 1 202 1 1 203 3 3 204 1 1 205 1 1 207 1 1 208 1 1 209 1 1 210 1 1 212 1 1 213 1 1 214 10 10 215 3 3 216 1 1 219 1 1 220 1 1 221 1 1 222 1 1 224 1 1 226 1 1 227 1 1 228 4 4 229 2 2 230 63 63 231 13 13 232 7 7 233 2 2 234 1 1 235 1 1 236 1 1 240 1 1 241 1 1 242 1 1 243 1 1 244 1 1 245 1 1 246 1 1 247 1 1 248 1 1 249 1 1 252 1 1 256 1 1 257 1 1 258 49 49 259 11 11 260 5 5 261 1 1 262 1 1 264 1 1 265 1 1 266 1 1 269 1 1 270 1 1 271 1 1 272 1 1 273 2 2 274 1 1 275 1 1 277 1 1 285 1 1 289 1 1 291 1 1 297 1 1 302 1 1 305 1 1 306 1 1 307 1 1 308 1 1 309 1 1 311 1 1 314 1 1 315 1 1 317 1 1 318 1 1 319 1 1 320 1 1 322 1 1 323 1 1 324 1 1 326 1 1 328 1 1 335 1 1 338 1 1 340 1 1 341 1 1 342 1 1 344 1 1 345 1 1 346 1 1 347 1 1 348 1 1 349 1 1 350 1 1 351 1 1 352 1 1 353 1 1 354 1 1 357 1 1 358 1 1 359 1 1 360 1 1 362 1 1 363 1 1 364 1 1 366 1 1 369 1 1 370 1 1 371 1 1 372 1 1 374 1 1 375 1 1 378 1 1 379 1 1 381 1 1 382 1 1 385 1 1 386 1 1 387 1 1 388 1 1 389 1 1 390 1 1 391 1 1 392 1 1 393 1 1 394 1 1 395 1 1 396 1 1 397 1 1 398 1 1 399 1 1 400 1 1 404 1 1 412 1 1 415 1 1 417 1 1 419 1 1 420 1 1 429 1 1 435 1 1 444 1 1 448 1 1 452 1 1 454 1 1 458 1 1 463 1 1 472 1 1 480 1 1 482 1 1 485 1 1 494 1 1 495 1 1 497 1 1 500 1 1 //

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