MassBank Record: KZ000204



 D-Glucuronic acid; GC-EI-TOF; MS; 5 TMS; BP:160 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000204
RECORD_TITLE: D-Glucuronic acid; GC-EI-TOF; MS; 5 TMS; BP:160
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_01503_P000147

CH$NAME: D-Glucuronic acid CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H10O7 CH$EXACT_MASS: 194.04265 CH$SMILES: OC(=O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C(O)1 CH$IUPAC: InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6?/m0/s1 CH$LINK: CAS 6556-12-3 CH$LINK: KEGG C00191 CH$LINK: INCHIKEY AEMOLEFTQBMNLQ-AQKNRBDQSA-N CH$LINK: COMPTOX DTXSID50894097
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 1912.0 AC$CHROMATOGRAPHY: RETENTION_TIME 888.463 sec
MS$FOCUSED_ION: BASE_PEAK 160 MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-03ea-0923000000-4fce316eb9decad52ef3 PK$NUM_PEAK: 287 PK$PEAK: m/z int. rel.int. 82 10 10 83 9 9 84 7 7 85 11 11 86 16 16 87 11 11 88 5 5 89 147 147 90 12 12 91 5 5 94 1 1 97 1 1 98 3 3 99 10 10 100 24 24 101 20 20 102 34 34 103 96 96 104 10 10 105 57 57 106 6 6 107 2 2 110 1 1 111 2 2 112 3 3 113 4 4 114 18 18 115 11 11 116 6 6 117 13 13 118 3 3 119 6 6 120 1 1 126 3 3 127 6 6 128 9 9 129 40 40 130 22 22 131 40 40 132 9 9 133 77 77 134 12 12 135 7 7 136 1 1 138 1 1 139 1 1 140 2 2 141 3 3 142 11 11 143 139 139 144 22 22 145 22 22 146 5 5 147 694 694 148 105 105 149 64 64 150 8 8 151 4 4 152 2 2 153 1 1 154 3 3 155 3 3 156 3 3 157 9 9 158 18 18 159 9 9 160 999 999 161 127 127 162 39 39 163 23 23 164 4 4 165 2 2 166 1 1 168 3 3 169 1 1 170 3 3 171 42 42 172 20 20 173 12 12 174 8 8 175 9 9 176 2 2 177 5 5 178 2 2 179 1 1 182 3 3 183 2 2 184 1 1 185 2 2 186 5 5 187 3 3 188 3 3 189 155 155 190 40 40 191 64 64 192 13 13 193 7 7 194 2 2 195 1 1 196 1 1 197 1 1 198 3 3 199 1 1 200 4 4 201 5 5 202 3 3 203 7 7 204 69 69 205 24 24 206 9 9 207 20 20 208 5 5 209 3 3 210 4 4 211 1 1 212 1 1 213 1 1 214 6 6 215 13 13 216 39 39 217 159 159 218 36 36 219 101 101 220 22 22 221 48 48 222 11 11 223 6 6 224 2 2 225 1 1 226 1 1 227 1 1 228 5 5 229 6 6 230 6 6 231 23 23 232 10 10 233 9 9 234 7 7 235 3 3 236 1 1 237 1 1 238 1 1 239 1 1 240 3 3 241 2 2 242 3 3 243 3 3 244 4 4 245 8 8 246 7 7 247 3 3 248 3 3 249 1 1 250 1 1 251 1 1 252 1 1 253 1 1 254 1 1 255 1 1 256 7 7 257 3 3 258 2 2 259 1 1 260 1 1 261 3 3 262 8 8 263 5 5 264 2 2 265 2 2 266 1 1 268 1 1 269 1 1 270 1 1 271 1 1 272 2 2 273 2 2 274 32 32 275 9 9 276 4 4 277 23 23 278 9 9 279 7 7 280 2 2 281 1 1 282 2 2 283 1 1 284 1 1 285 1 1 286 2 2 287 1 1 288 1 1 289 1 1 290 2 2 291 13 13 292 52 52 293 23 23 294 10 10 295 3 3 296 1 1 302 6 6 303 5 5 304 4 4 305 49 49 306 27 27 307 13 13 308 4 4 309 1 1 314 16 16 315 7 7 316 3 3 317 2 2 318 5 5 319 5 5 320 2 2 321 3 3 322 1 1 323 1 1 328 1 1 330 1 1 331 1 1 332 6 6 333 562 562 334 187 187 335 101 101 336 23 23 337 6 6 338 1 1 344 2 2 345 8 8 346 3 3 347 4 4 348 2 2 349 1 1 351 3 3 352 1 1 353 1 1 356 1 1 357 1 1 358 1 1 360 1 1 361 5 5 362 2 2 363 1 1 364 76 76 365 25 25 366 12 12 367 5 5 368 2 2 369 1 1 372 1 1 373 1 1 374 1 1 376 3 3 377 1 1 379 5 5 380 2 2 381 1 1 388 12 12 389 5 5 390 2 2 391 1 1 392 1 1 393 16 16 394 8 8 395 5 5 396 2 2 397 1 1 404 1 1 405 1 1 407 1 1 408 2 2 409 1 1 418 4 4 419 10 10 420 5 5 421 3 3 422 2 2 423 41 41 424 16 16 425 9 9 426 2 2 435 1 1 446 1 1 447 1 1 450 1 1 451 1 1 478 1 1 //

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