MassBank Record: OUF00216



 D-Sorbitol 6-phosphate; GC-EI-TOF; MS; n TMS; RT:893.001 sec 
Mass Spectrum
Chemical Structure
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ACCESSION: OUF00216
RECORD_TITLE: D-Sorbitol 6-phosphate; GC-EI-TOF; MS; n TMS; RT:893.001 sec
DATE: 2016.01.19 (2010.05.20, 2013.04.24)
AUTHORS: Tsujimoto Yengineering department, Osaka Univ., Tsugawa Hengineering department, Osaka Univ., Bamba Tengineering department, Osaka Univ., Fukusaki Eengineering department, Osaka Univ., engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: D-Sorbitol-6-phosphate CH$NAME: D-Sorbitol 6-phosphate CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H15O9P CH$EXACT_MASS: 262.04537 CH$SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1 CH$LINK: CAS 20479-58-7 CH$LINK: CHEBI 17044 CH$LINK: CHEMSPIDER 134245 CH$LINK: PUBCHEM 152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N
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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500 AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min) AC$CHROMATOGRAPHY: RETENTION_INDEX 2338.428 AC$CHROMATOGRAPHY: RETENTION_TIME 893.001 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-00kb-0943000000-fdce3bd666a43e73a44c PK$NUM_PEAK: 278 PK$PEAK: m/z int. rel.int. 85 23 23 86 6 6 87 30 30 88 17 17 89 79 79 90 11 11 91 13 13 92 4 4 93 6 6 94 3 3 95 3 3 96 3 3 97 17 17 98 6 6 99 25 25 100 4 4 101 208 208 102 31 31 103 398 398 104 42 42 105 36 36 106 6 6 107 10 10 108 1 1 109 6 6 110 1 1 111 20 20 112 3 3 113 36 36 114 5 5 115 57 57 116 112 112 117 328 328 118 38 38 119 46 46 120 6 6 121 15 15 122 1 1 123 6 6 125 5 5 126 2 2 127 20 20 128 7 7 129 315 315 130 45 45 131 115 115 132 20 20 133 311 311 134 45 45 135 66 66 136 8 8 137 22 22 138 2 2 139 5 5 140 3 3 141 16 16 142 13 13 143 76 76 144 11 11 145 19 19 146 4 4 147 999 999 148 166 166 149 130 130 150 18 18 151 34 34 152 4 4 153 11 11 154 5 5 155 30 30 156 10 10 157 109 109 158 16 16 159 19 19 160 3 3 161 11 11 162 2 2 163 24 24 164 4 4 165 10 10 166 3 3 167 22 22 168 4 4 169 35 35 170 14 14 171 8 8 172 1 1 173 7 7 174 3 3 175 21 21 176 6 6 177 18 18 178 4 4 179 9 9 180 3 3 181 28 28 182 10 10 183 57 57 184 10 10 185 9 9 186 2 2 187 6 6 188 2 2 189 71 71 190 23 23 191 139 139 192 30 30 193 53 53 194 10 10 195 29 29 196 7 7 197 8 8 198 2 2 199 2 2 200 2 2 201 6 6 202 3 3 203 26 26 204 146 146 205 176 176 206 44 44 207 80 80 208 18 18 209 16 16 210 4 4 211 156 156 212 27 27 213 16 16 214 4 4 215 41 41 216 12 12 217 290 290 218 110 110 219 40 40 220 10 10 221 28 28 222 7 7 223 5 5 224 1 1 225 50 50 226 10 10 227 36 36 228 11 11 229 23 23 230 27 27 231 50 50 232 14 14 233 6 6 234 1 1 235 1 1 237 1 1 239 5 5 240 2 2 241 6 6 242 2 2 243 25 25 244 17 17 245 7 7 246 4 4 247 3 3 248 1 1 249 1 1 251 1 1 253 10 10 254 4 4 255 36 36 256 11 11 257 29 29 258 7 7 259 49 49 260 12 12 261 4 4 265 2 2 267 2 2 269 11 11 270 3 3 271 3 3 272 22 22 273 13 13 274 3 3 275 1 1 277 4 4 278 3 3 279 1 1 283 21 21 284 9 9 285 21 21 286 5 5 287 3 3 289 1 1 291 12 12 292 3 3 293 1 1 297 2 2 298 17 17 299 471 471 300 142 142 301 75 75 302 17 17 303 4 4 304 2 2 305 15 15 306 7 7 307 11 11 308 3 3 309 2 2 310 1 1 311 1 1 313 15 15 314 31 31 315 305 305 316 89 89 317 51 51 318 13 13 319 31 31 320 10 10 321 4 4 327 1 1 328 25 25 329 14 14 330 6 6 331 21 21 332 8 8 333 3 3 341 15 15 342 9 9 343 6 6 344 11 11 345 17 17 346 7 7 347 5 5 348 1 1 349 9 9 350 3 3 351 1 1 356 6 6 357 126 126 358 46 46 359 23 23 360 5 5 361 1 1 362 6 6 363 2 2 364 1 1 369 3 3 370 18 18 371 12 12 372 6 6 373 15 15 374 7 7 375 3 3 383 3 3 384 2 2 385 6 6 386 45 45 387 424 424 388 182 182 389 116 116 390 37 37 391 14 14 392 3 3 393 1 1 415 2 2 416 1 1 431 1 1 442 1 1 443 1 1 457 1 1 459 5 5 460 3 3 461 8 8 462 4 4 463 1 1 470 2 2 471 32 32 472 20 20 473 10 10 474 3 3 //