MassBank Record: OUF00166



 D-Fructose 6-phosphate; GC-EI-TOF; MS; n TMS; RT:885.5035469 sec 
Mass Spectrum
Chemical Structure
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ACCESSION: OUF00166
RECORD_TITLE: D-Fructose 6-phosphate; GC-EI-TOF; MS; n TMS; RT:885.5035469 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$NAME: D-Fructose-6-Phosphate CH$NAME: D-Fructose 6-phosphate CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H13O9P CH$EXACT_MASS: 260.02972 CH$SMILES: OCC(=O)C(O)C(O)C(O)COP(O)(O)=O CH$IUPAC: InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1 CH$LINK: CAS 56-83-7 CH$LINK: CHEMSPIDER 388306 CH$LINK: KEGG C00085 CH$LINK: PUBCHEM 439160 CH$LINK: INCHIKEY GSXOAOHZAIYLCY-HSUXUTPPSA-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$CHROMATOGRAPHY: RETENTION_INDEX 2315.845 AC$CHROMATOGRAPHY: RETENTION_TIME 885.5035469 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0f7a-1934000000-b28e738e5093324060d9 PK$NUM_PEAK: 273 PK$PEAK: m/z int. rel.int. 85 63 63 86 28 28 87 38 38 88 12 12 89 515 515 90 40 40 91 55 55 92 4 4 96 9 9 97 23 23 98 4 4 99 49 49 100 87 87 101 425 425 102 101 101 103 552 552 104 73 73 105 109 109 106 29 29 107 4 4 109 9 9 111 43 43 112 39 39 113 53 53 114 57 57 115 79 79 116 178 178 117 169 169 118 25 25 119 66 66 120 14 14 121 14 14 122 15 15 124 20 20 125 3 3 126 13 13 127 23 23 128 21 21 129 654 654 130 170 170 131 319 319 132 33 33 133 542 542 134 85 85 135 124 124 136 13 13 137 39 39 138 7 7 140 4 4 141 13 13 142 29 29 143 65 65 144 9 9 145 40 40 147 999 999 148 167 167 149 139 139 150 26 26 151 52 52 152 19 19 153 6 6 154 29 29 156 28 28 157 338 338 158 73 73 159 38 38 160 309 309 161 107 107 162 14 14 163 42 42 164 11 11 165 7 7 168 11 11 169 39 39 171 14 14 172 28 28 173 17 17 174 21 21 175 12 12 176 7 7 177 33 33 178 7 7 179 21 21 180 29 29 181 43 43 182 12 12 183 22 22 184 12 12 186 21 21 187 18 18 188 14 14 189 73 73 190 36 36 191 79 79 192 10 10 193 68 68 194 10 10 195 56 56 196 1 1 197 10 10 198 9 9 200 14 14 201 2 2 203 10 10 204 105 105 205 48 48 206 4 4 207 120 120 208 16 16 209 26 26 210 15 15 211 287 287 212 51 51 213 17 17 214 24 24 215 4 4 216 21 21 217 293 293 218 85 85 219 21 21 220 31 31 221 21 21 224 4 4 225 103 103 226 38 38 227 73 73 228 26 26 229 19 19 230 15 15 231 34 34 232 10 10 233 19 19 235 12 12 237 10 10 238 5 5 239 15 15 241 9 9 242 23 23 243 48 48 244 21 21 247 92 92 248 38 38 249 29 29 253 36 36 257 8 8 259 12 12 260 3 3 261 7 7 262 3 3 268 17 17 269 14 14 271 7 7 272 16 16 273 22 22 274 3 3 275 12 12 278 10 10 280 9 9 281 5 5 282 7 7 283 36 36 284 18 18 285 29 29 286 21 21 288 17 17 289 1 1 291 22 22 297 6 6 298 39 39 299 725 725 300 272 272 301 123 123 302 46 46 303 13 13 304 12 12 305 17 17 307 7 7 313 7 7 314 47 47 315 366 366 316 100 100 317 73 73 318 3 3 319 17 17 320 14 14 321 3 3 322 14 14 323 14 14 325 10 10 327 7 7 328 19 19 330 8 8 331 41 41 332 33 33 333 21 21 334 10 10 335 4 4 336 8 8 339 5 5 340 4 4 341 46 46 342 19 19 343 23 23 344 7 7 348 4 4 352 4 4 356 8 8 357 261 261 358 84 84 359 29 29 360 21 21 362 4 4 367 7 7 368 1 1 369 17 17 370 12 12 371 17 17 372 17 17 374 12 12 376 9 9 380 4 4 381 8 8 382 5 5 384 22 22 385 21 21 386 117 117 387 840 840 388 464 464 389 230 230 390 80 80 391 24 24 392 5 5 395 7 7 399 15 15 401 9 9 403 12 12 404 9 9 405 16 16 407 10 10 408 8 8 409 13 13 412 4 4 420 4 4 423 4 4 428 2 2 430 4 4 437 14 14 441 2 2 443 12 12 444 9 9 446 9 9 453 9 9 455 1 1 456 9 9 459 9 9 463 5 5 465 9 9 470 9 9 471 73 73 472 53 53 473 36 36 474 4 4 475 22 22 478 19 19 480 2 2 481 6 6 483 12 12 485 1 1 487 7 7 493 21 21 494 4 4 497 3 3 500 24 24 //