MassBank Record: OUF00164



 D-Fructose 6-phosphate; GC-EI-TOF; MS; n TMS; RT:878.3143483 sec 
Mass Spectrum
Chemical Structure
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ACCESSION: OUF00164
RECORD_TITLE: D-Fructose 6-phosphate; GC-EI-TOF; MS; n TMS; RT:878.3143483 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$CHROMATOGRAPHY: RETENTION_INDEX 2294.410 AC$CHROMATOGRAPHY: RETENTION_TIME 878.3143483 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-000b-0934000000-c2a49f4f2d11d3e60a9e PK$NUM_PEAK: 274 PK$PEAK: m/z int. rel.int. 85 72 72 86 57 57 87 53 53 88 23 23 89 369 369 90 37 37 91 36 36 92 11 11 93 2 2 94 5 5 95 2 2 96 15 15 97 20 20 98 21 21 99 58 58 100 80 80 101 359 359 102 105 105 103 268 268 104 39 39 105 180 180 106 32 32 107 20 20 109 6 6 110 7 7 111 21 21 112 23 23 113 55 55 114 95 95 115 98 98 116 156 156 117 146 146 118 25 25 119 72 72 120 9 9 121 19 19 122 4 4 123 7 7 124 6 6 125 4 4 126 14 14 127 38 38 128 41 41 129 593 593 130 146 146 131 265 265 132 44 44 133 507 507 134 81 81 135 124 124 136 12 12 137 36 36 138 29 29 139 11 11 140 5 5 141 26 26 142 43 43 143 91 91 144 18 18 145 63 63 146 9 9 147 999 999 148 171 171 149 140 140 150 16 16 151 50 50 152 13 13 153 16 16 154 9 9 155 19 19 156 23 23 157 292 292 158 68 68 159 34 34 160 642 642 161 156 156 162 44 44 163 44 44 164 7 7 165 11 11 166 1 1 167 5 5 168 13 13 169 32 32 170 21 21 171 23 23 172 13 13 173 25 25 174 11 11 175 11 11 176 6 6 177 12 12 178 6 6 179 10 10 180 8 8 181 52 52 182 15 15 183 19 19 184 11 11 185 5 5 186 47 47 187 10 10 188 2 2 189 80 80 190 24 24 191 125 125 192 24 24 193 80 80 194 15 15 195 59 59 196 29 29 197 21 21 198 7 7 199 5 5 200 11 11 201 8 8 202 6 6 203 27 27 204 113 113 205 54 54 206 10 10 207 113 113 208 21 21 209 19 19 210 22 22 211 255 255 212 76 76 213 31 31 214 13 13 215 28 28 216 44 44 217 295 295 218 88 88 219 31 31 220 5 5 221 22 22 222 2 2 223 1 1 224 1 1 225 87 87 226 15 15 227 66 66 228 44 44 229 34 34 230 37 37 231 51 51 232 18 18 233 4 4 234 12 12 237 3 3 240 3 3 241 11 11 242 8 8 243 37 37 244 14 14 245 7 7 246 16 16 247 114 114 248 21 21 249 8 8 251 1 1 252 3 3 253 24 24 254 8 8 255 10 10 256 7 7 257 1 1 259 9 9 260 3 3 261 6 6 262 9 9 267 5 5 268 10 10 269 28 28 270 17 17 271 8 8 272 3 3 274 21 21 275 8 8 278 1 1 279 1 1 281 1 1 283 25 25 284 14 14 285 34 34 286 21 21 287 5 5 291 13 13 292 3 3 297 2 2 298 27 27 299 664 664 300 255 255 301 126 126 302 35 35 303 9 9 304 1 1 305 10 10 306 4 4 310 1 1 311 5 5 313 17 17 314 46 46 315 281 281 316 98 98 317 50 50 318 11 11 319 7 7 320 5 5 321 2 2 324 1 1 328 11 11 329 2 2 330 3 3 331 97 97 332 39 39 333 13 13 334 2 2 338 1 1 340 2 2 341 34 34 342 22 22 343 12 12 344 3 3 356 12 12 357 247 247 358 107 107 359 44 44 360 11 11 361 3 3 363 3 3 364 13 13 365 1 1 369 2 2 370 5 5 371 9 9 372 6 6 373 18 18 374 11 11 375 4 4 376 5 5 384 2 2 385 7 7 386 104 104 387 831 831 388 393 393 389 222 222 390 94 94 391 30 30 392 12 12 393 1 1 394 2 2 400 1 1 403 11 11 404 5 5 405 3 3 407 7 7 408 2 2 427 1 1 429 1 1 441 1 1 443 3 3 444 3 3 461 3 3 470 12 12 471 97 97 472 58 58 473 24 24 474 7 7 475 5 5 484 1 1 487 1 1 494 1 1 500 1 1 //