MassBank Record: OUF00163



 D-Fructose 6-phosphate; GC-EI-TOF; MS; n TMS; RT:874.5699741 sec 
Mass Spectrum
Chemical Structure
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ACCESSION: OUF00163
RECORD_TITLE: D-Fructose 6-phosphate; GC-EI-TOF; MS; n TMS; RT:874.5699741 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$CHROMATOGRAPHY: RETENTION_INDEX 2283.556 AC$CHROMATOGRAPHY: RETENTION_TIME 874.5699741 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-000b-0934000000-eb61ccae8d0b23564bc7 PK$NUM_PEAK: 267 PK$PEAK: m/z int. rel.int. 85 68 68 86 46 46 87 46 46 88 16 16 89 345 345 90 37 37 91 28 28 92 6 6 93 2 2 94 5 5 95 8 8 96 11 11 97 15 15 98 15 15 99 56 56 100 88 88 101 330 330 102 92 92 103 258 258 104 31 31 105 160 160 106 24 24 107 21 21 108 4 4 109 9 9 110 8 8 111 20 20 112 22 22 113 53 53 114 106 106 115 86 86 116 131 131 117 128 128 118 19 19 119 57 57 120 5 5 121 23 23 122 5 5 123 8 8 124 6 6 125 3 3 126 14 14 127 27 27 128 33 33 129 578 578 130 127 127 131 224 224 132 39 39 133 455 455 134 72 72 135 104 104 136 8 8 137 33 33 138 26 26 139 11 11 140 12 12 141 24 24 142 37 37 143 88 88 144 14 14 145 42 42 146 6 6 147 999 999 148 153 153 149 143 143 150 17 17 151 41 41 152 11 11 153 11 11 154 7 7 155 9 9 156 19 19 157 290 290 158 69 69 159 33 33 160 547 547 161 129 129 162 33 33 163 37 37 164 1 1 165 7 7 166 3 3 167 10 10 168 8 8 169 32 32 170 17 17 171 7 7 172 16 16 173 21 21 174 14 14 175 8 8 176 3 3 177 8 8 179 6 6 180 2 2 181 42 42 182 14 14 183 20 20 184 4 4 185 2 2 186 10 10 187 3 3 188 3 3 189 58 58 190 19 19 191 84 84 192 28 28 193 63 63 194 13 13 195 51 51 196 19 19 197 16 16 198 5 5 199 4 4 200 1 1 201 10 10 202 5 5 203 16 16 204 90 90 205 42 42 206 9 9 207 98 98 208 19 19 209 23 23 210 21 21 211 234 234 212 79 79 213 24 24 214 9 9 215 21 21 216 37 37 217 306 306 218 77 77 219 27 27 220 6 6 221 20 20 224 1 1 225 85 85 226 17 17 227 60 60 228 43 43 229 31 31 230 14 14 231 42 42 232 12 12 233 6 6 234 4 4 235 3 3 237 2 2 240 8 8 241 15 15 242 9 9 243 42 42 244 9 9 245 7 7 246 16 16 247 87 87 248 13 13 249 9 9 250 1 1 253 21 21 254 2 2 255 5 5 256 6 6 259 12 12 260 1 1 261 4 4 262 3 3 267 2 2 268 11 11 269 26 26 270 13 13 271 5 5 272 3 3 274 19 19 275 3 3 279 2 2 280 2 2 283 27 27 284 13 13 285 27 27 286 9 9 287 1 1 288 2 2 290 1 1 291 10 10 292 6 6 293 1 1 297 1 1 298 21 21 299 594 594 300 230 230 301 108 108 302 31 31 303 3 3 305 8 8 307 2 2 309 1 1 311 1 1 312 1 1 313 16 16 314 37 37 315 300 300 316 100 100 317 61 61 318 11 11 319 10 10 320 2 2 327 1 1 328 4 4 329 1 1 330 5 5 331 104 104 332 41 41 333 14 14 334 2 2 335 2 2 340 1 1 341 29 29 342 25 25 343 12 12 344 1 1 345 2 2 348 1 1 356 14 14 357 244 244 358 101 101 359 47 47 360 14 14 364 2 2 370 3 3 371 3 3 372 4 4 373 16 16 374 8 8 375 1 1 377 3 3 382 1 1 383 2 2 384 1 1 385 9 9 386 105 105 387 815 815 388 400 400 389 222 222 390 96 96 391 25 25 392 9 9 403 14 14 404 3 3 407 2 2 408 1 1 412 1 1 414 1 1 422 2 2 429 2 2 431 1 1 443 2 2 444 1 1 459 4 4 461 6 6 470 11 11 471 89 89 472 55 55 473 30 30 474 14 14 475 9 9 //