MassBank Record: OUF00447



 D-Ribulose 1,5-diphosphate; GC-EI-TOF; MS; n TMS; RT:944.8926846 sec 
Mass Spectrum
Chemical Structure
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ACCESSION: OUF00447
RECORD_TITLE: D-Ribulose 1,5-diphosphate; GC-EI-TOF; MS; n TMS; RT:944.8926846 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$NAME: Ribulose-1,5-Bisphosphate CH$NAME: D-Ribulose 1,5-diphosphate CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H12O11P2 CH$EXACT_MASS: 309.98548 CH$SMILES: OC(COP(O)(O)=O)C(O)C(=O)COP(O)(O)=O CH$IUPAC: InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14) CH$LINK: CAS 14689-84-0 CH$LINK: INCHIKEY YAHZABJORDUQGO-UHFFFAOYSA-N
AC$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 2498.743 AC$CHROMATOGRAPHY: RETENTION_TIME 944.8926846 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-052k-1956000000-6b5c9a06e2b950e47cb1 PK$NUM_PEAK: 263 PK$PEAK: m/z int. rel.int. 85 25 25 86 10 10 87 30 30 88 14 14 89 320 320 90 54 54 91 50 50 93 40 40 94 8 8 95 23 23 96 55 55 97 4 4 98 18 18 99 47 47 100 36 36 101 377 377 102 64 64 103 216 216 104 18 18 105 52 52 106 10 10 107 10 10 108 6 6 111 23 23 112 23 23 113 54 54 114 32 32 115 106 106 116 97 97 117 56 56 119 65 65 120 13 13 121 72 72 122 5 5 124 3 3 125 50 50 126 256 256 127 53 53 128 20 20 129 348 348 130 39 39 131 141 141 133 577 577 134 46 46 135 192 192 136 37 37 137 84 84 140 25 25 141 31 31 142 202 202 143 65 65 144 25 25 145 25 25 146 28 28 147 567 567 148 104 104 149 75 75 150 9 9 151 98 98 152 59 59 153 3 3 154 44 44 155 32 32 156 24 24 157 7 7 159 25 25 161 23 23 163 38 38 164 1 1 165 30 30 166 42 42 167 32 32 168 73 73 169 29 29 170 15 15 172 10 10 173 340 340 174 36 36 175 25 25 176 5 5 177 22 22 179 25 25 181 91 91 182 35 35 183 58 58 184 37 37 185 7 7 186 8 8 188 16 16 189 6 6 191 68 68 192 41 41 193 121 121 194 30 30 195 126 126 196 62 62 197 33 33 198 24 24 199 17 17 200 1 1 203 12 12 204 3 3 205 10 10 207 157 157 209 25 25 210 37 37 211 555 555 212 86 86 213 35 35 216 9 9 217 69 69 218 32 32 219 10 10 223 2 2 225 314 314 226 83 83 227 120 120 228 38 38 229 20 20 234 8 8 236 77 77 237 29 29 239 7 7 240 8 8 241 68 68 242 17 17 243 36 36 244 4 4 245 3 3 247 16 16 251 2 2 253 57 57 254 8 8 255 8 8 256 46 46 257 32 32 258 12 12 262 3 3 265 9 9 266 14 14 267 10 10 271 27 27 272 35 35 273 16 16 274 29 29 275 2 2 276 9 9 277 22 22 278 12 12 282 41 41 283 53 53 284 13 13 285 13 13 286 7 7 287 12 12 292 10 10 294 19 19 297 16 16 298 19 19 299 999 999 300 316 316 301 160 160 302 7 7 305 3 3 308 12 12 309 10 10 311 1 1 312 9 9 313 35 35 314 51 51 315 252 252 316 55 55 317 46 46 322 8 8 323 18 18 325 2 2 327 22 22 328 24 24 331 10 10 332 3 3 333 6 6 337 4 4 338 11 11 339 3 3 340 30 30 341 77 77 342 51 51 343 22 22 348 22 22 352 9 9 354 65 65 355 46 46 356 51 51 357 988 988 358 358 358 359 137 137 360 27 27 361 4 4 363 4 4 364 13 13 365 10 10 366 6 6 368 18 18 369 5 5 370 18 18 372 3 3 373 10 10 374 7 7 376 7 7 379 6 6 380 7 7 381 2 2 385 27 27 386 78 78 387 804 804 388 353 353 389 170 170 390 47 47 391 5 5 392 19 19 395 22 22 396 12 12 398 27 27 402 28 28 405 2 2 407 17 17 409 17 17 411 1 1 412 5 5 414 47 47 416 10 10 418 5 5 420 7 7 427 9 9 428 3 3 429 6 6 432 8 8 433 4 4 434 8 8 440 16 16 441 15 15 442 38 38 443 4 4 444 9 9 445 4 4 447 8 8 450 9 9 451 35 35 452 2 2 453 21 21 454 1 1 459 26 26 460 18 18 464 9 9 469 2 2 471 6 6 475 2 2 480 24 24 484 4 4 489 6 6 491 3 3 493 14 14 497 1 1 //