MassBank Record: OUF00448



 D-Ribulose 1,5-diphosphate; GC-EI-TOF; MS; n TMS; RT:948.5431826 sec 
Mass Spectrum
Chemical Structure
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ACCESSION: OUF00448
RECORD_TITLE: D-Ribulose 1,5-diphosphate; GC-EI-TOF; MS; n TMS; RT:948.5431826 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 2510.587 AC$CHROMATOGRAPHY: RETENTION_TIME 948.5431826 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-052k-0956000000-87ace6ab9ec81aeb2b63 PK$NUM_PEAK: 263 PK$PEAK: m/z int. rel.int. 85 36 36 86 8 8 87 41 41 88 6 6 89 245 245 90 32 32 91 39 39 92 9 9 93 30 30 94 16 16 95 16 16 96 24 24 97 6 6 98 36 36 99 35 35 100 32 32 101 314 314 102 49 49 103 126 126 104 18 18 105 49 49 106 12 12 107 31 31 108 1 1 109 13 13 110 8 8 111 15 15 112 12 12 113 63 63 114 32 32 115 86 86 116 95 95 117 65 65 118 6 6 119 58 58 120 10 10 121 47 47 123 22 22 125 61 61 126 179 179 127 53 53 128 27 27 129 282 282 130 41 41 131 104 104 132 21 21 133 434 434 134 64 64 135 187 187 136 22 22 137 88 88 138 5 5 139 11 11 140 20 20 141 12 12 142 156 156 143 49 49 144 18 18 145 11 11 146 3 3 147 494 494 148 94 94 149 79 79 150 10 10 151 89 89 152 27 27 153 25 25 154 25 25 155 6 6 156 15 15 157 14 14 158 29 29 161 3 3 162 3 3 163 31 31 164 3 3 165 28 28 166 26 26 167 43 43 168 218 218 169 48 48 170 26 26 171 3 3 172 7 7 173 240 240 174 32 32 175 12 12 176 2 2 177 15 15 178 4 4 179 15 15 180 5 5 181 109 109 182 34 34 183 52 52 184 75 75 185 18 18 186 6 6 187 3 3 189 21 21 190 9 9 191 76 76 192 23 23 193 105 105 194 21 21 195 141 141 196 25 25 197 49 49 198 119 119 199 20 20 200 21 21 201 2 2 202 11 11 203 4 4 204 6 6 205 19 19 207 147 147 208 39 39 209 43 43 210 18 18 211 486 486 212 99 99 213 60 60 214 6 6 215 15 15 216 8 8 217 81 81 218 21 21 219 10 10 220 3 3 221 9 9 223 2 2 224 2 2 225 241 241 226 58 58 227 99 99 228 25 25 229 12 12 230 2 2 233 2 2 236 73 73 237 18 18 238 2 2 239 2 2 240 15 15 241 57 57 242 26 26 243 25 25 244 6 6 245 2 2 246 1 1 250 1 1 251 1 1 252 2 2 253 37 37 254 10 10 255 21 21 256 47 47 257 28 28 258 9 9 259 1 1 266 13 13 267 5 5 268 2 2 269 22 22 270 3 3 271 5 5 272 11 11 273 4 4 274 4 4 282 3 3 283 48 48 284 18 18 285 65 65 286 19 19 287 9 9 288 6 6 289 3 3 291 2 2 297 2 2 298 34 34 299 999 999 300 299 299 301 167 167 302 29 29 303 4 4 306 1 1 308 1 1 311 4 4 312 1 1 313 33 33 314 30 30 315 257 257 316 67 67 317 37 37 318 7 7 320 1 1 326 1 1 328 7 7 329 3 3 338 3 3 340 2 2 341 81 81 342 44 44 343 14 14 344 1 1 347 1 1 352 14 14 353 6 6 354 72 72 355 27 27 356 60 60 357 852 852 358 319 319 359 152 152 360 37 37 361 13 13 362 2 2 370 2 2 371 5 5 372 3 3 373 19 19 374 9 9 375 3 3 384 16 16 385 17 17 386 85 85 387 638 638 388 293 293 389 155 155 390 49 49 391 9 9 392 4 4 407 3 3 408 9 9 409 13 13 410 4 4 411 3 3 412 3 3 413 9 9 414 121 121 415 53 53 416 18 18 417 4 4 428 1 1 430 1 1 437 2 2 440 8 8 441 4 4 442 28 28 443 11 11 444 1 1 449 6 6 450 4 4 451 44 44 452 17 17 453 7 7 454 4 4 461 6 6 467 3 3 477 2 2 482 3 3 494 3 3 //