MassBank Record: OUF00159



 D-Arabinose 5-phosphate; GC-EI-TOF; MS; n TMS; RT:803.445 sec 
Mass Spectrum
Chemical Structure
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ACCESSION: OUF00159
RECORD_TITLE: D-Arabinose 5-phosphate; GC-EI-TOF; MS; n TMS; RT:803.445 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$NAME: D-Arabinose-5-phosphate CH$NAME: D-Arabinose 5-phosphate CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H11O8P CH$EXACT_MASS: 230.01915 CH$SMILES: O=C[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1 CH$LINK: CAS 13137-52-5 CH$LINK: CHEBI 16241 CH$LINK: CHEMSPIDER 163687 CH$LINK: PUBCHEM 188324 CH$LINK: INCHIKEY PPQRONHOSHZGFQ-WDCZJNDASA-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$CHROMATOGRAPHY: RETENTION_INDEX 2083.427 AC$CHROMATOGRAPHY: RETENTION_TIME 803.445 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-014j-1954000000-66deca60c06849233c1e PK$NUM_PEAK: 284 PK$PEAK: m/z int. rel.int. 85 35 35 86 24 24 87 31 31 88 16 16 89 315 315 90 29 29 91 34 34 92 5 5 93 8 8 94 31 31 95 5 5 96 4 4 97 2 2 98 21 21 99 45 45 100 39 39 101 253 253 102 55 55 103 179 179 104 22 22 105 69 69 106 11 11 107 15 15 108 2 2 109 5 5 110 3 3 111 18 18 112 8 8 113 40 40 114 18 18 115 83 83 116 86 86 117 113 113 118 13 13 119 68 68 120 8 8 121 26 26 123 8 8 124 3 3 125 8 8 126 35 35 127 38 38 128 17 17 129 636 636 130 154 154 131 144 144 132 26 26 133 391 391 134 58 58 135 112 112 136 9 9 137 39 39 138 8 8 140 6 6 141 13 13 142 22 22 143 64 64 144 8 8 145 22 22 146 8 8 147 720 720 148 129 129 149 118 118 150 14 14 151 47 47 152 9 9 153 9 9 155 3 3 156 9 9 157 60 60 158 140 140 159 44 44 160 99 99 161 26 26 162 6 6 163 36 36 164 6 6 165 13 13 166 7 7 167 14 14 168 30 30 169 14 14 170 7 7 171 4 4 172 10 10 173 33 33 174 34 34 175 12 12 176 7 7 177 19 19 178 2 2 179 14 14 180 7 7 181 56 56 182 13 13 183 27 27 184 15 15 185 7 7 186 2 2 188 2 2 189 50 50 190 10 10 191 57 57 192 11 11 193 62 62 194 10 10 195 62 62 196 12 12 197 15 15 198 25 25 199 6 6 200 17 17 201 4 4 203 10 10 204 27 27 205 68 68 206 12 12 207 102 102 208 16 16 209 13 13 210 5 5 211 333 333 212 58 58 213 30 30 214 8 8 215 21 21 216 15 15 217 758 758 218 180 180 219 77 77 220 13 13 221 12 12 222 4 4 223 3 3 225 81 81 226 16 16 227 84 84 228 19 19 229 10 10 230 5 5 231 12 12 233 5 5 234 1 1 235 1 1 238 1 1 239 4 4 240 3 3 241 8 8 242 7 7 243 16 16 244 7 7 246 4 4 247 3 3 249 2 2 251 2 2 252 1 1 253 17 17 254 7 7 255 10 10 256 24 24 257 15 15 258 6 6 260 2 2 263 2 2 265 4 4 267 1 1 268 5 5 269 10 10 270 2 2 271 4 4 272 12 12 274 6 6 275 2 2 278 2 2 281 1 1 283 24 24 284 10 10 285 33 33 286 7 7 287 5 5 288 4 4 290 2 2 291 3 3 292 1 1 294 5 5 295 3 3 296 2 2 298 22 22 299 759 759 300 268 268 301 129 129 302 30 30 303 3 3 304 7 7 305 7 7 306 7 7 307 7 7 308 3 3 309 3 3 310 2 2 311 4 4 313 5 5 314 37 37 315 999 999 316 310 310 317 158 158 318 36 36 319 11 11 321 2 2 323 1 1 324 1 1 328 17 17 329 11 11 330 6 6 331 7 7 332 5 5 333 3 3 337 3 3 341 17 17 342 9 9 343 5 5 344 1 1 345 1 1 347 2 2 349 1 1 354 1 1 357 51 51 358 23 23 359 5 5 360 4 4 362 3 3 363 1 1 364 1 1 369 6 6 371 2 2 372 3 3 373 15 15 374 6 6 377 3 3 379 3 3 383 1 1 385 3 3 387 26 26 388 9 9 389 13 13 390 3 3 391 4 4 392 1 1 396 1 1 401 2 2 402 2 2 403 20 20 404 9 9 405 2 2 406 4 4 423 1 1 424 1 1 429 1 1 431 3 3 441 3 3 442 2 2 443 1 1 446 3 3 449 1 1 450 1 1 452 1 1 455 1 1 458 3 3 459 53 53 460 33 33 461 11 11 462 3 3 465 2 2 467 1 1 468 2 2 469 2 2 472 3 3 476 1 1 480 1 1 481 1 1 494 1 1 495 2 2 496 4 4 499 2 2 //