MassBank Record: OUF00158



 D-Arabinose 5-phosphate; GC-EI-TOF; MS; n TMS; RT:800.795 sec 
Mass Spectrum
Chemical Structure
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ACCESSION: OUF00158
RECORD_TITLE: D-Arabinose 5-phosphate; GC-EI-TOF; MS; n TMS; RT:800.795 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$CHROMATOGRAPHY: RETENTION_INDEX 2076.398 AC$CHROMATOGRAPHY: RETENTION_TIME 800.795 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-014j-0954000000-13c360ef6d50c290ff75 PK$NUM_PEAK: 273 PK$PEAK: m/z int. rel.int. 85 48 48 86 29 29 87 39 39 88 14 14 89 262 262 90 28 28 91 26 26 92 6 6 93 8 8 94 12 12 95 7 7 96 8 8 97 5 5 98 28 28 99 47 47 100 50 50 101 263 263 102 72 72 103 121 121 104 18 18 105 85 85 106 14 14 107 17 17 108 3 3 109 5 5 110 2 2 111 19 19 112 17 17 113 53 53 114 44 44 115 86 86 116 87 87 117 98 98 118 14 14 119 52 52 120 6 6 121 24 24 122 2 2 123 7 7 124 2 2 125 4 4 126 40 40 127 38 38 128 36 36 129 626 626 130 135 135 131 132 132 132 25 25 133 390 390 134 62 62 135 107 107 136 12 12 137 44 44 138 6 6 139 4 4 140 10 10 141 13 13 142 38 38 143 70 70 144 15 15 145 24 24 146 6 6 147 719 719 148 124 124 149 113 113 150 17 17 151 49 49 152 14 14 153 9 9 154 6 6 155 5 5 156 14 14 157 51 51 158 117 117 159 34 34 160 132 132 161 39 39 162 11 11 163 40 40 164 7 7 165 14 14 166 9 9 167 17 17 168 89 89 169 26 26 170 13 13 171 5 5 172 8 8 173 30 30 174 34 34 175 10 10 176 4 4 177 14 14 178 5 5 179 18 18 180 5 5 181 60 60 182 15 15 183 27 27 184 19 19 185 8 8 186 7 7 187 5 5 188 4 4 189 51 51 190 12 12 191 65 65 192 13 13 193 65 65 194 13 13 195 59 59 196 11 11 197 21 21 198 51 51 199 10 10 200 35 35 201 7 7 202 6 6 203 12 12 204 45 45 205 48 48 206 13 13 207 88 88 208 18 18 209 19 19 210 7 7 211 313 313 212 57 57 213 35 35 214 7 7 215 21 21 216 46 46 217 761 761 218 176 176 219 78 78 220 12 12 221 14 14 222 2 2 223 4 4 224 1 1 225 89 89 226 18 18 227 81 81 228 22 22 229 13 13 230 8 8 231 29 29 232 7 7 233 3 3 234 1 1 237 1 1 239 1 1 240 7 7 241 11 11 242 14 14 243 13 13 244 6 6 245 1 1 246 4 4 247 1 1 248 2 2 251 1 1 253 23 23 254 5 5 255 11 11 256 45 45 257 17 17 258 13 13 259 2 2 260 2 2 262 3 3 263 1 1 265 2 2 266 1 1 267 2 2 268 2 2 269 15 15 270 3 3 271 2 2 272 37 37 273 7 7 274 8 8 275 2 2 281 1 1 283 22 22 284 10 10 285 30 30 286 8 8 287 5 5 288 7 7 289 2 2 290 3 3 291 2 2 294 1 1 297 2 2 298 19 19 299 576 576 300 224 224 301 105 105 302 25 25 303 6 6 304 2 2 305 6 6 306 5 5 307 4 4 308 3 3 309 5 5 310 4 4 311 3 3 312 1 1 313 13 13 314 36 36 315 999 999 316 297 297 317 161 161 318 36 36 319 9 9 320 1 1 328 13 13 329 3 3 330 16 16 331 13 13 332 5 5 333 3 3 335 1 1 340 1 1 341 34 34 342 14 14 343 6 6 344 3 3 345 1 1 346 1 1 347 1 1 356 3 3 357 102 102 358 37 37 359 16 16 360 4 4 362 10 10 363 4 4 364 1 1 369 10 10 370 4 4 371 3 3 372 2 2 373 26 26 374 9 9 375 4 4 377 1 1 378 3 3 385 5 5 386 4 4 387 31 31 388 13 13 389 10 10 390 1 1 391 1 1 402 4 4 403 72 72 404 35 35 405 16 16 406 5 5 407 1 1 429 1 1 431 2 2 432 2 2 458 2 2 459 54 54 460 27 27 461 12 12 462 2 2 483 1 1 485 1 1 //