MassBank Record: OUF00212



 D-Ribulose-5-phosphate; GC-EI-TOF; MS; n TMS; RT:802.235 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00212
RECORD_TITLE: D-Ribulose-5-phosphate; GC-EI-TOF; MS; n TMS; RT:802.235 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$NAME: D-Ribulose-5-phosphate CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H11O8P CH$EXACT_MASS: 230.01915 CH$SMILES: OCC(=O)C(O)C(O)COP(O)(O)=O CH$IUPAC: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1 CH$LINK: CAS 93-87-8 CH$LINK: CHEBI 52742 CH$LINK: CHEMSPIDER 388313 CH$LINK: KEGG C00117 CH$LINK: PUBCHEM 439167 CH$LINK: INCHIKEY FNZLKVNUWIIPSJ-UHNVWZDZSA-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$CHROMATOGRAPHY: RETENTION_INDEX 2080.218 AC$CHROMATOGRAPHY: RETENTION_TIME 802.235 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0a4j-1935000000-dfb75754c9a7045f108f PK$NUM_PEAK: 215 PK$PEAK: m/z int. rel.int. 85 38 38 86 17 17 87 30 30 88 22 22 89 329 329 90 30 30 91 25 25 92 1 1 93 5 5 94 2 2 95 2 2 96 22 22 97 5 5 98 15 15 99 27 27 100 52 52 101 246 246 102 32 32 103 335 335 104 36 36 105 40 40 106 3 3 107 6 6 109 1 1 110 1 1 111 6 6 112 4 4 113 25 25 114 96 96 115 52 52 116 84 84 117 120 120 118 16 16 119 40 40 120 4 4 121 18 18 122 1 1 123 6 6 124 1 1 125 5 5 126 118 118 127 14 14 128 21 21 129 173 173 130 28 28 131 151 151 132 18 18 133 286 286 134 43 43 135 78 78 136 9 9 137 26 26 138 1 1 139 2 2 140 9 9 141 2 2 142 16 16 143 14 14 144 5 5 145 12 12 146 5 5 147 447 447 148 70 70 149 51 51 150 7 7 151 31 31 152 10 10 153 5 5 154 15 15 155 3 3 156 11 11 157 7 7 158 8 8 159 16 16 160 2 2 161 44 44 162 5 5 163 22 22 164 2 2 165 7 7 166 5 5 167 8 8 168 11 11 169 3 3 170 8 8 171 1 1 172 21 21 173 25 25 174 7 7 175 5 5 176 1 1 177 6 6 178 1 1 179 8 8 180 2 2 181 41 41 182 9 9 183 20 20 184 15 15 185 2 2 186 16 16 187 2 2 188 7 7 189 12 12 190 3 3 191 47 47 192 7 7 193 41 41 194 5 5 195 58 58 196 8 8 197 21 21 198 6 6 199 1 1 200 21 21 201 50 50 202 12 12 203 6 6 204 5 5 205 7 7 207 69 69 208 13 13 209 12 12 210 5 5 211 217 217 212 41 41 213 20 20 214 8 8 215 5 5 216 12 12 217 33 33 218 11 11 219 4 4 221 3 3 225 74 74 226 13 13 227 42 42 228 12 12 229 6 6 230 8 8 231 2 2 232 1 1 233 10 10 234 1 1 240 3 3 241 8 8 242 4 4 243 5 5 244 3 3 253 33 33 254 7 7 255 7 7 256 13 13 257 2 2 258 1 1 260 15 15 261 4 4 262 4 4 269 18 18 270 3 3 271 1 1 275 1 1 283 10 10 284 3 3 285 20 20 286 3 3 287 3 3 298 10 10 299 291 291 300 89 89 301 50 50 302 8 8 303 1 1 313 7 7 314 8 8 315 63 63 316 19 19 317 10 10 318 1 1 328 7 7 329 4 4 330 4 4 331 4 4 332 3 3 340 3 3 341 73 73 342 42 42 343 15 15 344 3 3 346 2 2 347 1 1 349 2 2 352 1 1 355 2 2 356 55 55 357 999 999 358 340 340 359 165 165 360 43 43 361 8 8 362 6 6 363 1 1 369 1 1 370 2 2 371 2 2 372 1 1 373 14 14 374 6 6 375 1 1 387 14 14 388 6 6 389 7 7 403 2 2 404 1 1 429 3 3 //