ACCESSION: MSBNK-Osaka_Univ-OUF00213
RECORD_TITLE: D-Ribulose-5-phosphate; GC-EI-TOF; MS; n TMS; RT:807.735 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, 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$CHROMATOGRAPHY: RETENTION_INDEX 2094.806
AC$CHROMATOGRAPHY: RETENTION_TIME 807.735 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-0a4j-1935000000-31be2cabeeebc480c1b8
PK$NUM_PEAK: 261
PK$PEAK: m/z int. rel.int.
  85 36 36
  86 19 19
  87 27 27
  88 19 19
  89 296 296
  90 29 29
  91 22 22
  92 4 4
  93 8 8
  94 6 6
  95 6 6
  96 10 10
  97 4 4
  98 20 20
  99 27 27
  100 43 43
  101 259 259
  102 37 37
  103 300 300
  104 33 33
  105 61 61
  106 8 8
  107 11 11
  108 1 1
  109 5 5
  110 3 3
  111 9 9
  112 8 8
  113 32 32
  114 142 142
  115 61 61
  116 87 87
  117 62 62
  118 11 11
  119 46 46
  120 6 6
  121 19 19
  122 2 2
  123 8 8
  124 2 2
  125 7 7
  126 30 30
  127 14 14
  128 36 36
  129 220 220
  130 38 38
  131 73 73
  132 16 16
  133 284 284
  134 41 41
  135 80 80
  136 9 9
  137 29 29
  138 5 5
  139 5 5
  140 15 15
  141 8 8
  142 28 28
  143 29 29
  144 9 9
  145 10 10
  146 3 3
  147 437 437
  148 74 74
  149 57 57
  150 9 9
  151 32 32
  152 15 15
  153 10 10
  154 21 21
  155 8 8
  156 21 21
  157 12 12
  158 13 13
  159 7 7
  160 3 3
  161 3 3
  162 1 1
  163 21 21
  164 3 3
  165 11 11
  166 8 8
  167 17 17
  168 47 47
  169 14 14
  170 10 10
  171 3 3
  172 17 17
  173 31 31
  174 39 39
  175 10 10
  176 3 3
  177 11 11
  178 2 2
  179 10 10
  180 2 2
  181 43 43
  182 12 12
  183 21 21
  184 22 22
  185 6 6
  186 10 10
  187 5 5
  188 8 8
  189 15 15
  190 4 4
  191 45 45
  192 11 11
  193 42 42
  194 9 9
  195 54 54
  196 11 11
  197 22 22
  198 24 24
  199 6 6
  200 14 14
  201 8 8
  202 10 10
  203 6 6
  204 7 7
  205 10 10
  206 2 2
  207 67 67
  208 17 17
  209 16 16
  210 6 6
  211 219 219
  212 40 40
  213 24 24
  214 17 17
  215 9 9
  216 17 17
  217 90 90
  218 27 27
  219 11 11
  220 2 2
  221 7 7
  222 2 2
  223 3 3
  224 1 1
  225 70 70
  226 18 18
  227 37 37
  228 24 24
  229 9 9
  230 16 16
  231 8 8
  232 3 3
  233 1 1
  237 1 1
  239 1 1
  240 13 13
  241 15 15
  242 23 23
  243 16 16
  244 12 12
  245 4 4
  246 1 1
  247 1 1
  253 34 34
  254 8 8
  255 11 11
  256 27 27
  257 28 28
  258 19 19
  259 7 7
  260 3 3
  261 3 3
  262 27 27
  263 10 10
  264 3 3
  267 2 2
  268 1 1
  269 20 20
  270 4 4
  271 3 3
  272 5 5
  273 2 2
  274 3 3
  276 1 1
  281 1 1
  283 15 15
  284 6 6
  285 20 20
  286 6 6
  287 4 4
  288 15 15
  289 4 4
  290 4 4
  291 1 1
  297 1 1
  298 11 11
  299 285 285
  300 93 93
  301 48 48
  302 13 13
  303 3 3
  304 1 1
  305 1 1
  311 1 1
  313 8 8
  314 10 10
  315 92 92
  316 32 32
  317 18 18
  318 6 6
  319 2 2
  327 1 1
  328 12 12
  329 4 4
  330 5 5
  331 23 23
  332 12 12
  333 5 5
  340 3 3
  341 58 58
  342 37 37
  343 15 15
  344 4 4
  345 3 3
  346 6 6
  347 10 10
  348 5 5
  349 3 3
  350 2 2
  351 1 1
  352 1 1
  353 2 2
  354 2 2
  355 5 5
  356 43 43
  357 999 999
  358 322 322
  359 162 162
  360 38 38
  361 10 10
  362 22 22
  363 9 9
  364 4 4
  370 3 3
  371 5 5
  372 3 3
  373 10 10
  374 4 4
  375 1 1
  377 1 1
  378 25 25
  379 10 10
  380 5 5
  381 1 1
  386 4 4
  387 45 45
  388 21 21
  389 18 18
  390 5 5
  391 1 1
  408 1 1
  429 3 3
  430 1 1
  431 1 1
  482 1 1
//