ACCESSION: MSBNK-Osaka_Univ-OUF00447
RECORD_TITLE: D-Ribulose 1,5-diphosphate; GC-EI-TOF; MS; n TMS; RT:944.8926846 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$NAME: Ribulose-1,5-Bisphosphate
CH$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$LINK: INCHIKEY YAHZABJORDUQGO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50274299

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$CHROMATOGRAPHY: RETENTION_INDEX 2498.743
AC$CHROMATOGRAPHY: RETENTION_TIME 944.8926846 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-052k-1956000000-6b5c9a06e2b950e47cb1
PK$NUM_PEAK: 263
PK$PEAK: m/z int. rel.int.
  85 25 25
  86 10 10
  87 30 30
  88 14 14
  89 320 320
  90 54 54
  91 50 50
  93 40 40
  94 8 8
  95 23 23
  96 55 55
  97 4 4
  98 18 18
  99 47 47
  100 36 36
  101 377 377
  102 64 64
  103 216 216
  104 18 18
  105 52 52
  106 10 10
  107 10 10
  108 6 6
  111 23 23
  112 23 23
  113 54 54
  114 32 32
  115 106 106
  116 97 97
  117 56 56
  119 65 65
  120 13 13
  121 72 72
  122 5 5
  124 3 3
  125 50 50
  126 256 256
  127 53 53
  128 20 20
  129 348 348
  130 39 39
  131 141 141
  133 577 577
  134 46 46
  135 192 192
  136 37 37
  137 84 84
  140 25 25
  141 31 31
  142 202 202
  143 65 65
  144 25 25
  145 25 25
  146 28 28
  147 567 567
  148 104 104
  149 75 75
  150 9 9
  151 98 98
  152 59 59
  153 3 3
  154 44 44
  155 32 32
  156 24 24
  157 7 7
  159 25 25
  161 23 23
  163 38 38
  164 1 1
  165 30 30
  166 42 42
  167 32 32
  168 73 73
  169 29 29
  170 15 15
  172 10 10
  173 340 340
  174 36 36
  175 25 25
  176 5 5
  177 22 22
  179 25 25
  181 91 91
  182 35 35
  183 58 58
  184 37 37
  185 7 7
  186 8 8
  188 16 16
  189 6 6
  191 68 68
  192 41 41
  193 121 121
  194 30 30
  195 126 126
  196 62 62
  197 33 33
  198 24 24
  199 17 17
  200 1 1
  203 12 12
  204 3 3
  205 10 10
  207 157 157
  209 25 25
  210 37 37
  211 555 555
  212 86 86
  213 35 35
  216 9 9
  217 69 69
  218 32 32
  219 10 10
  223 2 2
  225 314 314
  226 83 83
  227 120 120
  228 38 38
  229 20 20
  234 8 8
  236 77 77
  237 29 29
  239 7 7
  240 8 8
  241 68 68
  242 17 17
  243 36 36
  244 4 4
  245 3 3
  247 16 16
  251 2 2
  253 57 57
  254 8 8
  255 8 8
  256 46 46
  257 32 32
  258 12 12
  262 3 3
  265 9 9
  266 14 14
  267 10 10
  271 27 27
  272 35 35
  273 16 16
  274 29 29
  275 2 2
  276 9 9
  277 22 22
  278 12 12
  282 41 41
  283 53 53
  284 13 13
  285 13 13
  286 7 7
  287 12 12
  292 10 10
  294 19 19
  297 16 16
  298 19 19
  299 999 999
  300 316 316
  301 160 160
  302 7 7
  305 3 3
  308 12 12
  309 10 10
  311 1 1
  312 9 9
  313 35 35
  314 51 51
  315 252 252
  316 55 55
  317 46 46
  322 8 8
  323 18 18
  325 2 2
  327 22 22
  328 24 24
  331 10 10
  332 3 3
  333 6 6
  337 4 4
  338 11 11
  339 3 3
  340 30 30
  341 77 77
  342 51 51
  343 22 22
  348 22 22
  352 9 9
  354 65 65
  355 46 46
  356 51 51
  357 988 988
  358 358 358
  359 137 137
  360 27 27
  361 4 4
  363 4 4
  364 13 13
  365 10 10
  366 6 6
  368 18 18
  369 5 5
  370 18 18
  372 3 3
  373 10 10
  374 7 7
  376 7 7
  379 6 6
  380 7 7
  381 2 2
  385 27 27
  386 78 78
  387 804 804
  388 353 353
  389 170 170
  390 47 47
  391 5 5
  392 19 19
  395 22 22
  396 12 12
  398 27 27
  402 28 28
  405 2 2
  407 17 17
  409 17 17
  411 1 1
  412 5 5
  414 47 47
  416 10 10
  418 5 5
  420 7 7
  427 9 9
  428 3 3
  429 6 6
  432 8 8
  433 4 4
  434 8 8
  440 16 16
  441 15 15
  442 38 38
  443 4 4
  444 9 9
  445 4 4
  447 8 8
  450 9 9
  451 35 35
  452 2 2
  453 21 21
  454 1 1
  459 26 26
  460 18 18
  464 9 9
  469 2 2
  471 6 6
  475 2 2
  480 24 24
  484 4 4
  489 6 6
  491 3 3
  493 14 14
  497 1 1
//