ACCESSION: MSBNK-Osaka_Univ-OUF00216
RECORD_TITLE: D-Sorbitol 6-phosphate; GC-EI-TOF; MS; n TMS; RT:893.001 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$NAME: D-Sorbitol-6-phosphate
CH$NAME: D-Sorbitol 6-phosphate
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₅O₉P
CH$EXACT_MASS: 262.04537
CH$SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
CH$LINK: CAS 20479-58-7
CH$LINK: CHEBI 17044
CH$LINK: CHEMSPIDER 134245
CH$LINK: PUBCHEM CID:152306
CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-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$CHROMATOGRAPHY: RETENTION_INDEX 2338.428
AC$CHROMATOGRAPHY: RETENTION_TIME 893.001 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-00kb-0943000000-fdce3bd666a43e73a44c
PK$NUM_PEAK: 278
PK$PEAK: m/z int. rel.int.
  85 23 23
  86 6 6
  87 30 30
  88 17 17
  89 79 79
  90 11 11
  91 13 13
  92 4 4
  93 6 6
  94 3 3
  95 3 3
  96 3 3
  97 17 17
  98 6 6
  99 25 25
  100 4 4
  101 208 208
  102 31 31
  103 398 398
  104 42 42
  105 36 36
  106 6 6
  107 10 10
  108 1 1
  109 6 6
  110 1 1
  111 20 20
  112 3 3
  113 36 36
  114 5 5
  115 57 57
  116 112 112
  117 328 328
  118 38 38
  119 46 46
  120 6 6
  121 15 15
  122 1 1
  123 6 6
  125 5 5
  126 2 2
  127 20 20
  128 7 7
  129 315 315
  130 45 45
  131 115 115
  132 20 20
  133 311 311
  134 45 45
  135 66 66
  136 8 8
  137 22 22
  138 2 2
  139 5 5
  140 3 3
  141 16 16
  142 13 13
  143 76 76
  144 11 11
  145 19 19
  146 4 4
  147 999 999
  148 166 166
  149 130 130
  150 18 18
  151 34 34
  152 4 4
  153 11 11
  154 5 5
  155 30 30
  156 10 10
  157 109 109
  158 16 16
  159 19 19
  160 3 3
  161 11 11
  162 2 2
  163 24 24
  164 4 4
  165 10 10
  166 3 3
  167 22 22
  168 4 4
  169 35 35
  170 14 14
  171 8 8
  172 1 1
  173 7 7
  174 3 3
  175 21 21
  176 6 6
  177 18 18
  178 4 4
  179 9 9
  180 3 3
  181 28 28
  182 10 10
  183 57 57
  184 10 10
  185 9 9
  186 2 2
  187 6 6
  188 2 2
  189 71 71
  190 23 23
  191 139 139
  192 30 30
  193 53 53
  194 10 10
  195 29 29
  196 7 7
  197 8 8
  198 2 2
  199 2 2
  200 2 2
  201 6 6
  202 3 3
  203 26 26
  204 146 146
  205 176 176
  206 44 44
  207 80 80
  208 18 18
  209 16 16
  210 4 4
  211 156 156
  212 27 27
  213 16 16
  214 4 4
  215 41 41
  216 12 12
  217 290 290
  218 110 110
  219 40 40
  220 10 10
  221 28 28
  222 7 7
  223 5 5
  224 1 1
  225 50 50
  226 10 10
  227 36 36
  228 11 11
  229 23 23
  230 27 27
  231 50 50
  232 14 14
  233 6 6
  234 1 1
  235 1 1
  237 1 1
  239 5 5
  240 2 2
  241 6 6
  242 2 2
  243 25 25
  244 17 17
  245 7 7
  246 4 4
  247 3 3
  248 1 1
  249 1 1
  251 1 1
  253 10 10
  254 4 4
  255 36 36
  256 11 11
  257 29 29
  258 7 7
  259 49 49
  260 12 12
  261 4 4
  265 2 2
  267 2 2
  269 11 11
  270 3 3
  271 3 3
  272 22 22
  273 13 13
  274 3 3
  275 1 1
  277 4 4
  278 3 3
  279 1 1
  283 21 21
  284 9 9
  285 21 21
  286 5 5
  287 3 3
  289 1 1
  291 12 12
  292 3 3
  293 1 1
  297 2 2
  298 17 17
  299 471 471
  300 142 142
  301 75 75
  302 17 17
  303 4 4
  304 2 2
  305 15 15
  306 7 7
  307 11 11
  308 3 3
  309 2 2
  310 1 1
  311 1 1
  313 15 15
  314 31 31
  315 305 305
  316 89 89
  317 51 51
  318 13 13
  319 31 31
  320 10 10
  321 4 4
  327 1 1
  328 25 25
  329 14 14
  330 6 6
  331 21 21
  332 8 8
  333 3 3
  341 15 15
  342 9 9
  343 6 6
  344 11 11
  345 17 17
  346 7 7
  347 5 5
  348 1 1
  349 9 9
  350 3 3
  351 1 1
  356 6 6
  357 126 126
  358 46 46
  359 23 23
  360 5 5
  361 1 1
  362 6 6
  363 2 2
  364 1 1
  369 3 3
  370 18 18
  371 12 12
  372 6 6
  373 15 15
  374 7 7
  375 3 3
  383 3 3
  384 2 2
  385 6 6
  386 45 45
  387 424 424
  388 182 182
  389 116 116
  390 37 37
  391 14 14
  392 3 3
  393 1 1
  415 2 2
  416 1 1
  431 1 1
  442 1 1
  443 1 1
  457 1 1
  459 5 5
  460 3 3
  461 8 8
  462 4 4
  463 1 1
  470 2 2
  471 32 32
  472 20 20
  473 10 10
  474 3 3
//