ACCESSION: MSBNK-Osaka_Univ-OUF00164
RECORD_TITLE: D-Fructose 6-phosphate; GC-EI-TOF; MS; n TMS; RT:878.3143483 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$NAME: D-Fructose-6-Phosphate
CH$NAME: D-Fructose 6-phosphate
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₃O₉P
CH$EXACT_MASS: 260.02972
CH$SMILES: OCC(=O)C(O)C(O)C(O)COP(O)(O)=O
CH$IUPAC: InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1
CH$LINK: CAS 56-83-7
CH$LINK: CHEMSPIDER 388306
CH$LINK: KEGG C00085
CH$LINK: PUBCHEM 439160
CH$LINK: INCHIKEY GSXOAOHZAIYLCY-HSUXUTPPSA-N
CH$LINK: COMPTOX DTXSID80904350

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$CHROMATOGRAPHY: RETENTION_INDEX 2294.410
AC$CHROMATOGRAPHY: RETENTION_TIME 878.3143483 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-000b-0934000000-c2a49f4f2d11d3e60a9e
PK$NUM_PEAK: 274
PK$PEAK: m/z int. rel.int.
  85 72 72
  86 57 57
  87 53 53
  88 23 23
  89 369 369
  90 37 37
  91 36 36
  92 11 11
  93 2 2
  94 5 5
  95 2 2
  96 15 15
  97 20 20
  98 21 21
  99 58 58
  100 80 80
  101 359 359
  102 105 105
  103 268 268
  104 39 39
  105 180 180
  106 32 32
  107 20 20
  109 6 6
  110 7 7
  111 21 21
  112 23 23
  113 55 55
  114 95 95
  115 98 98
  116 156 156
  117 146 146
  118 25 25
  119 72 72
  120 9 9
  121 19 19
  122 4 4
  123 7 7
  124 6 6
  125 4 4
  126 14 14
  127 38 38
  128 41 41
  129 593 593
  130 146 146
  131 265 265
  132 44 44
  133 507 507
  134 81 81
  135 124 124
  136 12 12
  137 36 36
  138 29 29
  139 11 11
  140 5 5
  141 26 26
  142 43 43
  143 91 91
  144 18 18
  145 63 63
  146 9 9
  147 999 999
  148 171 171
  149 140 140
  150 16 16
  151 50 50
  152 13 13
  153 16 16
  154 9 9
  155 19 19
  156 23 23
  157 292 292
  158 68 68
  159 34 34
  160 642 642
  161 156 156
  162 44 44
  163 44 44
  164 7 7
  165 11 11
  166 1 1
  167 5 5
  168 13 13
  169 32 32
  170 21 21
  171 23 23
  172 13 13
  173 25 25
  174 11 11
  175 11 11
  176 6 6
  177 12 12
  178 6 6
  179 10 10
  180 8 8
  181 52 52
  182 15 15
  183 19 19
  184 11 11
  185 5 5
  186 47 47
  187 10 10
  188 2 2
  189 80 80
  190 24 24
  191 125 125
  192 24 24
  193 80 80
  194 15 15
  195 59 59
  196 29 29
  197 21 21
  198 7 7
  199 5 5
  200 11 11
  201 8 8
  202 6 6
  203 27 27
  204 113 113
  205 54 54
  206 10 10
  207 113 113
  208 21 21
  209 19 19
  210 22 22
  211 255 255
  212 76 76
  213 31 31
  214 13 13
  215 28 28
  216 44 44
  217 295 295
  218 88 88
  219 31 31
  220 5 5
  221 22 22
  222 2 2
  223 1 1
  224 1 1
  225 87 87
  226 15 15
  227 66 66
  228 44 44
  229 34 34
  230 37 37
  231 51 51
  232 18 18
  233 4 4
  234 12 12
  237 3 3
  240 3 3
  241 11 11
  242 8 8
  243 37 37
  244 14 14
  245 7 7
  246 16 16
  247 114 114
  248 21 21
  249 8 8
  251 1 1
  252 3 3
  253 24 24
  254 8 8
  255 10 10
  256 7 7
  257 1 1
  259 9 9
  260 3 3
  261 6 6
  262 9 9
  267 5 5
  268 10 10
  269 28 28
  270 17 17
  271 8 8
  272 3 3
  274 21 21
  275 8 8
  278 1 1
  279 1 1
  281 1 1
  283 25 25
  284 14 14
  285 34 34
  286 21 21
  287 5 5
  291 13 13
  292 3 3
  297 2 2
  298 27 27
  299 664 664
  300 255 255
  301 126 126
  302 35 35
  303 9 9
  304 1 1
  305 10 10
  306 4 4
  310 1 1
  311 5 5
  313 17 17
  314 46 46
  315 281 281
  316 98 98
  317 50 50
  318 11 11
  319 7 7
  320 5 5
  321 2 2
  324 1 1
  328 11 11
  329 2 2
  330 3 3
  331 97 97
  332 39 39
  333 13 13
  334 2 2
  338 1 1
  340 2 2
  341 34 34
  342 22 22
  343 12 12
  344 3 3
  356 12 12
  357 247 247
  358 107 107
  359 44 44
  360 11 11
  361 3 3
  363 3 3
  364 13 13
  365 1 1
  369 2 2
  370 5 5
  371 9 9
  372 6 6
  373 18 18
  374 11 11
  375 4 4
  376 5 5
  384 2 2
  385 7 7
  386 104 104
  387 831 831
  388 393 393
  389 222 222
  390 94 94
  391 30 30
  392 12 12
  393 1 1
  394 2 2
  400 1 1
  403 11 11
  404 5 5
  405 3 3
  407 7 7
  408 2 2
  427 1 1
  429 1 1
  441 1 1
  443 3 3
  444 3 3
  461 3 3
  470 12 12
  471 97 97
  472 58 58
  473 24 24
  474 7 7
  475 5 5
  484 1 1
  487 1 1
  494 1 1
  500 1 1
//