ACCESSION: MSBNK-Osaka_Univ-OUF00163
RECORD_TITLE: D-Fructose 6-phosphate; GC-EI-TOF; MS; n TMS; RT:874.5699741 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$CHROMATOGRAPHY: RETENTION_INDEX 2283.556
AC$CHROMATOGRAPHY: RETENTION_TIME 874.5699741 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-000b-0934000000-eb61ccae8d0b23564bc7
PK$NUM_PEAK: 267
PK$PEAK: m/z int. rel.int.
  85 68 68
  86 46 46
  87 46 46
  88 16 16
  89 345 345
  90 37 37
  91 28 28
  92 6 6
  93 2 2
  94 5 5
  95 8 8
  96 11 11
  97 15 15
  98 15 15
  99 56 56
  100 88 88
  101 330 330
  102 92 92
  103 258 258
  104 31 31
  105 160 160
  106 24 24
  107 21 21
  108 4 4
  109 9 9
  110 8 8
  111 20 20
  112 22 22
  113 53 53
  114 106 106
  115 86 86
  116 131 131
  117 128 128
  118 19 19
  119 57 57
  120 5 5
  121 23 23
  122 5 5
  123 8 8
  124 6 6
  125 3 3
  126 14 14
  127 27 27
  128 33 33
  129 578 578
  130 127 127
  131 224 224
  132 39 39
  133 455 455
  134 72 72
  135 104 104
  136 8 8
  137 33 33
  138 26 26
  139 11 11
  140 12 12
  141 24 24
  142 37 37
  143 88 88
  144 14 14
  145 42 42
  146 6 6
  147 999 999
  148 153 153
  149 143 143
  150 17 17
  151 41 41
  152 11 11
  153 11 11
  154 7 7
  155 9 9
  156 19 19
  157 290 290
  158 69 69
  159 33 33
  160 547 547
  161 129 129
  162 33 33
  163 37 37
  164 1 1
  165 7 7
  166 3 3
  167 10 10
  168 8 8
  169 32 32
  170 17 17
  171 7 7
  172 16 16
  173 21 21
  174 14 14
  175 8 8
  176 3 3
  177 8 8
  179 6 6
  180 2 2
  181 42 42
  182 14 14
  183 20 20
  184 4 4
  185 2 2
  186 10 10
  187 3 3
  188 3 3
  189 58 58
  190 19 19
  191 84 84
  192 28 28
  193 63 63
  194 13 13
  195 51 51
  196 19 19
  197 16 16
  198 5 5
  199 4 4
  200 1 1
  201 10 10
  202 5 5
  203 16 16
  204 90 90
  205 42 42
  206 9 9
  207 98 98
  208 19 19
  209 23 23
  210 21 21
  211 234 234
  212 79 79
  213 24 24
  214 9 9
  215 21 21
  216 37 37
  217 306 306
  218 77 77
  219 27 27
  220 6 6
  221 20 20
  224 1 1
  225 85 85
  226 17 17
  227 60 60
  228 43 43
  229 31 31
  230 14 14
  231 42 42
  232 12 12
  233 6 6
  234 4 4
  235 3 3
  237 2 2
  240 8 8
  241 15 15
  242 9 9
  243 42 42
  244 9 9
  245 7 7
  246 16 16
  247 87 87
  248 13 13
  249 9 9
  250 1 1
  253 21 21
  254 2 2
  255 5 5
  256 6 6
  259 12 12
  260 1 1
  261 4 4
  262 3 3
  267 2 2
  268 11 11
  269 26 26
  270 13 13
  271 5 5
  272 3 3
  274 19 19
  275 3 3
  279 2 2
  280 2 2
  283 27 27
  284 13 13
  285 27 27
  286 9 9
  287 1 1
  288 2 2
  290 1 1
  291 10 10
  292 6 6
  293 1 1
  297 1 1
  298 21 21
  299 594 594
  300 230 230
  301 108 108
  302 31 31
  303 3 3
  305 8 8
  307 2 2
  309 1 1
  311 1 1
  312 1 1
  313 16 16
  314 37 37
  315 300 300
  316 100 100
  317 61 61
  318 11 11
  319 10 10
  320 2 2
  327 1 1
  328 4 4
  329 1 1
  330 5 5
  331 104 104
  332 41 41
  333 14 14
  334 2 2
  335 2 2
  340 1 1
  341 29 29
  342 25 25
  343 12 12
  344 1 1
  345 2 2
  348 1 1
  356 14 14
  357 244 244
  358 101 101
  359 47 47
  360 14 14
  364 2 2
  370 3 3
  371 3 3
  372 4 4
  373 16 16
  374 8 8
  375 1 1
  377 3 3
  382 1 1
  383 2 2
  384 1 1
  385 9 9
  386 105 105
  387 815 815
  388 400 400
  389 222 222
  390 96 96
  391 25 25
  392 9 9
  403 14 14
  404 3 3
  407 2 2
  408 1 1
  412 1 1
  414 1 1
  422 2 2
  429 2 2
  431 1 1
  443 2 2
  444 1 1
  459 4 4
  461 6 6
  470 11 11
  471 89 89
  472 55 55
  473 30 30
  474 14 14
  475 9 9
//