ACCESSION: MSBNK-Osaka_Univ-OUF00166
RECORD_TITLE: D-Fructose 6-phosphate; GC-EI-TOF; MS; n TMS; RT:885.5035469 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$CHROMATOGRAPHY: RETENTION_INDEX 2315.845
AC$CHROMATOGRAPHY: RETENTION_TIME 885.5035469 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0f7a-1934000000-b28e738e5093324060d9
PK$NUM_PEAK: 273
PK$PEAK: m/z int. rel.int.
  85 63 63
  86 28 28
  87 38 38
  88 12 12
  89 515 515
  90 40 40
  91 55 55
  92 4 4
  96 9 9
  97 23 23
  98 4 4
  99 49 49
  100 87 87
  101 425 425
  102 101 101
  103 552 552
  104 73 73
  105 109 109
  106 29 29
  107 4 4
  109 9 9
  111 43 43
  112 39 39
  113 53 53
  114 57 57
  115 79 79
  116 178 178
  117 169 169
  118 25 25
  119 66 66
  120 14 14
  121 14 14
  122 15 15
  124 20 20
  125 3 3
  126 13 13
  127 23 23
  128 21 21
  129 654 654
  130 170 170
  131 319 319
  132 33 33
  133 542 542
  134 85 85
  135 124 124
  136 13 13
  137 39 39
  138 7 7
  140 4 4
  141 13 13
  142 29 29
  143 65 65
  144 9 9
  145 40 40
  147 999 999
  148 167 167
  149 139 139
  150 26 26
  151 52 52
  152 19 19
  153 6 6
  154 29 29
  156 28 28
  157 338 338
  158 73 73
  159 38 38
  160 309 309
  161 107 107
  162 14 14
  163 42 42
  164 11 11
  165 7 7
  168 11 11
  169 39 39
  171 14 14
  172 28 28
  173 17 17
  174 21 21
  175 12 12
  176 7 7
  177 33 33
  178 7 7
  179 21 21
  180 29 29
  181 43 43
  182 12 12
  183 22 22
  184 12 12
  186 21 21
  187 18 18
  188 14 14
  189 73 73
  190 36 36
  191 79 79
  192 10 10
  193 68 68
  194 10 10
  195 56 56
  196 1 1
  197 10 10
  198 9 9
  200 14 14
  201 2 2
  203 10 10
  204 105 105
  205 48 48
  206 4 4
  207 120 120
  208 16 16
  209 26 26
  210 15 15
  211 287 287
  212 51 51
  213 17 17
  214 24 24
  215 4 4
  216 21 21
  217 293 293
  218 85 85
  219 21 21
  220 31 31
  221 21 21
  224 4 4
  225 103 103
  226 38 38
  227 73 73
  228 26 26
  229 19 19
  230 15 15
  231 34 34
  232 10 10
  233 19 19
  235 12 12
  237 10 10
  238 5 5
  239 15 15
  241 9 9
  242 23 23
  243 48 48
  244 21 21
  247 92 92
  248 38 38
  249 29 29
  253 36 36
  257 8 8
  259 12 12
  260 3 3
  261 7 7
  262 3 3
  268 17 17
  269 14 14
  271 7 7
  272 16 16
  273 22 22
  274 3 3
  275 12 12
  278 10 10
  280 9 9
  281 5 5
  282 7 7
  283 36 36
  284 18 18
  285 29 29
  286 21 21
  288 17 17
  289 1 1
  291 22 22
  297 6 6
  298 39 39
  299 725 725
  300 272 272
  301 123 123
  302 46 46
  303 13 13
  304 12 12
  305 17 17
  307 7 7
  313 7 7
  314 47 47
  315 366 366
  316 100 100
  317 73 73
  318 3 3
  319 17 17
  320 14 14
  321 3 3
  322 14 14
  323 14 14
  325 10 10
  327 7 7
  328 19 19
  330 8 8
  331 41 41
  332 33 33
  333 21 21
  334 10 10
  335 4 4
  336 8 8
  339 5 5
  340 4 4
  341 46 46
  342 19 19
  343 23 23
  344 7 7
  348 4 4
  352 4 4
  356 8 8
  357 261 261
  358 84 84
  359 29 29
  360 21 21
  362 4 4
  367 7 7
  368 1 1
  369 17 17
  370 12 12
  371 17 17
  372 17 17
  374 12 12
  376 9 9
  380 4 4
  381 8 8
  382 5 5
  384 22 22
  385 21 21
  386 117 117
  387 840 840
  388 464 464
  389 230 230
  390 80 80
  391 24 24
  392 5 5
  395 7 7
  399 15 15
  401 9 9
  403 12 12
  404 9 9
  405 16 16
  407 10 10
  408 8 8
  409 13 13
  412 4 4
  420 4 4
  423 4 4
  428 2 2
  430 4 4
  437 14 14
  441 2 2
  443 12 12
  444 9 9
  446 9 9
  453 9 9
  455 1 1
  456 9 9
  459 9 9
  463 5 5
  465 9 9
  470 9 9
  471 73 73
  472 53 53
  473 36 36
  474 4 4
  475 22 22
  478 19 19
  480 2 2
  481 6 6
  483 12 12
  485 1 1
  487 7 7
  493 21 21
  494 4 4
  497 3 3
  500 24 24
//