ACCESSION: MSBNK-Osaka_Univ-OUF00165
RECORD_TITLE: D-Fructose 6-phosphate; GC-EI-TOF; MS; n TMS; RT:880.7606729 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$CHROMATOGRAPHY: RETENTION_INDEX 2301.559
AC$CHROMATOGRAPHY: RETENTION_TIME 880.7606729 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-000j-0925000000-a6b6a121cb447c890019
PK$NUM_PEAK: 136
PK$PEAK: m/z int. rel.int.
  86 13 13
  87 13 13
  88 12 12
  89 371 371
  90 21 21
  93 6 6
  100 21 21
  101 380 380
  102 84 84
  103 406 406
  104 54 54
  105 87 87
  109 2 2
  111 24 24
  112 12 12
  113 50 50
  114 27 27
  115 34 34
  116 100 100
  117 35 35
  118 25 25
  119 53 53
  125 10 10
  126 4 4
  127 6 6
  129 597 597
  130 98 98
  131 248 248
  133 526 526
  134 34 34
  135 102 102
  138 17 17
  142 8 8
  143 73 73
  147 829 829
  148 111 111
  149 100 100
  150 16 16
  151 25 25
  156 39 39
  157 274 274
  158 42 42
  159 30 30
  160 249 249
  161 85 85
  162 34 34
  163 23 23
  164 6 6
  170 4 4
  172 5 5
  175 9 9
  177 9 9
  180 21 21
  181 15 15
  182 6 6
  189 13 13
  190 16 16
  191 19 19
  192 12 12
  193 77 77
  196 8 8
  200 36 36
  203 2 2
  204 64 64
  205 28 28
  206 16 16
  207 19 19
  210 1 1
  211 241 241
  212 35 35
  214 16 16
  215 9 9
  217 215 215
  218 79 79
  220 17 17
  221 6 6
  222 5 5
  225 34 34
  227 53 53
  228 5 5
  229 19 19
  231 36 36
  233 2 2
  237 8 8
  243 8 8
  247 32 32
  251 9 9
  253 24 24
  255 2 2
  267 9 9
  278 4 4
  283 16 16
  285 9 9
  288 9 9
  299 646 646
  300 199 199
  301 54 54
  308 2 2
  313 53 53
  314 8 8
  315 367 367
  316 91 91
  317 19 19
  318 5 5
  320 9 9
  331 21 21
  334 1 1
  341 30 30
  343 12 12
  354 1 1
  357 285 285
  358 54 54
  359 64 64
  360 25 25
  364 19 19
  373 6 6
  386 113 113
  387 999 999
  388 429 429
  389 249 249
  390 64 64
  391 10 10
  396 2 2
  398 15 15
  417 9 9
  424 6 6
  438 1 1
  449 10 10
  452 5 5
  468 12 12
  470 12 12
  471 35 35
  472 51 51
  475 1 1
  481 10 10
  491 10 10
//