ACCESSION: MSBNK-Osaka_Univ-OUF00230
RECORD_TITLE: D-(-)-Fructose; GC-EI-TOF; MS; n TMS; RT:715.909 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$NAME: D-(-)-Fructose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₂O₆
CH$EXACT_MASS: 180.06339
CH$SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO
CH$IUPAC: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1
CH$LINK: CAS 57-48-7
CH$LINK: CHEBI 48095
CH$LINK: CHEMSPIDER 5764
CH$LINK: KEGG C10906 D00114
CH$LINK: PUBCHEM CID:5984
CH$LINK: INCHIKEY BJHIKXHVCXFQLS-UYFOZJQFSA-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$CHROMATOGRAPHY: RETENTION_INDEX 1859.918
AC$CHROMATOGRAPHY: RETENTION_TIME 715.909 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0uxr-0930000000-8b1def66209ec997838e
PK$NUM_PEAK: 188
PK$PEAK: m/z int. rel.int.
  85 26 26
  86 13 13
  87 20 20
  88 19 19
  89 212 212
  90 19 19
  91 10 10
  92 1 1
  94 2 2
  95 1 1
  96 1 1
  97 2 2
  98 7 7
  99 11 11
  100 30 30
  101 49 49
  102 16 16
  103 999 999
  104 100 100
  105 65 65
  106 6 6
  107 1 1
  110 3 3
  111 5 5
  112 2 2
  113 19 19
  114 136 136
  115 30 30
  116 21 21
  117 149 149
  118 19 19
  119 26 26
  120 3 3
  121 1 1
  124 1 1
  125 1 1
  126 7 7
  127 7 7
  128 10 10
  129 106 106
  130 24 24
  131 54 54
  132 10 10
  133 140 140
  134 19 19
  135 13 13
  136 1 1
  140 2 2
  141 4 4
  142 15 15
  143 22 22
  144 6 6
  145 12 12
  146 3 3
  147 490 490
  148 80 80
  149 57 57
  150 7 7
  151 3 3
  152 2 2
  154 2 2
  155 2 2
  156 8 8
  157 20 20
  158 8 8
  159 6 6
  160 2 2
  161 4 4
  162 1 1
  163 16 16
  164 2 2
  165 1 1
  166 1 1
  168 6 6
  169 2 2
  170 7 7
  171 2 2
  172 19 19
  173 35 35
  174 12 12
  175 16 16
  176 3 3
  177 7 7
  178 1 1
  180 3 3
  182 1 1
  184 1 1
  185 1 1
  186 4 4
  187 2 2
  188 5 5
  189 57 57
  190 15 15
  191 43 43
  192 9 9
  193 4 4
  196 3 3
  198 7 7
  199 1 1
  200 4 4
  201 18 18
  202 17 17
  203 11 11
  204 42 42
  205 56 56
  206 14 14
  207 11 11
  208 2 2
  214 5 5
  215 3 3
  216 9 9
  217 538 538
  218 118 118
  219 54 54
  220 8 8
  221 17 17
  222 4 4
  223 2 2
  228 2 2
  229 5 5
  230 5 5
  231 14 14
  232 5 5
  233 2 2
  240 2 2
  241 1 1
  242 2 2
  243 1 1
  244 10 10
  245 5 5
  246 3 3
  247 1 1
  254 1 1
  255 1 1
  256 4 4
  257 1 1
  258 1 1
  260 2 2
  261 1 1
  262 27 27
  263 18 18
  264 6 6
  265 3 3
  268 2 2
  269 1 1
  270 2 2
  272 1 1
  275 1 1
  276 3 3
  277 36 36
  278 16 16
  279 7 7
  280 1 1
  288 2 2
  289 1 1
  291 7 7
  292 2 2
  293 1 1
  300 1 1
  302 1 1
  305 3 3
  306 5 5
  307 165 165
  308 54 54
  309 25 25
  310 6 6
  311 1 1
  318 2 2
  319 6 6
  320 2 2
  321 1 1
  330 2 2
  332 1 1
  333 4 4
  334 5 5
  335 11 11
  336 6 6
  337 2 2
  350 2 2
  358 1 1
  363 1 1
  364 23 23
  365 9 9
  366 4 4
  367 1 1
  376 1 1
  390 1 1
  464 1 1
//