ACCESSION: MSBNK-Osaka_Univ-OUF00229
RECORD_TITLE: D-(-)-Fructose; GC-EI-TOF; MS; n TMS; RT:712.159 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$CHROMATOGRAPHY: RETENTION_INDEX 1850.882
AC$CHROMATOGRAPHY: RETENTION_TIME 712.159 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0uxr-0930000000-82a04b21f0be02924ff8
PK$NUM_PEAK: 180
PK$PEAK: m/z int. rel.int.
  85 12 12
  86 6 6
  87 15 15
  88 16 16
  89 152 152
  90 14 14
  91 8 8
  92 1 1
  94 2 2
  96 1 1
  97 1 1
  98 5 5
  99 9 9
  100 27 27
  101 38 38
  102 12 12
  103 999 999
  104 97 97
  105 49 49
  106 3 3
  107 1 1
  110 1 1
  111 3 3
  112 2 2
  113 13 13
  114 36 36
  115 17 17
  116 14 14
  117 141 141
  118 17 17
  119 20 20
  120 2 2
  121 1 1
  126 7 7
  127 4 4
  128 8 8
  129 91 91
  130 19 19
  131 50 50
  132 9 9
  133 161 161
  134 21 21
  135 12 12
  136 1 1
  140 3 3
  141 2 2
  142 10 10
  143 18 18
  144 5 5
  145 11 11
  146 4 4
  147 392 392
  148 63 63
  149 42 42
  150 5 5
  151 3 3
  152 1 1
  154 2 2
  155 1 1
  156 5 5
  157 16 16
  158 7 7
  159 6 6
  160 2 2
  161 4 4
  163 18 18
  164 2 2
  165 1 1
  168 3 3
  169 1 1
  170 2 2
  171 1 1
  172 30 30
  173 38 38
  174 9 9
  175 13 13
  176 3 3
  177 9 9
  178 1 1
  180 2 2
  182 1 1
  184 1 1
  185 1 1
  186 4 4
  187 2 2
  188 5 5
  189 61 61
  190 15 15
  191 34 34
  192 7 7
  193 4 4
  196 1 1
  198 2 2
  200 3 3
  201 18 18
  202 12 12
  203 9 9
  204 33 33
  205 45 45
  206 11 11
  207 12 12
  208 2 2
  209 1 1
  214 6 6
  215 2 2
  216 10 10
  217 468 468
  218 99 99
  219 46 46
  220 8 8
  221 14 14
  222 3 3
  223 2 2
  228 1 1
  229 3 3
  230 7 7
  231 14 14
  232 5 5
  233 2 2
  235 3 3
  240 2 2
  242 2 2
  243 1 1
  244 6 6
  245 2 2
  246 2 2
  247 2 2
  248 1 1
  254 1 1
  256 7 7
  257 1 1
  258 1 1
  260 5 5
  261 3 3
  262 6 6
  263 13 13
  264 3 3
  265 2 2
  266 1 1
  268 1 1
  270 1 1
  272 1 1
  274 1 1
  275 1 1
  276 4 4
  277 33 33
  278 13 13
  279 6 6
  280 1 1
  288 3 3
  291 9 9
  292 2 2
  293 1 1
  300 1 1
  302 2 2
  303 1 1
  304 1 1
  305 2 2
  306 4 4
  307 148 148
  308 48 48
  309 23 23
  310 5 5
  311 1 1
  318 2 2
  319 2 2
  320 1 1
  330 2 2
  332 1 1
  333 3 3
  334 5 5
  335 11 11
  336 4 4
  337 1 1
  350 1 1
  363 1 1
  364 19 19
  365 8 8
  366 4 4
  367 1 1
//