ACCESSION: MSBNK-Kazusa-KZ000186
RECORD_TITLE: D-(-)-Fructose; GC-EI-TOF; MS; 5 TMS; BP:103
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01462_P000135

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: KEGG C10906
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1822.9
AC$CHROMATOGRAPHY: RETENTION_TIME 846.962 sec

MS$FOCUSED_ION: BASE_PEAK 103
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0uxs-1920000000-a09af821de27576754b2
PK$NUM_PEAK: 202
PK$PEAK: m/z int. rel.int.
  82 11 11
  83 5 5
  84 166 166
  85 25 25
  86 12 12
  87 19 19
  88 14 14
  89 216 216
  90 20 20
  91 9 9
  92 1 1
  94 2 2
  95 1 1
  96 1 1
  97 1 1
  98 5 5
  99 10 10
  100 26 26
  101 52 52
  102 15 15
  103 999 999
  104 106 106
  105 67 67
  106 5 5
  107 2 2
  108 1 1
  110 2 2
  111 5 5
  112 2 2
  113 19 19
  114 151 151
  115 33 33
  116 23 23
  117 150 150
  118 19 19
  119 28 28
  120 3 3
  121 1 1
  124 1 1
  125 1 1
  126 7 7
  127 6 6
  128 10 10
  129 110 110
  130 23 23
  131 59 59
  132 10 10
  133 147 147
  134 20 20
  135 12 12
  136 1 1
  138 1 1
  140 2 2
  141 4 4
  142 14 14
  143 20 20
  144 5 5
  145 11 11
  146 3 3
  147 517 517
  148 88 88
  149 57 57
  150 7 7
  151 3 3
  152 2 2
  153 1 1
  154 2 2
  155 2 2
  156 7 7
  157 18 18
  158 7 7
  159 6 6
  160 2 2
  161 3 3
  162 1 1
  163 16 16
  164 3 3
  165 2 2
  166 1 1
  168 4 4
  169 2 2
  170 6 6
  171 2 2
  172 21 21
  173 30 30
  174 10 10
  175 14 14
  176 3 3
  177 6 6
  178 1 1
  179 1 1
  180 3 3
  181 1 1
  182 2 2
  184 1 1
  185 1 1
  186 3 3
  187 2 2
  188 4 4
  189 57 57
  190 14 14
  191 36 36
  192 7 7
  193 3 3
  196 2 2
  198 5 5
  199 1 1
  200 3 3
  201 14 14
  202 13 13
  203 9 9
  204 44 44
  205 56 56
  206 13 13
  207 10 10
  208 2 2
  214 4 4
  215 2 2
  216 8 8
  217 460 460
  218 105 105
  219 47 47
  220 7 7
  221 14 14
  222 3 3
  223 1 1
  228 2 2
  229 3 3
  230 5 5
  231 11 11
  232 4 4
  233 1 1
  240 2 2
  242 2 2
  243 1 1
  244 9 9
  245 5 5
  246 3 3
  247 2 2
  248 1 1
  254 1 1
  255 1 1
  256 4 4
  257 1 1
  258 1 1
  260 2 2
  261 1 1
  262 31 31
  263 15 15
  264 5 5
  265 2 2
  268 2 2
  269 1 1
  270 2 2
  271 1 1
  272 1 1
  275 1 1
  276 2 2
  277 36 36
  278 14 14
  279 6 6
  280 1 1
  288 2 2
  291 6 6
  292 2 2
  293 1 1
  300 2 2
  302 2 2
  303 1 1
  304 1 1
  305 4 4
  306 4 4
  307 159 159
  308 49 49
  309 24 24
  310 5 5
  311 1 1
  318 2 2
  319 5 5
  320 2 2
  330 2 2
  331 1 1
  332 1 1
  333 5 5
  334 4 4
  335 7 7
  336 4 4
  337 1 1
  344 1 1
  350 2 2
  358 1 1
  363 1 1
  364 19 19
  365 6 6
  366 3 3
  376 2 2
  390 1 1
  432 1 1
  433 1 1
  464 1 1
  465 1 1
  466 1 1
//