ACCESSION: MSBNK-RIKEN-PR010042
RECORD_TITLE: D-(-)-Fructose; GC-EI-TOF; MS; 5 TMS; 1 MEOX; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: D-(-)-Fructose
CH$NAME: Levulose
CH$NAME: Fruit sugar
CH$NAME: D-arabino-Hexulose
CH$NAME: D-Fructose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₂O₆
CH$EXACT_MASS: 180.06339
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)C(O)(CO)1
CH$IUPAC: InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1
CH$LINK: CAS 57-48-7
CH$LINK: CHEBI 15824
CH$LINK: KEGG C00095
CH$LINK: NIKKAJI J4.580B
CH$LINK: PUBCHEM 3395
CH$LINK: INCHIKEY RFSUNEUAIZKAJO-VRPWFDPXSA-N
CH$LINK: COMPTOX DTXSID0058722

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$CHROMATOGRAPHY: RETENTION_INDEX 1864.3
AC$CHROMATOGRAPHY: RETENTION_TIME 455.767 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C22H55NO6Si5
MS$FOCUSED_ION: DERIVATIVE_MASS 569.28757
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS; 1 MEOX
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9720000000-7c9067f4d2545291e98b
PK$NUM_PEAK: 139
PK$PEAK: m/z int. rel.int.
  60 6 6
  61 7 7
  66 4 4
  67 2 2
  69 1 1
  70 6 6
  71 3 3
  72 16 16
  73 999 999
  74 85 85
  75 58 58
  76 4 4
  77 7 7
  82 7 7
  83 2 2
  84 51 51
  85 7 7
  86 3 3
  87 6 6
  88 4 4
  89 78 78
  90 7 7
  91 3 3
  98 1 1
  99 3 3
  100 9 9
  101 15 15
  102 5 5
  103 441 441
  104 43 43
  105 26 26
  106 2 2
  110 1 1
  111 1 1
  113 6 6
  114 40 40
  115 10 10
  116 6 6
  117 49 49
  118 6 6
  119 8 8
  120 1 1
  126 2 2
  127 2 2
  128 3 3
  129 34 34
  130 7 7
  131 18 18
  132 3 3
  133 49 49
  134 6 6
  135 4 4
  140 1 1
  141 1 1
  142 5 5
  143 7 7
  144 2 2
  145 4 4
  146 1 1
  147 180 180
  148 28 28
  149 19 19
  150 2 2
  151 1 1
  156 2 2
  157 6 6
  158 2 2
  159 1 1
  161 1 1
  163 5 5
  164 1 1
  168 1 1
  170 2 2
  172 7 7
  173 15 15
  174 4 4
  175 5 5
  176 1 1
  177 2 2
  180 1 1
  186 1 1
  188 1 1
  189 20 20
  190 5 5
  191 15 15
  192 2 2
  193 1 1
  196 1 1
  198 2 2
  200 1 1
  201 7 7
  202 6 6
  203 4 4
  204 14 14
  205 21 21
  206 4 4
  207 4 4
  214 1 1
  216 3 3
  217 238 238
  218 49 49
  219 21 21
  220 3 3
  221 5 5
  222 1 1
  229 1 1
  230 1 1
  231 5 5
  232 1 1
  244 3 3
  245 2 2
  246 1 1
  256 1 1
  262 10 10
  263 7 7
  264 2 2
  265 1 1
  268 1 1
  276 1 1
  277 15 15
  278 6 6
  279 2 2
  291 2 2
  305 1 1
  306 1 1
  307 78 78
  308 23 23
  309 11 11
  310 2 2
  319 2 2
  333 1 1
  334 2 2
  335 4 4
  336 2 2
  350 1 1
  364 10 10
  365 3 3
  366 1 1
  554 1 1
//