ACCESSION: MSBNK-RIKEN-PR010041
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$CHROMATOGRAPHY: RETENTION_INDEX 1855.5
AC$CHROMATOGRAPHY: RETENTION_TIME 453.919 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$SPLASH: splash10-0fk9-9820000000-43a516d59c827a67e7e8
PK$NUM_PEAK: 138
PK$PEAK: m/z int. rel.int.
  60 4 4
  61 6 6
  66 4 4
  67 1 1
  69 1 1
  70 4 4
  71 4 4
  72 18 18
  73 999 999
  74 86 86
  75 51 51
  76 3 3
  77 8 8
  82 4 4
  83 1 1
  84 19 19
  85 4 4
  86 1 1
  87 5 5
  88 5 5
  89 62 62
  90 5 5
  91 2 2
  98 1 1
  99 3 3
  100 11 11
  101 14 14
  102 5 5
  103 501 501
  104 48 48
  105 22 22
  106 1 1
  111 1 1
  113 4 4
  114 12 12
  115 7 7
  116 5 5
  117 53 53
  118 7 7
  119 7 7
  126 2 2
  127 1 1
  128 3 3
  129 36 36
  130 7 7
  131 20 20
  132 3 3
  133 68 68
  134 8 8
  135 4 4
  140 1 1
  141 1 1
  142 4 4
  143 7 7
  144 2 2
  145 5 5
  146 1 1
  147 173 173
  148 26 26
  149 16 16
  150 2 2
  151 1 1
  156 1 1
  157 6 6
  158 2 2
  159 2 2
  161 1 1
  163 7 7
  164 1 1
  168 1 1
  172 14 14
  173 17 17
  174 3 3
  175 5 5
  176 1 1
  177 4 4
  186 1 1
  187 1 1
  188 2 2
  189 26 26
  190 6 6
  191 15 15
  192 2 2
  193 1 1
  200 1 1
  201 8 8
  202 5 5
  203 4 4
  204 12 12
  205 19 19
  206 4 4
  207 5 5
  214 2 2
  216 4 4
  217 233 233
  218 47 47
  219 21 21
  220 3 3
  221 5 5
  222 1 1
  229 1 1
  230 2 2
  231 5 5
  232 1 1
  233 1 1
  235 1 1
  244 2 2
  246 1 1
  247 1 1
  256 3 3
  260 1 1
  261 1 1
  262 2 2
  263 6 6
  264 1 1
  276 1 1
  277 16 16
  278 6 6
  279 2 2
  288 1 1
  291 3 3
  292 1 1
  302 1 1
  305 1 1
  306 1 1
  307 79 79
  308 23 23
  309 11 11
  310 2 2
  318 1 1
  330 1 1
  333 1 1
  334 2 2
  335 5 5
  336 1 1
  364 10 10
  365 3 3
  366 1 1
//