ACCESSION: MSBNK-Kazusa-KZ000185
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_P000134

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 1809.1
AC$CHROMATOGRAPHY: RETENTION_TIME 841.062 sec

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

PK$SPLASH: splash10-0udi-1920000000-edcbda13fc8e7419c818
PK$NUM_PEAK: 178
PK$PEAK: m/z int. rel.int.
  82 6 6
  83 3 3
  84 73 73
  85 13 13
  86 6 6
  87 15 15
  88 14 14
  89 160 160
  90 15 15
  91 7 7
  92 1 1
  94 1 1
  96 1 1
  97 1 1
  98 4 4
  99 8 8
  100 23 23
  101 41 41
  102 12 12
  103 999 999
  104 105 105
  105 49 49
  106 3 3
  107 1 1
  110 1 1
  111 3 3
  112 2 2
  113 12 12
  114 57 57
  115 20 20
  116 16 16
  117 139 139
  118 17 17
  119 21 21
  120 2 2
  121 1 1
  125 1 1
  126 7 7
  127 4 4
  128 8 8
  129 93 93
  130 19 19
  131 54 54
  132 9 9
  133 159 159
  134 21 21
  135 11 11
  136 1 1
  140 2 2
  141 2 2
  142 9 9
  143 16 16
  144 4 4
  145 10 10
  146 3 3
  147 415 415
  148 70 70
  149 43 43
  150 5 5
  151 2 2
  152 1 1
  154 2 2
  155 1 1
  156 4 4
  157 15 15
  158 6 6
  159 5 5
  160 2 2
  161 3 3
  162 1 1
  163 17 17
  164 3 3
  165 1 1
  166 1 1
  168 2 2
  169 1 1
  170 1 1
  171 1 1
  172 32 32
  173 31 31
  174 8 8
  175 12 12
  176 2 2
  177 7 7
  178 1 1
  179 1 1
  180 2 2
  182 1 1
  184 1 1
  185 1 1
  186 3 3
  187 2 2
  188 5 5
  189 59 59
  190 13 13
  191 30 30
  192 5 5
  193 3 3
  198 1 1
  200 3 3
  201 14 14
  202 10 10
  203 7 7
  204 31 31
  205 46 46
  206 10 10
  207 10 10
  208 2 2
  214 4 4
  215 2 2
  216 8 8
  217 395 395
  218 89 89
  219 40 40
  220 6 6
  221 11 11
  222 2 2
  223 1 1
  228 1 1
  229 2 2
  230 5 5
  231 10 10
  232 3 3
  233 2 2
  235 3 3
  240 1 1
  242 2 2
  243 1 1
  244 5 5
  245 2 2
  246 2 2
  247 2 2
  248 1 1
  254 1 1
  256 5 5
  257 1 1
  258 1 1
  260 6 6
  261 2 2
  262 7 7
  263 9 9
  264 2 2
  265 1 1
  270 1 1
  274 1 1
  275 1 1
  276 3 3
  277 32 32
  278 12 12
  279 5 5
  280 1 1
  288 2 2
  291 7 7
  292 2 2
  293 1 1
  302 2 2
  303 1 1
  304 1 1
  305 2 2
  306 3 3
  307 141 141
  308 43 43
  309 22 22
  310 4 4
  311 1 1
  318 2 2
  319 2 2
  330 2 2
  332 1 1
  333 3 3
  334 4 4
  335 7 7
  336 2 2
  337 1 1
  350 1 1
  364 17 17
  365 5 5
  366 2 2
//