ACCESSION: MSBNK-Kazusa-KZ000187
RECORD_TITLE: D-(-)-Mannitol; GC-EI-TOF; MS; 6 TMS; BP:147
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_01472_P000047

CH$NAME: D-(-)-Mannitol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₄O₆
CH$EXACT_MASS: 182.07904
CH$SMILES: OCC([H])(O)C([H])(O)C([H])(O)C([H])(O)CO
CH$IUPAC: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
CH$LINK: CAS 69-65-8
CH$LINK: KEGG C00392
CH$LINK: INCHIKEY FBPFZTCFMRRESA-KVTDHHQDSA-N
CH$LINK: COMPTOX DTXSID1023235

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 1803.1
AC$CHROMATOGRAPHY: RETENTION_TIME 837.563 sec

MS$FOCUSED_ION: BASE_PEAK 147
MS$FOCUSED_ION: DERIVATIVE_TYPE 6 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0ktb-0931000000-b481d576c5f24dd1b1d5
PK$NUM_PEAK: 188
PK$PEAK: m/z int. rel.int.
  82 1 1
  83 37 37
  84 6 6
  85 13 13
  86 4 4
  87 25 25
  88 18 18
  89 104 104
  90 10 10
  91 5 5
  92 1 1
  93 1 1
  94 1 1
  95 2 2
  96 1 1
  97 17 17
  98 2 2
  99 14 14
  100 2 2
  101 85 85
  102 17 17
  103 670 670
  104 67 67
  105 34 34
  106 2 2
  107 1 1
  108 1 1
  109 1 1
  111 10 10
  112 2 2
  113 17 17
  114 3 3
  115 20 20
  116 24 24
  117 355 355
  118 37 37
  119 30 30
  120 3 3
  121 2 2
  125 2 2
  126 1 1
  127 8 8
  128 2 2
  129 261 261
  130 34 34
  131 88 88
  132 14 14
  133 168 168
  134 24 24
  135 15 15
  136 1 1
  137 1 1
  139 1 1
  140 1 1
  141 6 6
  142 4 4
  143 39 39
  144 5 5
  145 10 10
  146 3 3
  147 999 999
  148 165 165
  149 101 101
  150 11 11
  151 5 5
  152 1 1
  153 2 2
  154 1 1
  155 10 10
  156 3 3
  157 166 166
  158 22 22
  159 13 13
  160 2 2
  161 7 7
  162 1 1
  163 13 13
  164 2 2
  165 1 1
  167 2 2
  168 1 1
  169 8 8
  170 2 2
  171 1 1
  172 1 1
  173 3 3
  174 1 1
  175 17 17
  176 3 3
  177 8 8
  178 1 1
  179 1 1
  180 1 1
  181 1 1
  182 1 1
  183 16 16
  184 3 3
  185 2 2
  186 1 1
  187 2 2
  188 1 1
  189 84 84
  190 22 22
  191 64 64
  192 12 12
  193 6 6
  194 1 1
  201 5 5
  202 2 2
  203 12 12
  204 101 101
  205 458 458
  206 94 94
  207 50 50
  208 8 8
  209 2 2
  215 4 4
  216 2 2
  217 384 384
  218 85 85
  219 38 38
  220 6 6
  221 26 26
  222 6 6
  223 3 3
  224 1 1
  229 47 47
  230 16 16
  231 31 31
  232 7 7
  233 3 3
  234 1 1
  237 1 1
  239 2 2
  243 4 4
  244 1 1
  245 1 1
  246 1 1
  247 2 2
  248 1 1
  249 1 1
  255 15 15
  256 4 4
  257 5 5
  258 1 1
  259 8 8
  260 2 2
  261 1 1
  263 1 1
  265 4 4
  266 1 1
  273 1 1
  277 17 17
  278 9 9
  279 4 4
  280 1 1
  290 1 1
  291 17 17
  292 5 5
  293 3 3
  304 1 1
  305 16 16
  306 10 10
  307 48 48
  308 15 15
  309 7 7
  310 1 1
  317 1 1
  318 12 12
  319 304 304
  320 95 95
  321 46 46
  322 10 10
  323 2 2
  329 1 1
  330 1 1
  331 15 15
  332 4 4
  333 2 2
  344 1 1
  345 13 13
  346 4 4
  347 2 2
  419 4 4
  420 3 3
  421 7 7
  422 3 3
  423 1 1
//