ACCESSION: MSBNK-Kazusa-KZ000048
RECORD_TITLE: L-Iditol; 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_01565_P000102

CH$NAME: L-Iditol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₄O₆
CH$EXACT_MASS: 182.07904
CH$SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
CH$IUPAC: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5+,6+/m0/s1
CH$LINK: CAS 488-45-9
CH$LINK: KEGG C01507
CH$LINK: INCHIKEY FBPFZTCFMRRESA-UNTFVMJOSA-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 1829.7
AC$CHROMATOGRAPHY: RETENTION_TIME 848.913 sec

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

PK$SPLASH: splash10-0gba-0931000000-50226a33e0e29a470510
PK$NUM_PEAK: 192
PK$PEAK: m/z int. rel.int.
  82 1 1
  83 34 34
  84 6 6
  85 15 15
  86 4 4
  87 27 27
  88 21 21
  89 113 113
  90 11 11
  91 6 6
  92 1 1
  93 1 1
  94 1 1
  95 2 2
  96 1 1
  97 23 23
  98 3 3
  99 16 16
  100 3 3
  101 96 96
  102 19 19
  103 790 790
  104 81 81
  105 40 40
  106 3 3
  107 1 1
  108 1 1
  109 1 1
  111 12 12
  112 2 2
  113 19 19
  114 3 3
  115 23 23
  116 27 27
  117 384 384
  118 41 41
  119 34 34
  120 3 3
  121 2 2
  125 2 2
  126 1 1
  127 10 10
  128 2 2
  129 295 295
  130 37 37
  131 94 94
  132 14 14
  133 186 186
  134 26 26
  135 17 17
  136 1 1
  137 1 1
  139 1 1
  140 1 1
  141 6 6
  142 4 4
  143 45 45
  144 6 6
  145 12 12
  146 3 3
  147 999 999
  148 168 168
  149 102 102
  150 11 11
  151 6 6
  152 1 1
  153 2 2
  154 1 1
  155 11 11
  156 3 3
  157 165 165
  158 22 22
  159 14 14
  160 2 2
  161 8 8
  162 2 2
  163 15 15
  164 2 2
  165 1 1
  167 3 3
  168 1 1
  169 13 13
  170 2 2
  171 2 2
  172 1 1
  173 3 3
  174 1 1
  175 21 21
  176 4 4
  177 10 10
  178 2 2
  179 1 1
  181 1 1
  182 1 1
  183 19 19
  184 3 3
  185 2 2
  186 1 1
  187 2 2
  188 1 1
  189 89 89
  190 25 25
  191 81 81
  192 15 15
  193 8 8
  194 1 1
  201 4 4
  202 2 2
  203 11 11
  204 101 101
  205 403 403
  206 85 85
  207 45 45
  208 7 7
  209 2 2
  215 5 5
  216 2 2
  217 554 554
  218 124 124
  219 56 56
  220 9 9
  221 26 26
  222 6 6
  223 3 3
  224 1 1
  229 47 47
  230 16 16
  231 47 47
  232 10 10
  233 4 4
  234 1 1
  235 1 1
  237 1 1
  239 3 3
  240 1 1
  241 1 1
  243 6 6
  244 1 1
  245 1 1
  246 1 1
  247 4 4
  248 1 1
  249 1 1
  250 1 1
  255 19 19
  256 5 5
  257 6 6
  258 1 1
  259 13 13
  260 3 3
  261 1 1
  263 1 1
  265 5 5
  266 1 1
  267 1 1
  273 1 1
  277 25 25
  278 13 13
  279 5 5
  280 1 1
  291 15 15
  292 5 5
  293 2 2
  305 16 16
  306 12 12
  307 81 81
  308 24 24
  309 12 12
  310 2 2
  317 1 1
  318 7 7
  319 268 268
  320 83 83
  321 40 40
  322 9 9
  323 2 2
  329 2 2
  330 2 2
  331 24 24
  332 7 7
  333 4 4
  334 1 1
  344 1 1
  345 12 12
  346 4 4
  347 2 2
  409 2 2
  419 6 6
  420 3 3
  421 7 7
  422 2 2
  423 1 1
//