ACCESSION: MSBNK-Kazusa-KZ000246
RECORD_TITLE: Myo-Inositol; 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_01722_P000145

CH$NAME: Myo-Inositol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₂O₆
CH$EXACT_MASS: 180.06339
CH$SMILES: O[C@H]([C@@H](O)1)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)1
CH$IUPAC: InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
CH$LINK: CAS 87-89-8
CH$LINK: KEGG C00137
CH$LINK: INCHIKEY CDAISMWEOUEBRE-GPIVLXJGSA-N
CH$LINK: COMPTOX DTXSID7023146

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 1972.2
AC$CHROMATOGRAPHY: RETENTION_TIME 913.044 sec

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

PK$SPLASH: splash10-014j-0953000000-1571a0577293e96091b1
PK$NUM_PEAK: 215
PK$PEAK: m/z int. rel.int.
  82 2 2
  83 8 8
  85 8 8
  86 1 1
  87 10 10
  88 2 2
  89 5 5
  95 1 1
  97 2 2
  98 1 1
  99 9 9
  100 1 1
  101 22 22
  102 8 8
  103 182 182
  104 19 19
  105 12 12
  106 1 1
  107 1 1
  109 4 4
  111 9 9
  112 2 2
  113 9 9
  114 2 2
  115 8 8
  116 11 11
  117 18 18
  118 3 3
  119 10 10
  120 2 2
  121 1 1
  125 2 2
  126 1 1
  127 11 11
  128 2 2
  129 228 228
  130 30 30
  131 78 78
  132 12 12
  133 144 144
  134 22 22
  135 13 13
  136 1 1
  137 1 1
  139 2 2
  140 1 1
  141 6 6
  142 6 6
  143 72 72
  144 10 10
  145 11 11
  146 3 3
  147 999 999
  148 156 156
  149 83 83
  150 9 9
  151 4 4
  152 1 1
  153 3 3
  154 1 1
  155 5 5
  156 4 4
  157 17 17
  158 3 3
  159 5 5
  160 1 1
  161 14 14
  162 2 2
  163 5 5
  164 1 1
  165 1 1
  169 3 3
  170 1 1
  171 1 1
  173 2 2
  174 1 1
  175 7 7
  176 2 2
  177 12 12
  178 3 3
  179 2 2
  181 2 2
  183 1 1
  185 2 2
  186 1 1
  187 2 2
  188 1 1
  189 33 33
  190 31 31
  191 393 393
  192 75 75
  193 34 34
  194 4 4
  195 1 1
  197 1 1
  199 1 1
  201 3 3
  202 1 1
  203 13 13
  204 133 133
  205 41 41
  206 17 17
  207 20 20
  208 5 5
  209 3 3
  211 1 1
  213 1 1
  215 11 11
  216 5 5
  217 803 803
  218 159 159
  219 70 70
  220 10 10
  221 59 59
  222 17 17
  223 9 9
  224 2 2
  225 1 1
  227 1 1
  228 1 1
  229 3 3
  230 12 12
  231 9 9
  232 3 3
  233 1 1
  235 2 2
  237 1 1
  239 2 2
  240 1 1
  241 1 1
  242 1 1
  243 12 12
  244 4 4
  245 4 4
  246 1 1
  247 1 1
  249 1 1
  250 1 1
  251 1 1
  253 1 1
  255 3 3
  256 1 1
  257 2 2
  258 1 1
  259 1 1
  263 1 1
  264 1 1
  265 108 108
  266 36 36
  267 17 17
  268 4 4
  269 1 1
  270 1 1
  271 3 3
  272 1 1
  277 2 2
  278 2 2
  279 2 2
  280 1 1
  289 1 1
  290 1 1
  291 28 28
  292 11 11
  293 12 12
  294 4 4
  295 1 1
  303 2 2
  304 12 12
  305 443 443
  306 132 132
  307 82 82
  308 18 18
  309 5 5
  310 1 1
  316 2 2
  317 17 17
  318 229 229
  319 101 101
  320 43 43
  321 11 11
  322 2 2
  327 1 1
  329 1 1
  331 2 2
  342 1 1
  343 9 9
  344 4 4
  345 3 3
  346 1 1
  366 1 1
  367 31 31
  368 11 11
  369 6 6
  370 1 1
  378 1 1
  379 2 2
  380 1 1
  392 3 3
  393 16 16
  394 7 7
  395 3 3
  396 1 1
  406 1 1
  407 1 1
  417 2 2
  418 1 1
  419 6 6
  420 3 3
  421 1 1
  431 4 4
  432 47 47
  433 37 37
  434 18 18
  435 7 7
  436 2 2
//