ACCESSION: MSBNK-Kazusa-KZ000247
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_P000146

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 1973.3
AC$CHROMATOGRAPHY: RETENTION_TIME 913.494 sec

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

PK$SPLASH: splash10-00kb-0932000000-96ddc21293431d746ad2
PK$NUM_PEAK: 181
PK$PEAK: m/z int. rel.int.
  82 2 2
  83 12 12
  84 9 9
  85 14 14
  86 3 3
  87 18 18
  88 5 5
  89 10 10
  90 1 1
  91 3 3
  92 1 1
  93 1 1
  94 1 1
  95 2 2
  96 1 1
  97 3 3
  98 2 2
  99 14 14
  100 2 2
  101 33 33
  102 11 11
  103 212 212
  104 20 20
  105 15 15
  106 1 1
  107 1 1
  109 6 6
  111 17 17
  112 2 2
  113 14 14
  114 2 2
  115 17 17
  116 19 19
  117 30 30
  118 4 4
  119 18 18
  120 2 2
  121 1 1
  125 3 3
  126 1 1
  127 11 11
  128 2 2
  129 223 223
  130 23 23
  131 101 101
  132 15 15
  133 215 215
  134 28 28
  135 18 18
  136 2 2
  137 1 1
  139 2 2
  140 1 1
  141 6 6
  142 5 5
  143 70 70
  144 9 9
  145 9 9
  146 3 3
  147 999 999
  148 144 144
  149 94 94
  150 10 10
  151 8 8
  152 1 1
  153 4 4
  154 1 1
  155 5 5
  156 5 5
  157 18 18
  158 2 2
  159 5 5
  160 1 1
  161 14 14
  162 2 2
  163 6 6
  164 1 1
  165 1 1
  167 1 1
  169 5 5
  170 1 1
  171 1 1
  173 3 3
  175 12 12
  176 2 2
  177 21 21
  178 3 3
  179 2 2
  181 3 3
  183 1 1
  185 2 2
  187 1 1
  189 35 35
  190 23 23
  191 223 223
  192 36 36
  193 19 19
  194 2 2
  195 1 1
  197 1 1
  199 1 1
  201 3 3
  203 13 13
  204 148 148
  205 36 36
  206 11 11
  207 22 22
  208 4 4
  209 2 2
  213 1 1
  215 10 10
  216 4 4
  217 568 568
  218 110 110
  219 44 44
  220 5 5
  221 74 74
  222 15 15
  223 8 8
  224 1 1
  227 1 1
  228 1 1
  229 2 2
  230 12 12
  231 7 7
  232 2 2
  235 1 1
  239 2 2
  243 11 11
  244 2 2
  245 3 3
  249 1 1
  255 2 2
  257 1 1
  264 2 2
  265 49 49
  266 5 5
  267 3 3
  271 2 2
  277 1 1
  278 1 1
  279 1 1
  289 1 1
  290 2 2
  291 33 33
  292 7 7
  293 10 10
  294 1 1
  295 1 1
  303 2 2
  304 17 17
  305 360 360
  306 120 120
  307 39 39
  308 7 7
  309 1 1
  316 1 1
  317 12 12
  318 139 139
  319 53 53
  320 20 20
  321 4 4
  322 1 1
  329 1 1
  331 1 1
  342 1 1
  343 4 4
  344 1 1
  345 1 1
  366 2 2
  367 5 5
  368 1 1
  392 2 2
  393 4 4
  417 1 1
  418 1 1
  419 1 1
  431 4 4
  432 5 5
  433 3 3
  434 1 1
//