ACCESSION: MSBNK-RIKEN-PR010084
RECORD_TITLE: L-Iditol; GC-EI-TOF; MS; n TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

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: CHEBI 18202
CH$LINK: KEGG C01507
CH$LINK: NIKKAJI J92.811I
CH$LINK: PUBCHEM 4675
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 1888.4
AC$CHROMATOGRAPHY: RETENTION_TIME 458.983 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C{6+3*n}H{14+8*n}O6Si{n}
MS$FOCUSED_ION: DERIVATIVE_MASS 182.07904+72.03953*n
MS$FOCUSED_ION: DERIVATIVE_TYPE n TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9840000000-8f74ce0488cf916bd7d8
PK$NUM_PEAK: 162
PK$PEAK: m/z int. rel.int.
  60 4 4
  61 7 7
  65 1 1
  66 6 6
  67 3 3
  69 9 9
  70 4 4
  71 4 4
  72 17 17
  73 999 999
  74 83 83
  75 96 96
  76 8 8
  77 9 9
  78 1 1
  81 9 9
  82 1 1
  83 3 3
  84 1 1
  85 5 5
  86 1 1
  87 6 6
  88 4 4
  89 31 31
  90 3 3
  91 1 1
  95 1 1
  97 4 4
  98 1 1
  99 5 5
  100 2 2
  101 36 36
  102 4 4
  103 102 102
  104 9 9
  105 5 5
  109 1 1
  111 9 9
  113 4 4
  114 1 1
  115 9 9
  116 30 30
  117 135 135
  118 14 14
  119 11 11
  120 1 1
  125 1 1
  127 3 3
  129 95 95
  130 11 11
  131 22 22
  132 3 3
  133 61 61
  134 8 8
  135 7 7
  141 2 2
  142 5 5
  143 19 19
  144 2 2
  145 4 4
  146 1 1
  147 264 264
  148 43 43
  149 36 36
  150 4 4
  151 2 2
  155 9 9
  156 2 2
  157 18 18
  158 3 3
  159 5 5
  160 1 1
  161 3 3
  163 4 4
  167 4 4
  168 1 1
  169 4 4
  170 5 5
  171 19 19
  172 3 3
  173 4 4
  174 3 3
  175 17 17
  176 3 3
  177 6 6
  178 1 1
  183 23 23
  184 11 11
  185 8 8
  186 1 1
  187 1 1
  188 9 9
  189 60 60
  190 12 12
  191 29 29
  192 4 4
  193 5 5
  203 9 9
  204 35 35
  205 267 267
  206 53 53
  207 36 36
  208 6 6
  209 3 3
  215 1 1
  217 13 13
  218 3 3
  219 4 4
  221 17 17
  222 4 4
  223 2 2
  229 2 2
  230 3 3
  231 10 10
  232 2 2
  233 1 1
  239 1 1
  243 3 3
  244 2 2
  245 4 4
  246 1 1
  247 1 1
  249 1 1
  255 2 2
  256 1 1
  257 13 13
  258 4 4
  259 11 11
  260 2 2
  261 1 1
  262 1 1
  263 6 6
  264 1 1
  265 1 1
  272 3 3
  273 13 13
  274 3 3
  275 2 2
  284 6 6
  285 26 26
  286 6 6
  287 2 2
  298 1 1
  299 1 1
  317 1 1
  332 1 1
  333 5 5
  334 1 1
  346 1 1
  347 4 4
  348 1 1
  362 6 6
  363 22 22
  364 6 6
  365 3 3
  373 1 1
  374 5 5
  375 18 18
  376 6 6
  377 2 2
  388 2 2
  389 1 1
//