ACCESSION: MSBNK-RIKEN-PR010085
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$CHROMATOGRAPHY: RETENTION_INDEX 1900.4
AC$CHROMATOGRAPHY: RETENTION_TIME 461.491 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$SPLASH: splash10-00di-9840000000-8e49f8e2140e97ecd440
PK$NUM_PEAK: 190
PK$PEAK: m/z int. rel.int.
  60 5 5
  61 7 7
  65 2 2
  66 7 7
  67 3 3
  69 11 11
  70 5 5
  71 5 5
  72 19 19
  73 999 999
  74 88 88
  75 103 103
  76 9 9
  77 9 9
  81 20 20
  82 1 1
  83 3 3
  84 2 2
  85 6 6
  86 2 2
  87 9 9
  88 5 5
  89 23 23
  90 2 2
  91 1 1
  93 1 1
  94 1 1
  96 1 1
  97 4 4
  98 1 1
  99 5 5
  100 3 3
  101 31 31
  102 5 5
  103 210 210
  104 21 21
  105 11 11
  109 2 2
  111 9 9
  112 1 1
  113 4 4
  114 2 2
  115 10 10
  116 18 18
  117 109 109
  118 11 11
  119 11 11
  120 1 1
  121 1 1
  125 1 1
  126 1 1
  127 3 3
  128 1 1
  129 80 80
  130 10 10
  131 22 22
  132 3 3
  133 65 65
  134 9 9
  135 7 7
  136 1 1
  138 1 1
  139 1 1
  141 2 2
  142 4 4
  143 17 17
  144 2 2
  145 4 4
  146 1 1
  147 222 222
  148 33 33
  149 33 33
  150 4 4
  151 2 2
  153 1 1
  154 1 1
  155 8 8
  156 1 1
  157 19 19
  158 3 3
  159 5 5
  160 1 1
  161 3 3
  162 1 1
  163 7 7
  164 1 1
  166 1 1
  167 4 4
  168 1 1
  169 4 4
  170 4 4
  171 16 16
  172 2 2
  173 4 4
  174 4 4
  175 19 19
  176 4 4
  177 8 8
  178 1 1
  183 20 20
  184 3 3
  185 5 5
  186 1 1
  187 2 2
  188 11 11
  189 63 63
  190 13 13
  191 25 25
  192 4 4
  193 4 4
  197 1 1
  200 1 1
  201 7 7
  202 1 1
  203 10 10
  204 37 37
  205 70 70
  206 14 14
  207 16 16
  208 3 3
  209 3 3
  215 2 2
  216 2 2
  217 283 283
  218 60 60
  219 27 27
  220 4 4
  221 16 16
  222 3 3
  223 1 1
  227 1 1
  229 3 3
  230 9 9
  231 37 37
  232 8 8
  233 3 3
  234 1 1
  243 1 1
  244 1 1
  245 4 4
  246 1 1
  247 1 1
  249 1 1
  250 1 1
  255 2 2
  256 1 1
  257 10 10
  258 2 2
  259 6 6
  260 2 2
  261 3 3
  262 1 1
  263 6 6
  264 1 1
  265 1 1
  272 2 2
  273 9 9
  274 1 1
  277 2 2
  278 1 1
  279 1 1
  285 4 4
  286 1 1
  299 2 2
  300 1 1
  305 1 1
  307 7 7
  308 2 2
  309 1 1
  320 3 3
  321 12 12
  322 3 3
  323 1 1
  332 3 3
  333 11 11
  334 3 3
  335 1 1
  346 1 1
  347 1 1
  362 1 1
  373 1 1
  374 4 4
  375 15 15
  376 5 5
  377 1 1
  378 1 1
  666 1 1
  667 1 1
  712 1 1
  753 1 1
//