ACCESSION: MSBNK-RIKEN-PR010086
RECORD_TITLE: L-Iditol; GC-EI-TOF; MS; 6 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$CHROMATOGRAPHY: RETENTION_INDEX 1925
AC$CHROMATOGRAPHY: RETENTION_TIME 466.408 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C24H62O6Si6
MS$FOCUSED_ION: DERIVATIVE_MASS 614.3162
MS$FOCUSED_ION: DERIVATIVE_TYPE 6 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9831000000-b584a0f43c4b8154d986
PK$NUM_PEAK: 126
PK$PEAK: m/z int. rel.int.
  60 3 3
  61 4 4
  66 4 4
  67 2 2
  69 4 4
  70 2 2
  71 3 3
  72 17 17
  73 999 999
  74 86 86
  75 49 49
  76 3 3
  77 4 4
  81 2 2
  83 9 9
  84 1 1
  85 3 3
  87 5 5
  88 4 4
  89 25 25
  90 2 2
  91 1 1
  97 6 6
  99 3 3
  101 20 20
  102 4 4
  103 226 226
  104 21 21
  105 9 9
  111 2 2
  113 4 4
  115 5 5
  116 6 6
  117 102 102
  118 10 10
  119 8 8
  127 2 2
  129 72 72
  130 9 9
  131 24 24
  132 3 3
  133 49 49
  134 7 7
  135 4 4
  141 1 1
  142 1 1
  143 13 13
  144 1 1
  145 3 3
  147 278 278
  148 43 43
  149 26 26
  150 2 2
  151 1 1
  155 3 3
  157 45 45
  158 6 6
  159 3 3
  161 2 2
  163 4 4
  169 3 3
  173 1 1
  175 6 6
  176 1 1
  177 3 3
  183 6 6
  184 1 1
  189 26 26
  190 7 7
  191 28 28
  192 5 5
  193 2 2
  201 1 1
  203 3 3
  204 33 33
  205 132 132
  206 26 26
  207 14 14
  208 2 2
  215 1 1
  217 193 193
  218 40 40
  219 17 17
  220 2 2
  221 7 7
  222 1 1
  223 1 1
  229 13 13
  230 4 4
  231 13 13
  232 3 3
  233 1 1
  243 1 1
  247 1 1
  255 6 6
  256 1 1
  257 1 1
  259 4 4
  260 1 1
  265 1 1
  277 7 7
  278 4 4
  279 1 1
  291 5 5
  292 1 1
  305 5 5
  306 4 4
  307 29 29
  308 8 8
  309 4 4
  318 1 1
  319 101 101
  320 31 31
  321 15 15
  322 3 3
  331 9 9
  332 3 3
  333 1 1
  345 4 4
  346 1 1
  409 2 2
  410 1 1
  419 3 3
  420 1 1
  421 3 3
  422 1 1
//