ACCESSION: MSBNK-RIKEN-PR010134
RECORD_TITLE: Ribitol; GC-EI-TOF; MS; 5 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$NAME: Ribitol
CH$NAME: Adonitol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₁₂O₅
CH$EXACT_MASS: 152.06847
CH$SMILES: OC([C@H]([C@H]([C@H](CO)O)O)O)
CH$IUPAC: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-
CH$LINK: CAS 488-81-3
CH$LINK: CHEBI 15963
CH$LINK: CHEMSPIDER 10254628
CH$LINK: INCHIKEY HEBKCHPVOIAQTA-ZXFHETKHSA-N
CH$LINK: KEGG C00474
CH$LINK: KNAPSACK C00001171
CH$LINK: NIKKAJI J6.033J

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$CHROMATOGRAPHY: RETENTION_INDEX 1710.9
AC$CHROMATOGRAPHY: RETENTION_TIME 416.034 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C20H52O5Si5
MS$FOCUSED_ION: DERIVATIVE_MASS 512.26611
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-8941000000-a1eac40beaba679b545b
PK$NUM_PEAK: 118
PK$PEAK: m/z int. rel.int.
  60 4 4
  61 6 6
  66 4 4
  67 1 1
  69 2 2
  70 3 3
  71 3 3
  72 19 19
  73 999 999
  74 85 85
  75 51 51
  76 3 3
  77 4 4
  81 7 7
  83 4 4
  84 1 1
  85 3 3
  87 5 5
  88 4 4
  89 25 25
  90 2 2
  91 1 1
  97 1 1
  99 3 3
  101 23 23
  102 4 4
  103 281 281
  104 25 25
  105 12 12
  111 2 2
  113 5 5
  115 6 6
  116 9 9
  117 94 94
  118 10 10
  119 9 9
  120 1 1
  127 2 2
  129 127 127
  130 15 15
  131 29 29
  132 4 4
  133 59 59
  134 8 8
  135 5 5
  141 1 1
  142 2 2
  143 9 9
  144 1 1
  145 3 3
  146 1 1
  147 292 292
  148 42 42
  149 26 26
  150 3 3
  151 1 1
  153 1 1
  155 4 4
  157 19 19
  158 2 2
  159 2 2
  161 3 3
  163 4 4
  169 1 1
  170 2 2
  171 2 2
  173 1 1
  175 5 5
  176 1 1
  177 3 3
  189 49 49
  190 11 11
  191 22 22
  192 4 4
  193 2 2
  201 1 1
  203 12 12
  204 42 42
  205 99 99
  206 21 21
  207 12 12
  208 2 2
  215 1 1
  217 235 235
  218 57 57
  219 22 22
  220 4 4
  221 7 7
  222 1 1
  223 1 1
  229 5 5
  230 1 1
  231 1 1
  243 14 14
  244 3 3
  245 2 2
  277 10 10
  278 4 4
  279 2 2
  291 3 3
  292 1 1
  305 1 1
  306 2 2
  307 31 31
  308 9 9
  309 4 4
  317 5 5
  318 2 2
  319 54 54
  320 16 16
  321 7 7
  322 1 1
  332 9 9
  333 3 3
  334 1 1
  395 1 1
  422 3 3
  423 1 1
//