ACCESSION: MSBNK-RIKEN-PR010135
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$CHROMATOGRAPHY: RETENTION_INDEX 1755.1
AC$CHROMATOGRAPHY: RETENTION_TIME 425.835 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$SPLASH: splash10-00di-8930000000-85527d43cd5f10f959a8
PK$NUM_PEAK: 160
PK$PEAK: m/z int. rel.int.
  60 6 6
  61 10 10
  63 1 1
  65 1 1
  66 5 5
  67 2 2
  69 19 19
  70 5 5
  71 7 7
  72 21 21
  73 999 999
  74 77 77
  75 115 115
  76 10 10
  77 10 10
  81 50 50
  82 3 3
  83 2 2
  84 1 1
  85 6 6
  86 1 1
  87 8 8
  88 2 2
  89 22 22
  90 2 2
  91 1 1
  96 1 1
  97 5 5
  98 1 1
  99 10 10
  100 3 3
  101 33 33
  102 5 5
  103 133 133
  104 13 13
  105 8 8
  111 5 5
  112 1 1
  113 8 8
  114 2 2
  115 15 15
  116 8 8
  117 80 80
  118 8 8
  119 12 12
  120 1 1
  121 1 1
  125 1 1
  127 5 5
  128 1 1
  129 269 269
  130 32 32
  131 31 31
  132 5 5
  133 82 82
  134 11 11
  135 10 10
  136 1 1
  141 1 1
  142 5 5
  143 19 19
  144 3 3
  145 5 5
  146 1 1
  147 175 175
  148 28 28
  149 33 33
  150 4 4
  151 2 2
  153 1 1
  155 67 67
  156 21 21
  157 28 28
  158 5 5
  159 6 6
  160 1 1
  161 4 4
  162 1 1
  163 9 9
  164 1 1
  165 1 1
  169 1 1
  170 6 6
  171 26 26
  172 5 5
  173 8 8
  174 5 5
  175 32 32
  176 6 6
  177 12 12
  178 1 1
  179 1 1
  185 1 1
  187 1 1
  188 19 19
  189 98 98
  190 20 20
  191 27 27
  192 4 4
  193 6 6
  194 1 1
  197 2 2
  200 1 1
  201 6 6
  202 1 1
  203 9 9
  204 6 6
  205 19 19
  206 4 4
  207 23 23
  208 5 5
  209 3 3
  215 2 2
  216 3 3
  217 151 151
  218 35 35
  219 21 21
  220 3 3
  221 30 30
  222 8 8
  223 4 4
  229 1 1
  230 2 2
  231 9 9
  232 3 3
  233 4 4
  234 1 1
  235 1 1
  242 4 4
  243 16 16
  244 44 44
  245 24 24
  246 7 7
  247 2 2
  248 1 1
  249 3 3
  250 1 1
  259 1 1
  262 3 3
  263 11 11
  264 3 3
  265 1 1
  271 1 1
  272 3 3
  273 12 12
  274 2 2
  275 1 1
  286 1 1
  287 1 1
  305 2 2
  306 1 1
  331 1 1
  332 3 3
  333 2 2
  334 2 2
  361 1 1
  363 1 1
  450 1 1
  451 3 3
  452 1 1
//