ACCESSION: MSBNK-Kazusa-KZ000262
RECORD_TITLE: Ribitol; GC-EI-TOF; MS; 5 TMS; BP:147
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01656_P000113

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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1633.1
AC$CHROMATOGRAPHY: RETENTION_TIME 759.163 sec

MS$FOCUSED_ION: BASE_PEAK 147
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0fr2-0930000000-5a1a8471040df361537c
PK$NUM_PEAK: 158
PK$PEAK: m/z int. rel.int.
  82 2 2
  83 15 15
  84 5 5
  85 16 16
  86 5 5
  87 28 28
  88 21 21
  89 103 103
  90 9 9
  91 4 4
  94 2 2
  95 1 1
  96 1 1
  97 4 4
  98 2 2
  99 16 16
  100 2 2
  101 110 110
  102 19 19
  103 943 943
  104 96 96
  105 47 47
  106 3 3
  107 1 1
  109 1 1
  111 11 11
  112 2 2
  113 22 22
  114 3 3
  115 28 28
  116 38 38
  117 359 359
  118 39 39
  119 35 35
  120 3 3
  121 2 2
  125 2 2
  126 1 1
  127 8 8
  128 2 2
  129 411 411
  130 52 52
  131 109 109
  132 16 16
  133 214 214
  134 29 29
  135 18 18
  136 1 1
  141 3 3
  142 6 6
  143 29 29
  144 4 4
  145 12 12
  146 3 3
  147 999 999
  148 173 173
  149 108 108
  150 12 12
  151 6 6
  152 2 2
  153 4 4
  154 1 1
  155 17 17
  156 3 3
  157 76 76
  158 10 10
  159 10 10
  160 2 2
  161 10 10
  162 2 2
  163 15 15
  164 2 2
  165 1 1
  169 3 3
  170 7 7
  171 7 7
  172 1 1
  173 3 3
  174 1 1
  175 21 21
  176 4 4
  177 12 12
  178 2 2
  179 1 1
  185 1 1
  187 2 2
  188 1 1
  189 175 175
  190 38 38
  191 67 67
  192 11 11
  193 6 6
  194 1 1
  201 3 3
  202 1 1
  203 35 35
  204 118 118
  205 270 270
  206 57 57
  207 33 33
  208 5 5
  209 2 2
  215 2 2
  216 1 1
  217 547 547
  218 155 155
  219 66 66
  220 11 11
  221 28 28
  222 6 6
  223 4 4
  224 1 1
  229 22 22
  230 7 7
  231 7 7
  232 1 1
  233 1 1
  237 1 1
  242 3 3
  243 50 50
  244 12 12
  245 7 7
  246 2 2
  247 2 2
  249 1 1
  263 1 1
  265 1 1
  277 36 36
  278 14 14
  279 7 7
  280 2 2
  291 11 11
  292 4 4
  293 2 2
  305 4 4
  306 6 6
  307 79 79
  308 24 24
  309 12 12
  310 2 2
  317 16 16
  318 5 5
  319 156 156
  320 48 48
  321 24 24
  322 5 5
  323 1 1
  331 1 1
  332 33 33
  333 11 11
  334 5 5
  335 1 1
  395 2 2
  396 1 1
  407 1 1
  422 6 6
  423 3 3
  424 1 1
//