ACCESSION: MSBNK-Kazusa-KZ000218
RECORD_TITLE: L-(-)-Arabitol; GC-EI-TOF; MS; 5 TMS; BP:103
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_01547_P000031

CH$NAME: L-(-)-Arabitol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₁₂O₅
CH$EXACT_MASS: 152.06847
CH$SMILES: C([C@@H](C([C@H](CO)O)O)O)O
CH$IUPAC: InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1
CH$LINK: CAS 7643-75-6
CH$LINK: KEGG C00532
CH$LINK: INCHIKEY HEBKCHPVOIAQTA-IMJSIDKUSA-N
CH$LINK: COMPTOX DTXSID30884411
CH$LINK: PUBCHEM CID:439255

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 1638.0
AC$CHROMATOGRAPHY: RETENTION_TIME 762.013 sec

MS$FOCUSED_ION: BASE_PEAK 103
MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-0uxs-0930000000-6ef7d2f1643b576f6fbf
PK$NUM_PEAK: 155
PK$PEAK: m/z int. rel.int.
  82 2 2
  83 12 12
  84 5 5
  85 15 15
  86 5 5
  87 29 29
  88 22 22
  89 100 100
  90 10 10
  91 5 5
  92 1 1
  93 1 1
  94 3 3
  95 2 2
  96 1 1
  97 4 4
  98 2 2
  99 17 17
  100 3 3
  101 110 110
  102 19 19
  103 999 999
  104 100 100
  105 48 48
  106 3 3
  107 1 1
  109 1 1
  111 13 13
  112 2 2
  113 20 20
  114 3 3
  115 26 26
  116 40 40
  117 322 322
  118 35 35
  119 31 31
  120 3 3
  121 1 1
  125 2 2
  126 1 1
  127 7 7
  128 2 2
  129 384 384
  130 48 48
  131 103 103
  132 16 16
  133 195 195
  134 27 27
  135 17 17
  136 2 2
  137 1 1
  141 3 3
  142 4 4
  143 27 27
  144 4 4
  145 11 11
  146 3 3
  147 863 863
  148 143 143
  149 88 88
  150 10 10
  151 4 4
  152 1 1
  153 4 4
  154 1 1
  155 12 12
  156 2 2
  157 44 44
  158 6 6
  159 7 7
  160 1 1
  161 7 7
  162 1 1
  163 11 11
  164 2 2
  165 1 1
  169 2 2
  170 4 4
  171 6 6
  172 1 1
  173 3 3
  174 1 1
  175 20 20
  176 4 4
  177 12 12
  178 2 2
  179 1 1
  185 1 1
  187 2 2
  188 1 1
  189 105 105
  190 26 26
  191 67 67
  192 12 12
  193 6 6
  194 1 1
  201 2 2
  202 1 1
  203 35 35
  204 105 105
  205 237 237
  206 50 50
  207 30 30
  208 5 5
  209 2 2
  215 2 2
  216 3 3
  217 532 532
  218 132 132
  219 57 57
  220 10 10
  221 22 22
  222 5 5
  223 3 3
  224 1 1
  229 11 11
  230 3 3
  231 4 4
  232 1 1
  242 2 2
  243 41 41
  244 10 10
  245 6 6
  246 1 1
  247 1 1
  249 1 1
  263 1 1
  265 1 1
  277 30 30
  278 13 13
  279 6 6
  280 1 1
  291 10 10
  292 4 4
  293 2 2
  305 4 4
  306 10 10
  307 99 99
  308 33 33
  309 15 15
  310 3 3
  317 14 14
  318 8 8
  319 92 92
  320 29 29
  321 13 13
  322 3 3
  331 1 1
  332 12 12
  333 4 4
  334 2 2
  395 3 3
  396 1 1
  422 2 2
  423 1 1
//