ACCESSION: MSBNK-Osaka_Univ-OUF00234
RECORD_TITLE: Galactitol; GC-EI-TOF; MS; n TMS; RT:740.694 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: Galactitol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₄O₆
CH$EXACT_MASS: 182.07904
CH$SMILES: OCC([H])(O)C([H])(O)C([H])(O)C([H])(O)CO
CH$IUPAC: InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-
CH$LINK: CAS 608-66-2
CH$LINK: CHEBI 16813
CH$LINK: CHEMSPIDER 11357
CH$LINK: PUBCHEM CID:11850
CH$LINK: INCHIKEY FBPFZTCFMRRESA-GUCUJZIJSA-N
CH$LINK: COMPTOX DTXSID1046051

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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1920.662
AC$CHROMATOGRAPHY: RETENTION_TIME 740.694 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-014j-0941000000-61141f9f2ddc66e0b016
PK$NUM_PEAK: 201
PK$PEAK: m/z int. rel.int.
  85 12 12
  86 4 4
  87 23 23
  88 20 20
  89 86 86
  90 9 9
  91 5 5
  92 1 1
  93 1 1
  94 1 1
  95 2 2
  96 1 1
  97 35 35
  98 4 4
  99 14 14
  100 2 2
  101 71 71
  102 14 14
  103 827 827
  104 80 80
  105 39 39
  106 3 3
  107 1 1
  109 2 2
  111 9 9
  112 2 2
  113 19 19
  114 3 3
  115 19 19
  116 23 23
  117 350 350
  118 37 37
  119 30 30
  120 3 3
  121 1 1
  125 3 3
  127 9 9
  128 2 2
  129 230 230
  130 30 30
  131 86 86
  132 14 14
  133 193 193
  134 29 29
  135 18 18
  136 2 2
  137 1 1
  139 1 1
  140 1 1
  141 7 7
  142 5 5
  143 48 48
  144 7 7
  145 16 16
  146 4 4
  147 999 999
  148 160 160
  149 105 105
  150 12 12
  151 7 7
  152 1 1
  153 3 3
  154 1 1
  155 13 13
  156 4 4
  157 108 108
  158 15 15
  159 13 13
  160 2 2
  161 11 11
  162 2 2
  163 15 15
  164 3 3
  165 2 2
  167 4 4
  168 1 1
  169 22 22
  170 5 5
  171 3 3
  172 1 1
  173 4 4
  174 1 1
  175 24 24
  176 5 5
  177 12 12
  178 2 2
  179 2 2
  181 1 1
  182 1 1
  183 23 23
  184 4 4
  185 3 3
  186 1 1
  187 3 3
  188 1 1
  189 97 97
  190 29 29
  191 128 128
  192 24 24
  193 12 12
  194 2 2
  201 4 4
  202 3 3
  203 13 13
  204 132 132
  205 343 343
  206 73 73
  207 43 43
  208 7 7
  209 3 3
  215 6 6
  216 4 4
  217 912 912
  218 199 199
  219 89 89
  220 14 14
  221 34 34
  222 8 8
  223 5 5
  224 1 1
  229 31 31
  230 14 14
  231 54 54
  232 12 12
  233 6 6
  234 1 1
  235 1 1
  237 1 1
  239 3 3
  240 1 1
  241 1 1
  242 1 1
  243 7 7
  244 2 2
  245 2 2
  246 1 1
  247 4 4
  248 1 1
  249 1 1
  253 1 1
  254 1 1
  255 23 23
  256 6 6
  257 8 8
  258 2 2
  259 22 22
  260 5 5
  261 3 3
  262 1 1
  263 1 1
  264 1 1
  265 7 7
  266 2 2
  267 1 1
  273 1 1
  277 31 31
  278 16 16
  279 8 8
  280 2 2
  281 1 1
  291 20 20
  292 7 7
  293 4 4
  294 1 1
  305 24 24
  306 22 22
  307 170 170
  308 53 53
  309 26 26
  310 6 6
  311 1 1
  317 2 2
  318 6 6
  319 224 224
  320 73 73
  321 36 36
  322 8 8
  323 2 2
  329 3 3
  330 3 3
  331 49 49
  332 16 16
  333 9 9
  334 2 2
  335 1 1
  344 2 2
  345 18 18
  346 7 7
  347 4 4
  348 1 1
  349 1 1
  409 3 3
  410 1 1
  418 1 1
  419 9 9
  420 6 6
  421 15 15
  422 8 8
  423 3 3
  424 1 1
  434 1 1
//