ACCESSION: MSBNK-Osaka_Univ-OUF00235
RECORD_TITLE: D-(+)-Galactose; GC-EI-TOF; MS; n TMS; RT:720.444 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$NAME: D-(+)-Galactose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₆H₁₂O₆
CH$EXACT_MASS: 180.06339
CH$SMILES: OC[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)C(O)1
CH$IUPAC: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6?/m1/s1
CH$LINK: CAS 26566-61-0
CH$LINK: CHEBI 17118
CH$LINK: CHEMSPIDER 2301265
CH$LINK: PUBCHEM 3037556
CH$LINK: INCHIKEY WQZGKKKJIJFFOK-SVZMEOIVSA-N
CH$LINK: COMPTOX DTXSID0023088

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$CHROMATOGRAPHY: RETENTION_INDEX 1870.846
AC$CHROMATOGRAPHY: RETENTION_TIME 720.444 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-066s-0931000000-9945093085ef7b0de618
PK$NUM_PEAK: 249
PK$PEAK: m/z int. rel.int.
  85 19 19
  86 24 24
  87 25 25
  88 24 24
  89 247 247
  90 25 25
  91 13 13
  92 2 2
  93 1 1
  94 3 3
  95 3 3
  96 4 4
  97 13 13
  98 8 8
  99 22 22
  100 52 52
  101 79 79
  102 41 41
  103 480 480
  104 50 50
  105 102 102
  106 13 13
  107 6 6
  108 2 2
  109 2 2
  110 4 4
  111 11 11
  112 8 8
  113 18 18
  114 42 42
  115 32 32
  116 30 30
  117 337 337
  118 37 37
  119 34 34
  120 4 4
  121 2 2
  122 1 1
  124 2 2
  125 2 2
  126 8 8
  127 17 17
  128 17 17
  129 368 368
  130 74 74
  131 105 105
  132 20 20
  133 234 234
  134 34 34
  135 21 21
  136 3 3
  137 1 1
  138 3 3
  139 2 2
  140 5 5
  141 9 9
  142 19 19
  143 56 56
  144 11 11
  145 25 25
  146 8 8
  147 999 999
  148 162 162
  149 106 106
  150 14 14
  151 7 7
  152 4 4
  153 3 3
  154 5 5
  155 6 6
  156 6 6
  157 250 250
  158 49 49
  159 22 22
  160 344 344
  161 69 69
  162 20 20
  163 32 32
  164 6 6
  165 3 3
  166 2 2
  167 1 1
  168 7 7
  169 12 12
  170 7 7
  171 5 5
  172 13 13
  173 17 17
  174 8 8
  175 18 18
  176 5 5
  177 13 13
  178 4 4
  179 2 2
  180 4 4
  181 2 2
  182 3 3
  183 2 2
  184 2 2
  185 3 3
  186 11 11
  187 5 5
  188 4 4
  189 94 94
  190 29 29
  191 55 55
  192 12 12
  193 7 7
  194 1 1
  195 1 1
  196 3 3
  197 1 1
  198 3 3
  199 2 2
  200 5 5
  201 25 25
  202 9 9
  203 16 16
  204 117 117
  205 533 533
  206 111 111
  207 59 59
  208 10 10
  209 4 4
  210 9 9
  211 2 2
  212 2 2
  213 2 2
  214 5 5
  215 11 11
  216 27 27
  217 383 383
  218 86 86
  219 39 39
  220 7 7
  221 21 21
  222 6 6
  223 4 4
  224 1 1
  225 1 1
  226 1 1
  227 1 1
  228 6 6
  229 69 69
  230 24 24
  231 33 33
  232 13 13
  233 14 14
  234 15 15
  235 4 4
  236 1 1
  237 1 1
  238 1 1
  239 1 1
  240 4 4
  241 2 2
  242 3 3
  243 8 8
  244 10 10
  245 7 7
  246 10 10
  247 10 10
  248 3 3
  249 1 1
  251 1 1
  252 1 1
  253 1 1
  254 2 2
  255 1 1
  256 5 5
  257 2 2
  258 2 2
  259 6 6
  260 3 3
  261 2 2
  262 12 12
  263 4 4
  264 2 2
  265 3 3
  266 1 1
  268 4 4
  269 6 6
  270 4 4
  271 2 2
  272 1 1
  274 10 10
  275 3 3
  276 2 2
  277 15 15
  278 7 7
  279 3 3
  280 1 1
  286 1 1
  288 1 1
  290 1 1
  291 22 22
  292 8 8
  293 4 4
  294 1 1
  300 8 8
  301 2 2
  302 3 3
  303 1 1
  304 3 3
  305 25 25
  306 12 12
  307 21 21
  308 6 6
  309 3 3
  316 1 1
  317 1 1
  318 12 12
  319 375 375
  320 127 127
  321 60 60
  322 15 15
  323 4 4
  324 1 1
  330 2 2
  331 2 2
  332 2 2
  333 3 3
  334 1 1
  335 1 1
  336 1 1
  342 1 1
  343 4 4
  344 4 4
  345 2 2
  346 2 2
  358 1 1
  359 1 1
  360 1 1
  363 1 1
  364 4 4
  365 2 2
  374 4 4
  375 1 1
  376 3 3
  377 1 1
  378 1 1
  408 1 1
  409 1 1
  432 1 1
  448 1 1
  464 1 1
  465 1 1
  466 2 2
  467 1 1
//