ACCESSION: MSBNK-Osaka_Univ-OUF00236
RECORD_TITLE: D-(+)-Galactose; GC-EI-TOF; MS; n TMS; RT:730.094 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$CHROMATOGRAPHY: RETENTION_INDEX 1894.099
AC$CHROMATOGRAPHY: RETENTION_TIME 730.094 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0ldj-0931000000-1ed532d5d2897be775df
PK$NUM_PEAK: 188
PK$PEAK: m/z int. rel.int.
  85 20 20
  86 15 15
  87 24 24
  88 25 25
  89 316 316
  90 33 33
  91 17 17
  92 1 1
  96 19 19
  97 21 21
  98 4 4
  99 19 19
  100 67 67
  101 77 77
  102 40 40
  103 741 741
  104 74 74
  105 76 76
  106 12 12
  107 2 2
  108 1 1
  110 1 1
  111 10 10
  112 5 5
  113 19 19
  114 22 22
  115 25 25
  116 31 31
  117 335 335
  118 39 39
  119 42 42
  120 3 3
  121 1 1
  126 6 6
  127 14 14
  128 9 9
  129 373 373
  130 67 67
  131 103 103
  132 20 20
  133 252 252
  134 37 37
  135 24 24
  136 2 2
  138 1 1
  139 1 1
  140 1 1
  141 7 7
  142 11 11
  143 52 52
  144 9 9
  145 15 15
  146 5 5
  147 999 999
  148 164 164
  149 109 109
  150 13 13
  151 7 7
  152 2 2
  153 2 2
  154 5 5
  155 2 2
  156 3 3
  157 256 256
  158 42 42
  159 28 28
  160 263 263
  161 69 69
  162 18 18
  163 33 33
  164 6 6
  165 4 4
  168 5 5
  169 19 19
  170 3 3
  171 4 4
  172 12 12
  173 15 15
  174 5 5
  175 19 19
  176 3 3
  177 23 23
  178 6 6
  179 3 3
  180 3 3
  181 2 2
  182 6 6
  183 1 1
  185 1 1
  186 9 9
  187 6 6
  188 6 6
  189 85 85
  190 28 28
  191 45 45
  192 8 8
  193 4 4
  194 1 1
  196 3 3
  198 1 1
  200 3 3
  201 29 29
  202 9 9
  203 17 17
  204 95 95
  205 548 548
  206 110 110
  207 60 60
  208 12 12
  209 1 1
  210 2 2
  214 21 21
  215 7 7
  216 10 10
  217 341 341
  218 79 79
  219 39 39
  220 7 7
  221 21 21
  222 5 5
  227 1 1
  228 2 2
  229 70 70
  230 26 26
  231 21 21
  232 9 9
  233 30 30
  234 10 10
  235 18 18
  236 3 3
  237 3 3
  240 2 2
  241 1 1
  242 5 5
  243 6 6
  244 7 7
  245 6 6
  246 5 5
  247 12 12
  248 2 2
  249 1 1
  251 1 1
  254 2 2
  258 1 1
  259 4 4
  262 3 3
  264 1 1
  265 2 2
  267 1 1
  268 10 10
  269 2 2
  270 2 2
  273 3 3
  274 5 5
  275 2 2
  277 17 17
  278 6 6
  279 1 1
  280 1 1
  288 1 1
  291 24 24
  292 7 7
  293 3 3
  300 3 3
  303 1 1
  304 2 2
  305 16 16
  306 8 8
  307 23 23
  308 5 5
  309 1 1
  318 9 9
  319 367 367
  320 129 129
  321 64 64
  322 12 12
  323 2 2
  325 1 1
  332 1 1
  337 1 1
  344 1 1
  347 1 1
  376 3 3
  380 1 1
  410 1 1
  414 1 1
  480 1 1
  482 1 1
//