MassBank Record: OUF00235



 D-(+)-Galactose; GC-EI-TOF; MS; n TMS; RT:720.444 sec 
Mass Spectrum
Chemical Structure
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ACCESSION: OUF00235
RECORD_TITLE: D-(+)-Galactose; GC-EI-TOF; MS; n TMS; RT:720.444 sec
DATE: 2016.01.19 (2010.05.20, 2013.04.24)
AUTHORS: Tsujimoto Yengineering department, Osaka Univ., Tsugawa Hengineering department, Osaka Univ., Bamba Tengineering department, Osaka Univ., Fukusaki Eengineering department, Osaka Univ., 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$LINK: INCHIKEY WQZGKKKJIJFFOK-SVZMEOIVSA-N
AC$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 //