MassBank Record: OUF00344

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D-(-)-Mannitol; GC-EI-TOF; MS; n TMS; RT:735.894 sec
Mass Spectrum
Chemical Structure
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ACCESSION: OUF00344
RECORD_TITLE: D-(-)-Mannitol; GC-EI-TOF; MS; n TMS; RT:735.894 sec
DATE: 2016.01.19 (2010.05.20, 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$NAME: D-(-)-Mannitol CH$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-/m1/s1 CH$LINK: CAS 69-65-8 CH$LINK: CHEBI 16899 CH$LINK: CHEMSPIDER 6015 CH$LINK: KEGG D00062 CH$LINK: PUBCHEM 6251 CH$LINK: INCHIKEY FBPFZTCFMRRESA-KVTDHHQDSA-N CH$LINK: COMPTOX DTXSID1023235
AC$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 1908.494 AC$CHROMATOGRAPHY: RETENTION_TIME 735.894 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-066s-0942000000-20043a375d72ca08dce9 PK$NUM_PEAK: 197 PK$PEAK: m/z int. rel.int. 85 11 11 86 3 3 87 21 21 88 20 20 89 91 91 90 9 9 91 5 5 93 1 1 94 1 1 95 2 2 96 1 1 97 20 20 98 2 2 99 12 12 100 2 2 101 71 71 102 14 14 103 637 637 104 63 63 105 31 31 106 2 2 107 1 1 109 1 1 111 8 8 112 2 2 113 17 17 114 3 3 115 17 17 116 23 23 117 379 379 118 39 39 119 31 31 120 3 3 121 2 2 125 2 2 127 8 8 128 2 2 129 263 263 130 34 34 131 85 85 132 13 13 133 185 185 134 28 28 135 17 17 136 2 2 137 1 1 139 1 1 140 1 1 141 6 6 142 5 5 143 45 45 144 6 6 145 11 11 146 4 4 147 999 999 148 161 161 149 103 103 150 11 11 151 6 6 152 1 1 153 2 2 154 1 1 155 12 12 156 4 4 157 214 214 158 29 29 159 17 17 160 2 2 161 9 9 162 2 2 163 16 16 164 3 3 165 1 1 167 3 3 168 1 1 169 11 11 170 2 2 171 2 2 172 1 1 173 3 3 174 1 1 175 20 20 176 4 4 177 10 10 178 2 2 179 1 1 181 1 1 182 1 1 183 22 22 184 4 4 185 3 3 186 1 1 187 3 3 188 1 1 189 98 98 190 27 27 191 88 88 192 17 17 193 8 8 194 1 1 201 5 5 202 3 3 203 14 14 204 117 117 205 485 485 206 100 100 207 55 55 208 8 8 209 3 3 210 1 1 215 6 6 216 2 2 217 491 491 218 108 108 219 48 48 220 7 7 221 32 32 222 8 8 223 4 4 224 1 1 225 1 1 228 1 1 229 59 59 230 21 21 231 38 38 232 8 8 233 4 4 234 1 1 235 1 1 237 1 1 239 3 3 240 1 1 241 1 1 242 1 1 243 5 5 244 2 2 245 2 2 246 2 2 247 3 3 248 1 1 249 1 1 254 1 1 255 20 20 256 5 5 257 7 7 258 2 2 259 10 10 260 3 3 261 1 1 263 1 1 265 6 6 266 2 2 267 1 1 273 2 2 277 20 20 278 11 11 279 5 5 280 2 2 291 23 23 292 8 8 293 4 4 294 1 1 304 1 1 305 24 24 306 13 13 307 68 68 308 21 21 309 10 10 310 2 2 317 2 2 318 7 7 319 443 443 320 143 143 321 70 70 322 16 16 323 4 4 329 2 2 330 1 1 331 25 25 332 8 8 333 5 5 334 1 1 344 1 1 345 21 21 346 7 7 347 4 4 348 1 1 408 1 1 409 4 4 410 2 2 411 1 1 419 6 6 420 4 4 421 11 11 422 5 5 423 3 3 434 1 1 //