MassBank Record: OUF00230



 D-(-)-Fructose; GC-EI-TOF; MS; n TMS; RT:715.909 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00230
RECORD_TITLE: D-(-)-Fructose; GC-EI-TOF; MS; n TMS; RT:715.909 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$NAME: D-(-)-Fructose CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H12O6 CH$EXACT_MASS: 180.06339 CH$SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO CH$IUPAC: InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6-/m1/s1 CH$LINK: CAS 57-48-7 CH$LINK: CHEBI 48095 CH$LINK: CHEMSPIDER 5764 CH$LINK: KEGG C10906 D00114 CH$LINK: PUBCHEM 5984 CH$LINK: INCHIKEY BJHIKXHVCXFQLS-UYFOZJQFSA-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$CHROMATOGRAPHY: RETENTION_INDEX 1859.918 AC$CHROMATOGRAPHY: RETENTION_TIME 715.909 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0uxr-0930000000-8b1def66209ec997838e PK$NUM_PEAK: 188 PK$PEAK: m/z int. rel.int. 85 26 26 86 13 13 87 20 20 88 19 19 89 212 212 90 19 19 91 10 10 92 1 1 94 2 2 95 1 1 96 1 1 97 2 2 98 7 7 99 11 11 100 30 30 101 49 49 102 16 16 103 999 999 104 100 100 105 65 65 106 6 6 107 1 1 110 3 3 111 5 5 112 2 2 113 19 19 114 136 136 115 30 30 116 21 21 117 149 149 118 19 19 119 26 26 120 3 3 121 1 1 124 1 1 125 1 1 126 7 7 127 7 7 128 10 10 129 106 106 130 24 24 131 54 54 132 10 10 133 140 140 134 19 19 135 13 13 136 1 1 140 2 2 141 4 4 142 15 15 143 22 22 144 6 6 145 12 12 146 3 3 147 490 490 148 80 80 149 57 57 150 7 7 151 3 3 152 2 2 154 2 2 155 2 2 156 8 8 157 20 20 158 8 8 159 6 6 160 2 2 161 4 4 162 1 1 163 16 16 164 2 2 165 1 1 166 1 1 168 6 6 169 2 2 170 7 7 171 2 2 172 19 19 173 35 35 174 12 12 175 16 16 176 3 3 177 7 7 178 1 1 180 3 3 182 1 1 184 1 1 185 1 1 186 4 4 187 2 2 188 5 5 189 57 57 190 15 15 191 43 43 192 9 9 193 4 4 196 3 3 198 7 7 199 1 1 200 4 4 201 18 18 202 17 17 203 11 11 204 42 42 205 56 56 206 14 14 207 11 11 208 2 2 214 5 5 215 3 3 216 9 9 217 538 538 218 118 118 219 54 54 220 8 8 221 17 17 222 4 4 223 2 2 228 2 2 229 5 5 230 5 5 231 14 14 232 5 5 233 2 2 240 2 2 241 1 1 242 2 2 243 1 1 244 10 10 245 5 5 246 3 3 247 1 1 254 1 1 255 1 1 256 4 4 257 1 1 258 1 1 260 2 2 261 1 1 262 27 27 263 18 18 264 6 6 265 3 3 268 2 2 269 1 1 270 2 2 272 1 1 275 1 1 276 3 3 277 36 36 278 16 16 279 7 7 280 1 1 288 2 2 289 1 1 291 7 7 292 2 2 293 1 1 300 1 1 302 1 1 305 3 3 306 5 5 307 165 165 308 54 54 309 25 25 310 6 6 311 1 1 318 2 2 319 6 6 320 2 2 321 1 1 330 2 2 332 1 1 333 4 4 334 5 5 335 11 11 336 6 6 337 2 2 350 2 2 358 1 1 363 1 1 364 23 23 365 9 9 366 4 4 367 1 1 376 1 1 390 1 1 464 1 1 //