MassBank Record: OUF00229



 D-(-)-Fructose; GC-EI-TOF; MS; n TMS; RT:712.159 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00229
RECORD_TITLE: D-(-)-Fructose; GC-EI-TOF; MS; n TMS; RT:712.159 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$CHROMATOGRAPHY: RETENTION_INDEX 1850.882 AC$CHROMATOGRAPHY: RETENTION_TIME 712.159 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-0uxr-0930000000-82a04b21f0be02924ff8 PK$NUM_PEAK: 180 PK$PEAK: m/z int. rel.int. 85 12 12 86 6 6 87 15 15 88 16 16 89 152 152 90 14 14 91 8 8 92 1 1 94 2 2 96 1 1 97 1 1 98 5 5 99 9 9 100 27 27 101 38 38 102 12 12 103 999 999 104 97 97 105 49 49 106 3 3 107 1 1 110 1 1 111 3 3 112 2 2 113 13 13 114 36 36 115 17 17 116 14 14 117 141 141 118 17 17 119 20 20 120 2 2 121 1 1 126 7 7 127 4 4 128 8 8 129 91 91 130 19 19 131 50 50 132 9 9 133 161 161 134 21 21 135 12 12 136 1 1 140 3 3 141 2 2 142 10 10 143 18 18 144 5 5 145 11 11 146 4 4 147 392 392 148 63 63 149 42 42 150 5 5 151 3 3 152 1 1 154 2 2 155 1 1 156 5 5 157 16 16 158 7 7 159 6 6 160 2 2 161 4 4 163 18 18 164 2 2 165 1 1 168 3 3 169 1 1 170 2 2 171 1 1 172 30 30 173 38 38 174 9 9 175 13 13 176 3 3 177 9 9 178 1 1 180 2 2 182 1 1 184 1 1 185 1 1 186 4 4 187 2 2 188 5 5 189 61 61 190 15 15 191 34 34 192 7 7 193 4 4 196 1 1 198 2 2 200 3 3 201 18 18 202 12 12 203 9 9 204 33 33 205 45 45 206 11 11 207 12 12 208 2 2 209 1 1 214 6 6 215 2 2 216 10 10 217 468 468 218 99 99 219 46 46 220 8 8 221 14 14 222 3 3 223 2 2 228 1 1 229 3 3 230 7 7 231 14 14 232 5 5 233 2 2 235 3 3 240 2 2 242 2 2 243 1 1 244 6 6 245 2 2 246 2 2 247 2 2 248 1 1 254 1 1 256 7 7 257 1 1 258 1 1 260 5 5 261 3 3 262 6 6 263 13 13 264 3 3 265 2 2 266 1 1 268 1 1 270 1 1 272 1 1 274 1 1 275 1 1 276 4 4 277 33 33 278 13 13 279 6 6 280 1 1 288 3 3 291 9 9 292 2 2 293 1 1 300 1 1 302 2 2 303 1 1 304 1 1 305 2 2 306 4 4 307 148 148 308 48 48 309 23 23 310 5 5 311 1 1 318 2 2 319 2 2 320 1 1 330 2 2 332 1 1 333 3 3 334 5 5 335 11 11 336 4 4 337 1 1 350 1 1 363 1 1 364 19 19 365 8 8 366 4 4 367 1 1 //