MassBank Record: KZ000186



 D-(-)-Fructose; GC-EI-TOF; MS; 5 TMS; BP:103 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000186
RECORD_TITLE: D-(-)-Fructose; GC-EI-TOF; MS; 5 TMS; BP:103
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01462_P000135

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: KEGG C10906 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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1822.9 AC$CHROMATOGRAPHY: RETENTION_TIME 846.962 sec
MS$FOCUSED_ION: BASE_PEAK 103 MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0uxs-1920000000-a09af821de27576754b2 PK$NUM_PEAK: 202 PK$PEAK: m/z int. rel.int. 82 11 11 83 5 5 84 166 166 85 25 25 86 12 12 87 19 19 88 14 14 89 216 216 90 20 20 91 9 9 92 1 1 94 2 2 95 1 1 96 1 1 97 1 1 98 5 5 99 10 10 100 26 26 101 52 52 102 15 15 103 999 999 104 106 106 105 67 67 106 5 5 107 2 2 108 1 1 110 2 2 111 5 5 112 2 2 113 19 19 114 151 151 115 33 33 116 23 23 117 150 150 118 19 19 119 28 28 120 3 3 121 1 1 124 1 1 125 1 1 126 7 7 127 6 6 128 10 10 129 110 110 130 23 23 131 59 59 132 10 10 133 147 147 134 20 20 135 12 12 136 1 1 138 1 1 140 2 2 141 4 4 142 14 14 143 20 20 144 5 5 145 11 11 146 3 3 147 517 517 148 88 88 149 57 57 150 7 7 151 3 3 152 2 2 153 1 1 154 2 2 155 2 2 156 7 7 157 18 18 158 7 7 159 6 6 160 2 2 161 3 3 162 1 1 163 16 16 164 3 3 165 2 2 166 1 1 168 4 4 169 2 2 170 6 6 171 2 2 172 21 21 173 30 30 174 10 10 175 14 14 176 3 3 177 6 6 178 1 1 179 1 1 180 3 3 181 1 1 182 2 2 184 1 1 185 1 1 186 3 3 187 2 2 188 4 4 189 57 57 190 14 14 191 36 36 192 7 7 193 3 3 196 2 2 198 5 5 199 1 1 200 3 3 201 14 14 202 13 13 203 9 9 204 44 44 205 56 56 206 13 13 207 10 10 208 2 2 214 4 4 215 2 2 216 8 8 217 460 460 218 105 105 219 47 47 220 7 7 221 14 14 222 3 3 223 1 1 228 2 2 229 3 3 230 5 5 231 11 11 232 4 4 233 1 1 240 2 2 242 2 2 243 1 1 244 9 9 245 5 5 246 3 3 247 2 2 248 1 1 254 1 1 255 1 1 256 4 4 257 1 1 258 1 1 260 2 2 261 1 1 262 31 31 263 15 15 264 5 5 265 2 2 268 2 2 269 1 1 270 2 2 271 1 1 272 1 1 275 1 1 276 2 2 277 36 36 278 14 14 279 6 6 280 1 1 288 2 2 291 6 6 292 2 2 293 1 1 300 2 2 302 2 2 303 1 1 304 1 1 305 4 4 306 4 4 307 159 159 308 49 49 309 24 24 310 5 5 311 1 1 318 2 2 319 5 5 320 2 2 330 2 2 331 1 1 332 1 1 333 5 5 334 4 4 335 7 7 336 4 4 337 1 1 344 1 1 350 2 2 358 1 1 363 1 1 364 19 19 365 6 6 366 3 3 376 2 2 390 1 1 432 1 1 433 1 1 464 1 1 465 1 1 466 1 1 //

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