MassBank Record: KZ000185



 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: KZ000185
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_P000134

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$CHROMATOGRAPHY: RETENTION_INDEX 1809.1 AC$CHROMATOGRAPHY: RETENTION_TIME 841.062 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: splash10-0udi-1920000000-edcbda13fc8e7419c818 PK$NUM_PEAK: 178 PK$PEAK: m/z int. rel.int. 82 6 6 83 3 3 84 73 73 85 13 13 86 6 6 87 15 15 88 14 14 89 160 160 90 15 15 91 7 7 92 1 1 94 1 1 96 1 1 97 1 1 98 4 4 99 8 8 100 23 23 101 41 41 102 12 12 103 999 999 104 105 105 105 49 49 106 3 3 107 1 1 110 1 1 111 3 3 112 2 2 113 12 12 114 57 57 115 20 20 116 16 16 117 139 139 118 17 17 119 21 21 120 2 2 121 1 1 125 1 1 126 7 7 127 4 4 128 8 8 129 93 93 130 19 19 131 54 54 132 9 9 133 159 159 134 21 21 135 11 11 136 1 1 140 2 2 141 2 2 142 9 9 143 16 16 144 4 4 145 10 10 146 3 3 147 415 415 148 70 70 149 43 43 150 5 5 151 2 2 152 1 1 154 2 2 155 1 1 156 4 4 157 15 15 158 6 6 159 5 5 160 2 2 161 3 3 162 1 1 163 17 17 164 3 3 165 1 1 166 1 1 168 2 2 169 1 1 170 1 1 171 1 1 172 32 32 173 31 31 174 8 8 175 12 12 176 2 2 177 7 7 178 1 1 179 1 1 180 2 2 182 1 1 184 1 1 185 1 1 186 3 3 187 2 2 188 5 5 189 59 59 190 13 13 191 30 30 192 5 5 193 3 3 198 1 1 200 3 3 201 14 14 202 10 10 203 7 7 204 31 31 205 46 46 206 10 10 207 10 10 208 2 2 214 4 4 215 2 2 216 8 8 217 395 395 218 89 89 219 40 40 220 6 6 221 11 11 222 2 2 223 1 1 228 1 1 229 2 2 230 5 5 231 10 10 232 3 3 233 2 2 235 3 3 240 1 1 242 2 2 243 1 1 244 5 5 245 2 2 246 2 2 247 2 2 248 1 1 254 1 1 256 5 5 257 1 1 258 1 1 260 6 6 261 2 2 262 7 7 263 9 9 264 2 2 265 1 1 270 1 1 274 1 1 275 1 1 276 3 3 277 32 32 278 12 12 279 5 5 280 1 1 288 2 2 291 7 7 292 2 2 293 1 1 302 2 2 303 1 1 304 1 1 305 2 2 306 3 3 307 141 141 308 43 43 309 22 22 310 4 4 311 1 1 318 2 2 319 2 2 330 2 2 332 1 1 333 3 3 334 4 4 335 7 7 336 2 2 337 1 1 350 1 1 364 17 17 365 5 5 366 2 2 //

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