MassBank Record: PR010042



 D-(-)-Fructose; GC-EI-TOF; MS; 5 TMS; 1 MEOX; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010042
RECORD_TITLE: D-(-)-Fructose; GC-EI-TOF; MS; 5 TMS; 1 MEOX; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: D-(-)-Fructose CH$NAME: Levulose CH$NAME: Fruit sugar CH$NAME: D-arabino-Hexulose CH$NAME: D-Fructose CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H12O6 CH$EXACT_MASS: 180.06339 CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)C(O)(CO)1 CH$IUPAC: InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6?/m1/s1 CH$LINK: CAS 57-48-7 CH$LINK: CHEBI 15824 CH$LINK: KEGG C00095 CH$LINK: NIKKAJI J4.580B CH$LINK: PUBCHEM 3395
AC$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: RETENTION_INDEX 1864.3 AC$CHROMATOGRAPHY: RETENTION_TIME 455.767 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C22H55NO6Si5 MS$FOCUSED_ION: DERIVATIVE_MASS 569.28757 MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS; 1 MEOX MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9720000000-7c9067f4d2545291e98b PK$NUM_PEAK: 139 PK$PEAK: m/z int. rel.int. 60 6 6 61 7 7 66 4 4 67 2 2 69 1 1 70 6 6 71 3 3 72 16 16 73 999 999 74 85 85 75 58 58 76 4 4 77 7 7 82 7 7 83 2 2 84 51 51 85 7 7 86 3 3 87 6 6 88 4 4 89 78 78 90 7 7 91 3 3 98 1 1 99 3 3 100 9 9 101 15 15 102 5 5 103 441 441 104 43 43 105 26 26 106 2 2 110 1 1 111 1 1 113 6 6 114 40 40 115 10 10 116 6 6 117 49 49 118 6 6 119 8 8 120 1 1 126 2 2 127 2 2 128 3 3 129 34 34 130 7 7 131 18 18 132 3 3 133 49 49 134 6 6 135 4 4 140 1 1 141 1 1 142 5 5 143 7 7 144 2 2 145 4 4 146 1 1 147 180 180 148 28 28 149 19 19 150 2 2 151 1 1 156 2 2 157 6 6 158 2 2 159 1 1 161 1 1 163 5 5 164 1 1 168 1 1 170 2 2 172 7 7 173 15 15 174 4 4 175 5 5 176 1 1 177 2 2 180 1 1 186 1 1 188 1 1 189 20 20 190 5 5 191 15 15 192 2 2 193 1 1 196 1 1 198 2 2 200 1 1 201 7 7 202 6 6 203 4 4 204 14 14 205 21 21 206 4 4 207 4 4 214 1 1 216 3 3 217 238 238 218 49 49 219 21 21 220 3 3 221 5 5 222 1 1 229 1 1 230 1 1 231 5 5 232 1 1 244 3 3 245 2 2 246 1 1 256 1 1 262 10 10 263 7 7 264 2 2 265 1 1 268 1 1 276 1 1 277 15 15 278 6 6 279 2 2 291 2 2 305 1 1 306 1 1 307 78 78 308 23 23 309 11 11 310 2 2 319 2 2 333 1 1 334 2 2 335 4 4 336 2 2 350 1 1 364 10 10 365 3 3 366 1 1 554 1 1 //