MassBank Record: PR010041



 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: PR010041
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 1855.5 AC$CHROMATOGRAPHY: RETENTION_TIME 453.919 sec
MS$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$SPLASH: splash10-0fk9-9820000000-43a516d59c827a67e7e8 PK$NUM_PEAK: 138 PK$PEAK: m/z int. rel.int. 60 4 4 61 6 6 66 4 4 67 1 1 69 1 1 70 4 4 71 4 4 72 18 18 73 999 999 74 86 86 75 51 51 76 3 3 77 8 8 82 4 4 83 1 1 84 19 19 85 4 4 86 1 1 87 5 5 88 5 5 89 62 62 90 5 5 91 2 2 98 1 1 99 3 3 100 11 11 101 14 14 102 5 5 103 501 501 104 48 48 105 22 22 106 1 1 111 1 1 113 4 4 114 12 12 115 7 7 116 5 5 117 53 53 118 7 7 119 7 7 126 2 2 127 1 1 128 3 3 129 36 36 130 7 7 131 20 20 132 3 3 133 68 68 134 8 8 135 4 4 140 1 1 141 1 1 142 4 4 143 7 7 144 2 2 145 5 5 146 1 1 147 173 173 148 26 26 149 16 16 150 2 2 151 1 1 156 1 1 157 6 6 158 2 2 159 2 2 161 1 1 163 7 7 164 1 1 168 1 1 172 14 14 173 17 17 174 3 3 175 5 5 176 1 1 177 4 4 186 1 1 187 1 1 188 2 2 189 26 26 190 6 6 191 15 15 192 2 2 193 1 1 200 1 1 201 8 8 202 5 5 203 4 4 204 12 12 205 19 19 206 4 4 207 5 5 214 2 2 216 4 4 217 233 233 218 47 47 219 21 21 220 3 3 221 5 5 222 1 1 229 1 1 230 2 2 231 5 5 232 1 1 233 1 1 235 1 1 244 2 2 246 1 1 247 1 1 256 3 3 260 1 1 261 1 1 262 2 2 263 6 6 264 1 1 276 1 1 277 16 16 278 6 6 279 2 2 288 1 1 291 3 3 292 1 1 302 1 1 305 1 1 306 1 1 307 79 79 308 23 23 309 11 11 310 2 2 318 1 1 330 1 1 333 1 1 334 2 2 335 5 5 336 1 1 364 10 10 365 3 3 366 1 1 //