MassBank Record: KZ000026



 D-Xylulose; GC-EI-TOF; MS; 4 TMS; BP:147 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000026
RECORD_TITLE: D-Xylulose; GC-EI-TOF; MS; 4 TMS; BP:147
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_01486_P000094

CH$NAME: D-Xylulose CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H10O5 CH$EXACT_MASS: 150.05282 CH$SMILES: OCC(O)(O1)C(O)C(O)C1 CH$IUPAC: InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5?/m1/s1 CH$LINK: CAS 551-84-8 CH$LINK: KEGG C00310 CH$LINK: INCHIKEY LQXVFWRQNMEDEE-OVEKKEMJSA-N
AC$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$CHROMATOGRAPHY: RETENTION_INDEX 1663.4 AC$CHROMATOGRAPHY: RETENTION_TIME 773.663 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00kb-1920000000-041f0de1dd371cdf3a8e PK$NUM_PEAK: 173 PK$PEAK: m/z int. rel.int. 82 20 20 83 7 7 84 202 202 85 31 31 86 16 16 87 28 28 88 30 30 89 406 406 90 37 37 91 18 18 92 2 2 93 1 1 94 2 2 95 1 1 96 4 4 97 2 2 98 10 10 99 12 12 100 37 37 101 84 84 102 25 25 103 496 496 104 50 50 105 46 46 106 4 4 107 2 2 110 1 1 111 4 4 112 5 5 113 14 14 114 116 116 115 40 40 116 28 28 117 591 591 118 65 65 119 53 53 120 5 5 121 2 2 125 1 1 126 22 22 127 5 5 128 14 14 129 50 50 130 16 16 131 71 71 132 14 14 133 196 196 134 26 26 135 15 15 136 1 1 140 5 5 141 3 3 142 64 64 143 20 20 144 10 10 145 9 9 146 4 4 147 999 999 148 162 162 149 92 92 150 10 10 151 4 4 152 2 2 153 1 1 154 14 14 155 3 3 156 8 8 157 8 8 158 11 11 159 15 15 160 5 5 161 4 4 162 1 1 163 33 33 164 5 5 165 3 3 166 1 1 167 1 1 168 5 5 169 1 1 170 3 3 171 2 2 172 37 37 173 293 293 174 49 49 175 24 24 176 4 4 177 12 12 178 2 2 179 2 2 182 1 1 183 1 1 184 3 3 185 2 2 186 7 7 187 3 3 188 6 6 189 26 26 190 7 7 191 17 17 192 3 3 193 2 2 198 4 4 199 1 1 200 7 7 201 27 27 202 21 21 203 10 10 204 33 33 205 370 370 206 73 73 207 41 41 208 6 6 209 2 2 214 7 7 215 2 2 216 12 12 217 39 39 218 11 11 219 6 6 220 1 1 221 9 9 222 2 2 223 1 1 228 3 3 229 1 1 230 4 4 231 5 5 232 10 10 233 4 4 234 1 1 235 1 1 240 1 1 242 2 2 243 1 1 244 3 3 245 1 1 246 2 2 247 1 1 248 1 1 256 3 3 257 1 1 258 1 1 260 3 3 261 1 1 262 10 10 263 123 123 264 28 28 265 12 12 266 2 2 274 1 1 288 8 8 289 2 2 290 1 1 291 3 3 292 1 1 302 1 1 307 1 1 318 2 2 319 1 1 330 1 1 332 1 1 333 4 4 334 3 3 335 2 2 336 1 1 346 1 1 362 1 1 363 1 1 364 8 8 365 2 2 366 1 1 452 1 1 //

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