MassBank Record: KZ000131



 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: KZ000131
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_05447_P000035

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$CHROMATOGRAPHY: RETENTION_INDEX 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 770.612 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: splash10-0002-0920000000-d7f4bb2d430b4275fd98 PK$NUM_PEAK: 179 PK$PEAK: m/z int. rel.int. 82 13 13 83 3 3 84 68 68 85 13 13 86 6 6 87 14 14 88 18 18 89 223 223 90 20 20 91 9 9 94 1 1 95 1 1 96 3 3 97 1 1 98 7 7 99 8 8 100 29 29 101 61 61 102 19 19 103 400 400 104 42 42 105 38 38 106 3 3 107 1 1 110 1 1 111 3 3 112 4 4 113 12 12 114 45 45 115 29 29 116 20 20 117 537 537 118 59 59 119 47 47 120 4 4 121 2 2 125 1 1 126 22 22 127 5 5 128 12 12 129 43 43 130 15 15 131 64 64 132 12 12 133 183 183 134 24 24 135 13 13 136 1 1 140 4 4 141 3 3 142 64 64 143 21 21 144 9 9 145 9 9 146 4 4 147 999 999 148 169 169 149 98 98 150 11 11 151 4 4 152 2 2 154 15 15 155 3 3 156 9 9 157 8 8 158 12 12 159 17 17 160 5 5 161 4 4 162 1 1 163 37 37 164 6 6 165 4 4 166 1 1 167 1 1 168 6 6 169 2 2 170 4 4 171 2 2 172 46 46 173 362 362 174 60 60 175 28 28 176 4 4 177 15 15 178 3 3 179 2 2 180 1 1 181 1 1 182 1 1 183 1 1 184 4 4 185 2 2 186 7 7 187 4 4 188 7 7 189 26 26 190 8 8 191 18 18 192 3 3 193 2 2 198 5 5 199 1 1 200 8 8 201 33 33 202 29 29 203 13 13 204 38 38 205 478 478 206 98 98 207 54 54 208 8 8 209 2 2 214 9 9 215 3 3 216 15 15 217 54 54 218 15 15 219 8 8 220 2 2 221 12 12 222 3 3 223 1 1 228 4 4 229 2 2 230 6 6 231 8 8 232 15 15 233 5 5 234 2 2 235 1 1 240 2 2 242 3 3 243 1 1 244 4 4 245 1 1 246 4 4 247 1 1 248 1 1 256 4 4 257 1 1 258 1 1 260 4 4 261 1 1 262 13 13 263 193 193 264 43 43 265 19 19 266 3 3 272 1 1 274 2 2 277 1 1 288 13 13 289 3 3 290 2 2 291 5 5 292 1 1 293 1 1 302 2 2 304 1 1 307 2 2 318 3 3 319 1 1 330 1 1 331 1 1 332 2 2 333 7 7 334 5 5 335 3 3 336 2 2 346 1 1 362 2 2 363 1 1 364 15 15 365 5 5 366 2 2 452 2 2 453 1 1 467 1 1 //