MassBank Record: KZ000130



 D-Xylulose; GC-EI-TOF; MS; 4 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000130
RECORD_TITLE: D-Xylulose; GC-EI-TOF; MS; 4 TMS; BP:73
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_04494_P000200

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 1347.32 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9510000000-2c1e29200024f41e1ce7 PK$NUM_PEAK: 146 PK$PEAK: m/z int. rel.int. 39 2 2 40 1 1 41 22 22 42 9 9 43 34 34 44 19 19 45 127 127 46 5 5 47 11 11 51 1 1 52 3 3 53 3 3 54 5 5 55 10 10 56 4 4 57 5 5 58 15 15 59 67 67 60 6 6 61 7 7 66 6 6 67 2 2 68 2 2 69 1 1 70 7 7 71 5 5 72 21 21 73 999 999 74 95 95 75 65 65 76 3 3 77 2 2 82 6 6 83 1 1 84 31 31 85 6 6 86 2 2 87 5 5 88 4 4 89 73 73 90 7 7 91 3 3 96 1 1 98 2 2 99 2 2 100 9 9 101 20 20 102 6 6 103 116 116 104 14 14 105 12 12 106 1 1 112 1 1 113 3 3 114 19 19 115 9 9 116 6 6 117 152 152 118 14 14 119 13 13 120 1 1 126 7 7 127 1 1 128 3 3 129 11 11 130 4 4 131 16 16 132 3 3 133 48 48 134 6 6 135 4 4 140 1 1 141 1 1 142 23 23 143 7 7 144 3 3 145 3 3 146 1 1 147 308 308 148 49 49 149 28 28 150 2 2 151 1 1 154 5 5 155 1 1 156 2 2 157 2 2 158 3 3 159 5 5 160 1 1 161 1 1 163 10 10 164 1 1 165 1 1 168 1 1 170 1 1 172 11 11 173 98 98 174 17 17 175 8 8 176 1 1 177 3 3 178 1 1 184 1 1 186 2 2 187 1 1 188 1 1 189 7 7 190 2 2 191 5 5 192 1 1 198 1 1 200 2 2 201 11 11 202 9 9 203 4 4 204 12 12 205 140 140 206 27 27 207 13 13 208 2 2 214 2 2 216 4 4 217 12 12 218 3 3 219 2 2 221 3 3 228 1 1 230 1 1 231 2 2 232 4 4 233 1 1 244 1 1 256 1 1 260 1 1 262 5 5 263 62 62 264 15 15 265 6 6 288 3 3 291 1 1 333 1 1 334 1 1 335 1 1 364 4 4 365 1 1 //