ACCESSION: MSBNK-Kazusa-KZ000026
RECORD_TITLE: D-Xylulose; GC-EI-TOF; MS; 4 TMS; BP:147
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//