ACCESSION: MSBNK-Kazusa-KZ000130
RECORD_TITLE: D-Xylulose; GC-EI-TOF; MS; 4 TMS; BP:73
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_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
//