ACCESSION: MSBNK-RIKEN-PR010054
RECORD_TITLE: D-Xylulose; GC-EI-TOF; MS; 4 TMS; 1 MEOX; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: D-Xylulose
CH$NAME: D-threo-Pentulose
CH$NAME: D-Lyxulose
CH$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: CHEBI 17140
CH$LINK: KEGG C00310
CH$LINK: NIKKAJI J14.195J
CH$LINK: PUBCHEM 3604
CH$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$CHROMATOGRAPHY: RETENTION_INDEX 1660
AC$CHROMATOGRAPHY: RETENTION_TIME 410.788 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C18H45NO5Si4
MS$FOCUSED_ION: DERIVATIVE_MASS 467.23748
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS; 1 MEOX
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00di-9820000000-a4f820c0bafedc7e680c
PK$NUM_PEAK: 135
PK$PEAK: m/z int. rel.int.
  60 7 7
  61 9 9
  66 7 7
  67 2 2
  70 7 7
  71 4 4
  72 19 19
  73 999 999
  74 87 87
  75 54 54
  76 4 4
  77 7 7
  82 7 7
  83 1 1
  84 38 38
  85 6 6
  86 3 3
  87 6 6
  88 7 7
  89 96 96
  90 8 8
  91 4 4
  96 1 1
  98 3 3
  99 3 3
  100 10 10
  101 22 22
  102 7 7
  103 163 163
  104 16 16
  105 14 14
  106 1 1
  111 1 1
  112 1 1
  113 4 4
  114 27 27
  115 11 11
  116 7 7
  117 188 188
  118 19 19
  119 15 15
  120 1 1
  126 8 8
  127 1 1
  128 4 4
  129 14 14
  130 5 5
  131 20 20
  132 4 4
  133 64 64
  134 8 8
  135 4 4
  140 1 1
  141 1 1
  142 22 22
  143 7 7
  144 2 2
  145 3 3
  146 1 1
  147 336 336
  148 52 52
  149 29 29
  150 3 3
  151 1 1
  154 5 5
  155 1 1
  156 2 2
  157 2 2
  158 3 3
  159 6 6
  160 1 1
  161 1 1
  163 12 12
  164 2 2
  165 1 1
  168 1 1
  170 1 1
  172 15 15
  173 134 134
  174 20 20
  175 9 9
  176 1 1
  177 5 5
  178 1 1
  184 1 1
  186 2 2
  187 1 1
  188 2 2
  189 8 8
  190 2 2
  191 6 6
  192 1 1
  198 1 1
  200 2 2
  201 11 11
  202 10 10
  203 4 4
  204 12 12
  205 171 171
  206 33 33
  207 18 18
  208 2 2
  214 2 2
  216 4 4
  217 14 14
  218 4 4
  219 2 2
  221 3 3
  228 1 1
  230 1 1
  231 3 3
  232 4 4
  233 2 2
  242 1 1
  244 1 1
  246 1 1
  256 1 1
  260 1 1
  262 4 4
  263 83 83
  264 18 18
  265 8 8
  266 1 1
  288 4 4
  289 1 1
  291 1 1
  318 1 1
  333 2 2
  334 2 2
  335 1 1
  362 1 1
  364 5 5
  365 1 1
  452 1 1
  467 1 1
//