ACCESSION: MSBNK-Osaka_Univ-OUF00493
RECORD_TITLE: D-(+)-Xylose; GC-EI-TOF; MS; n TMS; RT:618.594 sec
DATE: 2016.01.19 (Created 2010.05.20, modified 2013.04.24)
AUTHORS: Tsujimoto Y, Tsugawa H, Bamba T, Fukusaki E, engineering department, Osaka Univ.
LICENSE: CC BY-SA
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide (MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: D-(+)-Xylose
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₅H₁₀O₅
CH$EXACT_MASS: 150.05282
CH$SMILES: OC(C1)C(O)C(O)C(O)O1
CH$IUPAC: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
CH$LINK: CAS 58-86-6
CH$LINK: CHEBI 28518
CH$LINK: CHEMSPIDER 5805
CH$LINK: KEGG C01394 C02205
CH$LINK: PUBCHEM CID:6027
CH$LINK: INCHIKEY SRBFZHDQGSBBOR-LECHCGJUSA-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$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min
AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500
AC$CHROMATOGRAPHY: COLUMN_NAME CP-SIL 8 CB LOW BLEED/MS
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C
AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C (Duration 2 min)-330 C (rate: 15 C/min; Duration 6 min)
AC$CHROMATOGRAPHY: RETENTION_INDEX 1637.217
AC$CHROMATOGRAPHY: RETENTION_TIME 618.594 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)

PK$SPLASH: splash10-0uxr-0920000000-4b97cdad8294ca4e7822
PK$NUM_PEAK: 165
PK$PEAK: m/z int. rel.int.
  85 10 10
  86 13 13
  87 14 14
  88 10 10
  89 127 127
  90 12 12
  91 6 6
  92 1 1
  94 2 2
  95 1 1
  96 1 1
  97 1 1
  98 5 5
  99 11 11
  100 42 42
  101 46 46
  102 22 22
  103 999 999
  104 97 97
  105 72 72
  106 5 5
  107 2 2
  110 1 1
  111 4 4
  112 5 5
  113 12 12
  114 24 24
  115 18 18
  116 15 15
  117 109 109
  118 12 12
  119 17 17
  120 2 2
  121 1 1
  126 6 6
  127 7 7
  128 8 8
  129 94 94
  130 22 22
  131 49 49
  132 9 9
  133 126 126
  134 18 18
  135 11 11
  136 1 1
  140 3 3
  141 3 3
  142 9 9
  143 23 23
  144 4 4
  145 16 16
  146 3 3
  147 366 366
  148 60 60
  149 41 41
  150 5 5
  151 3 3
  152 1 1
  154 1 1
  155 1 1
  156 3 3
  157 9 9
  158 12 12
  159 5 5
  160 92 92
  161 23 23
  162 6 6
  163 21 21
  164 3 3
  165 2 2
  166 1 1
  167 1 1
  168 10 10
  169 3 3
  170 2 2
  171 1 1
  172 7 7
  173 8 8
  174 10 10
  175 12 12
  176 2 2
  177 5 5
  178 1 1
  184 2 2
  185 1 1
  186 2 2
  187 1 1
  188 1 1
  189 101 101
  190 22 22
  191 38 38
  192 7 7
  193 3 3
  198 6 6
  199 1 1
  200 4 4
  201 6 6
  202 3 3
  203 6 6
  204 43 43
  205 44 44
  206 10 10
  207 8 8
  208 1 1
  214 1 1
  215 3 3
  216 11 11
  217 418 418
  218 91 91
  219 41 41
  220 6 6
  221 9 9
  222 2 2
  223 1 1
  228 2 2
  229 1 1
  230 3 3
  231 8 8
  232 5 5
  233 29 29
  234 25 25
  235 6 6
  236 2 2
  240 2 2
  241 1 1
  242 4 4
  243 1 1
  244 2 2
  246 2 2
  247 1 1
  248 3 3
  256 5 5
  257 4 4
  258 2 2
  262 10 10
  263 3 3
  264 1 1
  265 1 1
  272 1 1
  274 4 4
  275 1 1
  277 31 31
  278 12 12
  279 6 6
  280 2 2
  288 4 4
  289 1 1
  290 1 1
  291 4 4
  292 1 1
  302 1 1
  305 2 2
  306 3 3
  307 143 143
  308 44 44
  309 21 21
  310 5 5
  311 1 1
  318 1 1
  319 1 1
  330 2 2
  331 1 1
  332 1 1
  362 1 1
  467 1 1
//