ACCESSION: MSBNK-Osaka_Univ-OUF00494
RECORD_TITLE: D-(+)-Xylose; GC-EI-TOF; MS; n TMS; RT:615.394 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$CHROMATOGRAPHY: RETENTION_INDEX 1630.252
AC$CHROMATOGRAPHY: RETENTION_TIME 615.394 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-0uxr-0920000000-20e98f739df1309edbf5
PK$NUM_PEAK: 133
PK$PEAK: m/z int. rel.int.
  85 7 7
  86 6 6
  87 12 12
  88 9 9
  89 162 162
  90 15 15
  91 8 8
  94 2 2
  97 1 1
  98 3 3
  99 11 11
  100 53 53
  101 43 43
  102 25 25
  103 999 999
  104 98 98
  105 61 61
  106 6 6
  107 1 1
  111 4 4
  112 3 3
  113 11 11
  114 13 13
  115 14 14
  116 15 15
  117 113 113
  118 12 12
  119 20 20
  120 2 2
  121 2 2
  123 1 1
  126 6 6
  127 6 6
  128 4 4
  129 108 108
  130 24 24
  131 51 51
  132 10 10
  133 124 124
  134 18 18
  135 11 11
  140 3 3
  141 1 1
  142 7 7
  143 25 25
  144 3 3
  145 12 12
  147 337 337
  148 52 52
  149 39 39
  150 4 4
  151 2 2
  152 1 1
  157 11 11
  158 8 8
  159 6 6
  160 70 70
  161 25 25
  162 5 5
  163 17 17
  164 3 3
  166 1 1
  168 3 3
  172 3 3
  173 8 8
  174 12 12
  175 14 14
  176 2 2
  177 7 7
  179 1 1
  181 1 1
  188 2 2
  189 108 108
  190 23 23
  191 35 35
  192 8 8
  193 2 2
  198 2 2
  200 5 5
  201 5 5
  202 1 1
  203 8 8
  204 35 35
  205 46 46
  206 11 11
  207 8 8
  208 1 1
  214 4 4
  215 2 2
  216 3 3
  217 395 395
  218 82 82
  219 39 39
  220 6 6
  221 10 10
  222 3 3
  223 1 1
  229 1 1
  230 3 3
  231 6 6
  232 6 6
  233 38 38
  234 13 13
  235 7 7
  236 1 1
  240 1 1
  242 1 1
  246 1 1
  248 2 2
  256 3 3
  261 2 2
  262 11 11
  263 3 3
  274 2 2
  275 1 1
  277 30 30
  278 14 14
  279 5 5
  280 1 1
  288 1 1
  291 3 3
  292 1 1
  293 1 1
  303 1 1
  305 1 1
  306 2 2
  307 125 125
  308 38 38
  309 21 21
  310 5 5
  312 1 1
  320 1 1
  467 1 1
//