MassBank Record: OUF00493



 D-(+)-Xylose; GC-EI-TOF; MS; n TMS; RT:618.594 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00493
RECORD_TITLE: D-(+)-Xylose; GC-EI-TOF; MS; n TMS; RT:618.594 sec
DATE: 2016.01.19 (2010.05.20, 2013.04.24)
AUTHORS: Tsujimoto Yengineering department, Osaka Univ., Tsugawa Hengineering department, Osaka Univ., Bamba Tengineering department, Osaka Univ., Fukusaki Eengineering department, Osaka Univ., 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$LINK: PUBCHEM 6027 CH$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 //