MassBank Record: OUF00494



 D-(+)-Xylose; GC-EI-TOF; MS; n TMS; RT:615.394 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00494
RECORD_TITLE: D-(+)-Xylose; GC-EI-TOF; MS; n TMS; RT:615.394 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$CHROMATOGRAPHY: RETENTION_INDEX 1630.252 AC$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 //