MassBank Record: OUF00231



 D-(+)-Fucose; GC-EI-TOF; MS; n TMS; RT:651.459 sec 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: OUF00231
RECORD_TITLE: D-(+)-Fucose; GC-EI-TOF; MS; n TMS; RT:651.459 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$NAME: D-(+)-Fucose CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C6H12O5 CH$EXACT_MASS: 164.06847 CH$SMILES: C[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)C(O)1 CH$IUPAC: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6?/m1/s1 CH$LINK: CAS 2438-80-4 CH$LINK: CHEBI 18287 48204 CH$LINK: CHEMSPIDER 2299091 CH$LINK: PUBCHEM 3034656 CH$LINK: INCHIKEY SHZGCJCMOBCMKK-SVZMEOIVSA-N
AC$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 1709.211 AC$CHROMATOGRAPHY: RETENTION_TIME 651.459 sec AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (LECO)
PK$SPLASH: splash10-014i-0910000000-a10dfa37303c7d1b6db1 PK$NUM_PEAK: 121 PK$PEAK: m/z int. rel.int. 85 7 7 86 8 8 87 8 8 88 2 2 89 46 46 90 5 5 91 2 2 98 1 1 99 6 6 100 30 30 101 18 18 102 11 11 103 16 16 104 1 1 105 22 22 106 2 2 107 1 1 111 2 2 112 3 3 113 3 3 114 16 16 115 19 19 116 9 9 117 999 999 118 117 117 119 45 45 120 4 4 125 1 1 126 2 2 127 6 6 128 4 4 129 58 58 130 23 23 131 57 57 132 10 10 133 51 51 134 9 9 135 4 4 141 2 2 142 5 5 143 19 19 144 4 4 145 6 6 146 2 2 147 128 128 148 23 23 149 18 18 150 3 3 155 2 2 156 2 2 158 3 3 159 3 3 160 117 117 161 55 55 162 9 9 163 10 10 164 2 2 171 1 1 173 5 5 174 2 2 175 2 2 177 1 1 182 1 1 186 2 2 187 1 1 188 2 2 189 9 9 190 2 2 191 16 16 192 3 3 193 2 2 202 1 1 203 9 9 204 16 16 205 4 4 206 2 2 207 2 2 215 1 1 216 4 4 217 10 10 218 3 3 219 26 26 220 6 6 221 6 6 222 2 2 228 2 2 229 1 1 230 2 2 231 15 15 232 5 5 233 19 19 234 8 8 235 1 1 240 1 1 243 1 1 244 2 2 245 1 1 246 1 1 256 2 2 261 1 1 262 3 3 270 1 1 274 1 1 277 40 40 278 12 12 279 5 5 280 2 2 282 1 1 291 2 2 293 2 2 294 1 1 301 1 1 305 2 2 306 2 2 318 1 1 321 14 14 322 4 4 323 3 3 324 1 1 361 1 1 364 1 1 //