ACCESSION: MSBNK-Osaka_Univ-OUF00231
RECORD_TITLE: D-(+)-Fucose; GC-EI-TOF; MS; n TMS; RT:651.459 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$NAME: D-(+)-Fucose
CH$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
//