ACCESSION: MSBNK-Osaka_Univ-OUF00232
RECORD_TITLE: D-(+)-Fucose; GC-EI-TOF; MS; n TMS; RT:657.959 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$CHROMATOGRAPHY: RETENTION_INDEX 1724.119
AC$CHROMATOGRAPHY: RETENTION_TIME 657.959 sec
AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C

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

PK$SPLASH: splash10-014i-0910000000-9868780a714fa167ccc5
PK$NUM_PEAK: 117
PK$PEAK: m/z int. rel.int.
  85 10 10
  86 5 5
  87 9 9
  88 5 5
  89 79 79
  90 7 7
  91 5 5
  97 1 1
  98 2 2
  99 8 8
  100 42 42
  101 34 34
  102 17 17
  103 90 90
  104 10 10
  105 18 18
  106 1 1
  107 1 1
  108 1 1
  111 2 2
  112 2 2
  113 5 5
  114 6 6
  115 22 22
  116 12 12
  117 999 999
  118 111 111
  119 49 49
  120 3 3
  121 1 1
  126 2 2
  127 6 6
  128 2 2
  129 79 79
  130 23 23
  131 72 72
  132 10 10
  133 73 73
  134 10 10
  135 6 6
  141 2 2
  142 4 4
  143 26 26
  144 5 5
  145 5 5
  146 1 1
  147 170 170
  148 27 27
  149 21 21
  150 2 2
  151 1 1
  155 2 2
  156 1 1
  157 1 1
  158 3 3
  159 3 3
  160 91 91
  161 53 53
  162 9 9
  163 11 11
  164 2 2
  170 1 1
  171 6 6
  172 5 5
  173 4 4
  174 2 2
  175 2 2
  177 4 4
  182 1 1
  186 1 1
  188 1 1
  189 17 17
  190 5 5
  191 18 18
  192 3 3
  193 1 1
  201 12 12
  202 3 3
  203 12 12
  204 21 21
  205 10 10
  206 3 3
  207 2 2
  214 4 4
  215 1 1
  216 1 1
  217 15 15
  218 5 5
  219 32 32
  220 7 7
  221 6 6
  222 1 1
  230 1 1
  231 11 11
  232 4 4
  233 24 24
  234 7 7
  235 5 5
  236 1 1
  244 4 4
  245 2 2
  246 2 2
  262 1 1
  270 1 1
  274 1 1
  277 43 43
  278 14 14
  279 7 7
  280 1 1
  291 4 4
  292 1 1
  293 2 2
  305 1 1
  306 1 1
  321 17 17
  322 6 6
  323 2 2
//