ACCESSION: MSBNK-RIKEN_ReSpect-PT202450
RECORD_TITLE: GDP-Fuc, Guanosine-5'-diphospho-beta-L-fucose, [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl] hydrogen phosphate, 6-Deoxy-beta-L-galactopyranosylguanosine 5'-diphosphate, GDP-fucose; LC-ESI-QTOF; MS2
DATE: 2008.07.28
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: GDP-Fuc
CH$NAME: Guanosine-5'-diphospho-beta-L-fucose
CH$NAME: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphosphoryl] hydrogen phosphate
CH$NAME: 6-Deoxy-beta-L-galactopyranosylguanosine 5'-diphosphate
CH$NAME: GDP-fucose
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Nucleotide CLASS3 Guanosine phosphate
CH$FORMULA: C₁₆H₂₅N₅O₁₅P₂
CH$EXACT_MASS: 589.348
CH$SMILES: CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=NC4=C3NC(=NC4=O)N)O)O)O)O)O
CH$IUPAC: InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)
CH$LINK: CAS 15839-70-0
CH$LINK: INCHIKEY LQEBEXMHBLQMDB-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M-H]-
MS$FOCUSED_ION: PRECURSOR_M/Z 588.07444

PK$SPLASH: splash10-002r-4503490000-4c9c52b7666a06a6fb93
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  78.9599 408.4 503
  150.0423 179.6 221
  158.9255 295.6 364
  272.9583 55.87 69
  304.9841 59.34 73
  344.0403 157.2 194
  362.0523 96.87 119
  424.0078 160.6 198
  442.0175 246.7 304
  588.0745 811.2 999
//