ACCESSION: MSBNK-RIKEN-PR100566
RECORD_TITLE: Guanosine 5'-diphospho-beta-L-fucose; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (Created 2010.06.21, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Guanosine 5'-diphospho-beta-L-fucose
CH$NAME: GDP-Fuc
CH$NAME: GDP-fucose
CH$NAME: 6-Deoxy-beta-L-galactopyranosylguanosine 5'-diphosphate
CH$COMPOUND_CLASS: Natural Product; Nucleoside; Phosphates
CH$FORMULA: C₁₆H₂₅N₅O₁₅P₂
CH$EXACT_MASS: 589.08224
CH$SMILES: NC(N4)=Nc(c3C(=O)4)n(cn3)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OC(O2)[C@@H](O)[C@H](O)[C@H](O)[C@H](C)2)1
CH$IUPAC: InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1
CH$LINK: CAS 15839-70-0
CH$LINK: CHEMSPIDER 18766595
CH$LINK: INCHIKEY LQEBEXMHBLQMDB-JGQUBWHWSA-N
CH$LINK: KEGG C00325
CH$LINK: KNAPSACK C00007245
CH$LINK: PUBCHEM CID:135398655

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

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

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
//