• 1D NMR of Scotch Whisky - Standard Sample Set 

    Kew, William; Uhrín, Dušan
    NMR spectra for Scotch Whisky samples. Spectra acquired as per the method previously published by Kew et al (Magn Reson Chem. 2017 Sep;55(9):785-796. doi: 10.1002/mrc.4621). Briefly, 500 μL of Scotch Whisky was added to a ...
  • Assigned formula of complex mixture FT-ICR MS datasets 

    Blackburn, John WT; Uhrín, Dušan
    The dataset included is of formula assigned from FT-ICR MS data for samples of Suwannee River fulvic acid (SRFA) and Suwannee River natural organic matter (SRNOM) (both are standards from the International Humic Substances ...
  • ESI-(-)-FT-ICR MS of 85 Scotch Whisky Samples 

    Kew, William; Uhrín, Dušan; Clarke, David; Goodall, Ian
    Data were acquired as part of research into advanced spectroscopic methods for the analysis of Scotch Whisky. 85 Scotch Whisky samples, representing the broad range of Scotch Whisky produced and sold, were analysed by ...
  • NMR of Scotch Whisky Dataset 

    Kew, William; Bell, Nicholle G. A.; Uhrín, Dušan
    This dataset contains a number of NMR spectra for a sample of Scotch Whisky. The acquisition methodology is laid out in a recent paper, "Advanced Solvent Signal Suppression for the Acquisition of 1D and 2D NMR Spectra ...
  • SRFA Negative Mode ESI FTICR Mass Spectra 

    Blackburn, John WT; Kew, William; Graham, Margaret C; Uhrín, Dušan
    Dataset of Suwannee River fulvic acid (SRFA) ESI FTICR mass spectra acquired at different conditions. Data acquired on a Bruker SolariX 12 T in negative mode ESI. Data acquired at 0.1 mg/ml in 50:50 methanol:water ...