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DOI: 10.1055/s-0032-1320304
NMR- and UHPLC-MS correlation for identification of biomarkers from woods of Vitis Vinifera cultivar resistant to pathogens
Vitis cultivars exhibit different susceptibility to pathogens such as Botrytis cinerea or Plasmopara viticola (downy mildew of grape). Therefore the selection of resistant species is important for a sustainable wine production without use of pesticides. The wood extracts from three cultivars with different resistance to pathogens were profiled by HR-NMR, UHPLC-(NI)-ESI-TOF-MS and UHPLC-(NI)-ESI-orbitrap-MS in order to highlight relevant biomarkers accumulated in one complete season. Differenzial metabolomics showed interesting features related to resistance with each analytic method. The comparisons of the selected features (RT and m/z for LC-MS and chemical shift for NMR) showed high convergence which was confirmed by multiple factorial analysis. The use of covariance calculation between LC-MS and NMR data was used in order to help dereplication of highlighted LC-MS features. The pseudo NMR spectra generated in this way were interestingly similar to pure compound spectra of the major biomarkers.