Planta Med 2012; 78 - CL69
DOI: 10.1055/s-0032-1320304

NMR- and UHPLC-MS correlation for identification of biomarkers from woods of Vitis Vinifera cultivar resistant to pathogens

M Halabalaki 1, S Bertrand 2, A Stefanou 1, J Boccard 2, S Kostidis 1, S Rudaz 2, E Gikas 1, AL Skaltsounis 1, K Gindro 3, JL Wolfender 2
  • 1Laboratory of Pharmacognosy and Pharmaceutical Chemistry, School of Pharmacy, Panepistimioupoli, Zografou, 15771, Athens, Greece
  • 2School of Pharmaceutical Sciences, EPGL, University of Geneva, University of Lausanne, quai Ernest-Ansermet 30, CH-1211 Geneva, Switzerland
  • 3Mycology group, Agroscope Changins ACW, Route de Duillier, CH-1260 Nyon, Switzerland

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.