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Accelerating metabolite identification in natural product research: toward an ideal combination of LC-HRMS/MS and NMR profiling, in silico databases and chemometrics.
Jean-Luc Wolfender, 1 Jean-Marc Nuzillard, 2 Justin J. J. Van Der Hooft, 3 Jean-Hugues Renault, 2 Samuel Bertrand 4
1  School of Pharmaceutical Sciences, EPGL, University of Geneva, University of Lausanne, CMU, 1 Rue Michel Servet, 1211 Geneva 4, Switzerland
2  Institut de Chimie Moléculaire de Reims, UMR CNRS 7312, Université de Reims Champagne Ardenne, 51687 Reims Cedex 2, France
3  Bioinformatics Group, Wageningen University, Wageningen 6708 PB, The Netherlands
4  Groupe Mer, Molécules, Santé-EA 2160, UFR des Sciences Pharmaceutiques et Biologiques, Université de Nantes, 44035 Nantes, France

Published: 19 November 2018 by American Chemical Society (ACS) in Analytical Chemistry
American Chemical Society (ACS), Volume 91; 10.1021/acs.analchem.8b05112
Keywords: multivariate analysis, identification, natural product, orthogonal, metabolite profiling, chemical ecology, structural, Natural Extracts, Specialized, NP research
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