Accelerating Metabolite Identification in Natural Product Research: Toward an Ideal Combination of Liquid Chromatography-High-Resolution Tandem Mass Spectrometry and NMR Profiling, in Silico Databases, and Chemometrics

Anal Chem. 2019 Jan 2;91(1):704-742. doi: 10.1021/acs.analchem.8b05112. Epub 2018 Dec 14.

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.
⁵ ThalassOMICS Metabolomics Facility, Plateforme Corsaire , Biogenouest , 44035 Nantes , France.

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