Looking for Actives in the Haystack: Merging HRMS2‑Based Molecular Networking, Chemometrics, and 13C NMR-Based Dereplication Approaches

• Published in: Journal of natural products (Washington, D.C.) Vol. 87; no. 10; pp. 2398 - 2407
• Main Authors: Meunier, Manon, Bréard, Dimitri, Boisard, Séverine, Blanchard, Patricia, Litaudon, Marc, Awang, Khalijah, Schinkovitz, Andreas, Derbré, Séverine
• Format: Journal Article
• Language: English
• Published: American Chemical Society and American Society of Pharmacognosy 25.10.2024
• Subjects: advanced glycation end products; bark extracts; chemometrics; computer software; least squares; metabolites; tandem mass spectrometry; xanthones

The identification of bioactive natural products (NPs) in complex mixtures has become an important subject of contemporary NP research. In an attempt to address this challenge, the present work proposes an integrated strategy that combines tandem mass spectrometry (MS2)-based molecular networking (M...