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authors Adriano Rutz ORCID , Miwa Dounoue-Kubo , Simon Ollivier , Jonathan Bisson ORCID , Mohsen Bagheri , Tongchai Saesong , Samad Nejad Ebrahimi , Kornkanok Ingkaninan , Jean-Luc Wolfender ORCID , Pierre-Marie Allard ORCID
journal Frontiers in Plant Science (RoMEO status: Green)
subjects Pharmacognosy Taxonomy Mass spectrometry Annotation
Mass spectrometry (MS) offers unrivalled sensitivity for the metabolite profiling of complex biological matrices encountered in natural products (NP) research. The massive and complex sets of spectral data generated by such platforms require computational approaches for their interpretation. Within such approaches, computational metabolite annotation automatically links spectral data to candidate structures via a score, which is usually established between the acquired data and experimental or theoretical spectral databases (DB). This process leads to various candidate structures for each MS features.
categories publications science