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Authors: Adriano RutzORCID , Miwa Dounoue-Kubo, Simon Ollivier, Jonathan BissonORCID , Mohsen Bagheri, Tongchai Saesong, Samad Nejad Ebrahimi, Kornkanok Ingkaninan, Jean-Luc WolfenderORCID , Pierre-Marie AllardORCID
Journal: Frontiers in Plant Science (RoMEO status: Green)
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