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Article dans une revue

Implementation of a MS/MS database for isoquinoline alkaloids and other annonaceous metabolites

Abstract : This data descriptor reports on the upload to a public repository (GNPS) of the IQAMDB, IsoQuinoline and Annonaceous Metabolites Data Base, comprising 320 tandem mass spectra. This project originated from our in-house collection of isoquinolines. The diversity of compounds included in this database was further extended through the contribution of two additional laboratories involved in isoquinoline alkaloids research: University of Angers and University of Manaus. The generated MS/MS data were processed and annotated on an individual basis to promote their straightforward reuse by natural product chemists interested in either the description of new isoquinoline alkaloids or the dereplication of isoquinoline-containing samples. The interest of the current repertoire for dereplication purposes has been validated based on the molecular networking of the well-investigated plant model Annona montana against the IQAMDB‐implemented GNPS.
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Contributeur : Anne-Marie Le Ray Connectez-vous pour contacter le contributeur
Soumis le : jeudi 22 septembre 2022 - 12:12:08
Dernière modification le : vendredi 23 septembre 2022 - 09:37:32


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Salemon Akpa Agnès, Timothée Okpekon, Yvette Affoué Kouadio, Adrien Jagora, Dimitri Bréard, et al.. Implementation of a MS/MS database for isoquinoline alkaloids and other annonaceous metabolites. Scientific Data , Nature Publishing Group, 2022, 9 (270), pp.1-8. ⟨10.1038/s41597-022-01345-y⟩. ⟨hal-03783707⟩



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