Implementation of a MS/MS database for isoquinoline alkaloids and other annonaceous metabolites - Université d'Angers Accéder directement au contenu
Article Dans Une Revue Scientific Data Année : 2022

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

Salemon Akpa Agnès
  • Fonction : Auteur
Timothée Okpekon
  • Fonction : Auteur
Yvette Affoué Kouadio
  • Fonction : Auteur
Adrien Jagora
  • Fonction : Auteur
Emmanoel Costa
  • Fonction : Auteur
Felipe da Silva
  • Fonction : Auteur
Hector Koolen
Pierre Champy
  • Fonction : Auteur
Mehdi Beniddir
Pierre Le Pogam
  • Fonction : Auteur

Résumé

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.
Fichier principal
Vignette du fichier
Implementation of a MS-MS database for isoquinoline alkaloids and other annonaceous metabolites (SD - 2022).pdf (1.29 Mo) Télécharger le fichier
Origine : Fichiers éditeurs autorisés sur une archive ouverte

Dates et versions

hal-03783707 , version 1 (22-09-2022)

Licence

Paternité

Identifiants

Citer

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 , 2022, 9 (270), pp.1-8. ⟨10.1038/s41597-022-01345-y⟩. ⟨hal-03783707⟩

Collections

UNIV-ANGERS SONAS
21 Consultations
66 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More