Molecular Network-Based Identification of Tramadol Metabolites in a Fatal Tramadol Poisoning - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Metabolites Année : 2022

Molecular Network-Based Identification of Tramadol Metabolites in a Fatal Tramadol Poisoning

Romain Magny
  • Fonction : Auteur
  • PersonId : 1083610
Bertrand Lefrère
  • Fonction : Auteur
  • PersonId : 1199995
Bruno Mégarbane
Pascal Houzé
  • Fonction : Auteur
  • PersonId : 1094087

Résumé

Identification of xenobiotics and their phase I/II metabolites in poisoned patients remains challenging. Systematic approaches using bioinformatic tools are needed to detect all compounds as exhaustively as possible. Here, we aimed to assess an analytical workflow using liquid chromatography coupled to high-resolution mass spectrometry with data processing based on a molecular network to identify tramadol metabolites in urine and plasma in poisoned patients. The generated molecular network from liquid chromatography coupled to high-resolution tandem mass spectrometry data acquired in both positive and negative ion modes allowed for the identification of 25 tramadol metabolites in urine and plasma, including four methylated metabolites that have not been previously reported in humans or in vitro models. While positive ion mode is reliable for generating a network of tramadol metabolites displaying a dimethylamino radical in their structure, negative ion mode was useful to cluster phase II metabolites. In conclusion, the combined use of molecular networks in positive and negative ion modes is a suitable and robust tool to identify a broad range of metabolites in poisoned patients, as shown in a fatal tramadol-poisoned patient.
Fichier principal
Vignette du fichier
metabolites-12-00665.pdf (1.2 Mo) Télécharger le fichier
Origine Fichiers éditeurs autorisés sur une archive ouverte

Dates et versions

hal-03891770 , version 1 (09-12-2022)

Identifiants

Citer

Romain Magny, Nicolas Auzeil, Bertrand Lefrère, Bruno Mégarbane, Pascal Houzé, et al.. Molecular Network-Based Identification of Tramadol Metabolites in a Fatal Tramadol Poisoning. Metabolites, 2022, 12, ⟨10.3390/metabo12070665⟩. ⟨hal-03891770⟩
12 Consultations
30 Téléchargements

Altmetric

Partager

Gmail Mastodon Facebook X LinkedIn More