Metabolite elucidation of 2‐fluoro‐deschloroketamine (2F‐DCK) using molecular networking across three complementary in vitro and in vivo models

New psychoactive substance cocktail in an intensive care intoxication case elucidated by molecular networking

(2021) Romain Pelletier et al.   CLINICAL TOXICOLOGY

Presence of the ketamine analog of 2‐fluorodeschloroketamine residues in wastewater

(2021) Xue‐Ting Shao et al.   Drug Testing and Analysis

Method development for the identification of methoxpropamine, 2-fluoro-deschloroketamine and deschloroketamine and their main metabolites in blood and hair and forensic application

(2021) Serena Mestria et al.   FORENSIC SCIENCE INTERNATIONAL

Fatal intoxication related to two new arylcyclohexylamine derivatives (2F-DCK and 3-MeO-PCE)

(2021) Thomas Gicquel et al.   FORENSIC SCIENCE INTERNATIONAL

In vivo and in vitro α-amanitin metabolism studies using molecular networking

(2021) Brendan Le Daré et al.   TOXICOLOGY LETTERS

Comparative molecular networking analysis of a Rauwolfia plant powder and biological matrices in a fatal ingestion case

(2020) Sophie Allard et al.   Forensic Toxicology

Intoxication cases associated with the novel designer drug 3′,4′‐methylenedioxy‐α‐pyrrolidinohexanophenone and studies on its human metabolism using high‐resolution mass spectrometry

(2020) Marcel Grapp et al.   Drug Testing and Analysis

Emergence of new psychoactive substance 2-fluorodeschloroketamine: Toxicology and urinary analysis in a cluster of patients exposed to ketamine and multiple analogues

(2020) Magdalene H.Y. Tang et al.   FORENSIC SCIENCE INTERNATIONAL

Non-oxidative ethanol metabolism in human hepatic cells in vitro: Involvement of uridine diphospho-glucuronosyltransferase 1A9 in ethylglucuronide production

(2020) Chloé Hugbart et al.   TOXICOLOGY IN VITRO

How to Study the Metabolism of New Psychoactive Substances for the Purpose of Toxicological Screenings—A Follow-Up Study Comparing Pooled Human Liver S9, HepaRG Cells, and Zebrafish Larvae

(2020) Lea Wagmann et al.   Frontiers in Chemistry

New insights into quetiapine metabolism using molecular networking

(2020) Brendan Le Daré et al.   Scientific Reports

SIRIUS 4: a rapid tool for turning tandem mass spectra into metabolite structure information

(2019) Kai Dührkop et al.   NATURE METHODS

A case of fatal acebutolol poisoning: an illustration of the potential of molecular networking

(2019) Brendan Le Daré et al.   INTERNATIONAL JOURNAL OF LEGAL MEDICINE

Ketamine analogues multiplying in Hong Kong

(2019) C Li et al.   HONG KONG MEDICAL JOURNAL

Ketamine analogues: Comparative toxicokinetic in vitro–in vivo extrapolation and quantification of 2-fluorodeschloroketamine in forensic blood and hair samples

(2019) Anders Bork Davidsen et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

In vitro Characterization of NPS Metabolites Produced by Human Liver Microsomes and the HepaRG Cell Line Using Liquid Chromatographyhigh Resolution Mass Spectrometry (LC-HRMS) Analysis: Application to Furanyl Fentanyl

(2018) Camille Richeval et al.   CURRENT PHARMACEUTICAL BIOTECHNOLOGY

Application of a molecular networking approach for clinical and forensic toxicology exemplified in three cases involving 3-MeO-PCP, doxylamine, and chlormequat

(2018) Sophie Allard et al.   Drug Testing and Analysis

Case report: relevance of metabolite identification to detect new synthetic opioid intoxications illustrated by U-47700

(2018) Camille Richeval et al.   INTERNATIONAL JOURNAL OF LEGAL MEDICINE

Role of Cytochrome P4502B6 Polymorphisms in Ketamine Metabolism and Clearance

(2016) Lesley K. Rao et al.   ANESTHESIOLOGY

Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking

(2016) Mingxun Wang et al.   NATURE BIOTECHNOLOGY

Stereoselective and regiospecific hydroxylation of ketamine and norketamine

(2012) Zeruesenay Desta et al.   XENOBIOTICA

ProteoWizard: open source software for rapid proteomics tools development

(2008) Darren Kessner et al.   BIOINFORMATICS