Madeleine J Swortwood1, Jeremy Carlier1, Kayla N Ellefsen1,2, Ariane Wohlfarth1,3, Xingxing Diao1, Marta Concheiro-Guisan1,4, Robert Kronstrand5,6, Marilyn A Huestis1. 1. Chemistry & Drug Metabolism, Intramural Research Program, National Institute on Drug Abuse, NIH, Baltimore, MD 21224, USA. 2. Program in Toxicology, University of Maryland Baltimore, Baltimore, MD 21201, USA. 3. National Board of Forensic Medicine, Linköping, Sweden. 4. Department of Sciences, John Jay College of Criminal Justice, City University of New York, New York, NY 10019, USA. 5. Department of Forensic Genetics & Forensic Toxicology, National Board of Forensic Medicine, Linköping, Sweden. 6. Department of Medical & Health Sciences, Faculty of Health Sciences, Linköping University, Linköping, Sweden.
Abstract
BACKGROUND: Little or no pharmacological or toxicological data are available for novel psychoactive substances when they first emerge, making their identification and interpretation in biological matrices challenging. MATERIALS & METHODS: A new synthetic cathinone, α-pyrrolidinopentiothiophenone (α-PVT), was incubated with hepatocytes and samples were analyzed using liquid chromatography coupled to a Q Exactive™ Orbitrap mass spectrometer. Authentic urine specimens from suspected α-PVT cases were also analyzed. Scans were data mined with Compound Discoverer™ for identification and structural elucidation of metabolites. RESULTS/ CONCLUSION: Seven α-PVT metabolites were identified in hepatocyte incubations, and in the authentic urine samples, also with an additional monohydroxylated product and a glucuronide of low intensity. α-PVT dihydroxypyrrolidinyl, α-PVT 2-ketopyrrolidinyl, α-PVT hydroxythiophenyl and α-PVT thiophenol had the most intense in vivo signals.
BACKGROUND: Little or no pharmacological or toxicological data are available for novel psychoactive substances when they first emerge, making their identification and interpretation in biological matrices challenging. MATERIALS & METHODS: A new synthetic cathinone, α-pyrrolidinopentiothiophenone (α-PVT), was incubated with hepatocytes and samples were analyzed using liquid chromatography coupled to a Q Exactive™ Orbitrap mass spectrometer. Authentic urine specimens from suspected α-PVT cases were also analyzed. Scans were data mined with Compound Discoverer™ for identification and structural elucidation of metabolites. RESULTS/ CONCLUSION: Seven α-PVT metabolites were identified in hepatocyte incubations, and in the authentic urine samples, also with an additional monohydroxylated product and a glucuronide of low intensity. α-PVTdihydroxypyrrolidinyl, α-PVT2-ketopyrrolidinyl, α-PVT hydroxythiophenyl and α-PVTthiophenol had the most intense in vivo signals.
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