Since the widespread diffusion of new psychoactive substances, forensic laboratories are often required to identify new drugs and their metabolites for which information or reference standards are lacking. We performed a study on N-methyl-2-aminoindane (NM2AI) metabolism in silico and in vivo, in order to identify the main metabolites to be screened in the different biological samples. We performed the in silico metabolism prediction of NM2AI using MetaSiteTM software, and subsequently verified the presence of metabolites in the blood, urine and hair of mice after NM2AI administration. The samples were analyzed by liquid chromatography-high-resolution mass spectrometry (LC-HRMS) with a benchtop Orbitrap Exactive mass detector. This allowed the evaluation of the agreement between software prediction and experimental results in biological samples. LC-HRMS analysis identified seven main metabolites in the urine. They were identified, by their accurate masses and fragmentation patterns, as 2-aminoindane (2AI), two hydroxy-2AI and four hydroxy-NM2AI; one of the hydroxy-NM2AI and one of the hydroxy-2AI underwent also to conjugation. NM2AI and 2AI were also detected by LC-HRMS in the hair and blood. Based on these findings, we developed an LC-HRMS method for the screening of NM2AI and metabolites in urine, blood and hair samples. This can be of primary effectiveness to uncover the abuse of NM2AI and related possible intoxications.

Mestria, S., Odoardi, S., Federici, S., Bilel, S., Tirri, M., Marti, M., Rossi, S. S., Metabolism Study of N-Methyl 2-amino Indane (NM2AI) and Determination of Metabolites in Biological Samples by LC-HRMS, <<JOURNAL OF ANALYTICAL TOXICOLOGY>>, 2020; 2020 (N/A): N/A-N/A. [doi:10.1093/jat/bkaa111] [http://hdl.handle.net/10807/162478]

Metabolism Study of N-Methyl 2-amino Indane (NM2AI) and Determination of Metabolites in Biological Samples by LC-HRMS

Odoardi, Sara;Rossi, Sabina Strano
2020

Abstract

Since the widespread diffusion of new psychoactive substances, forensic laboratories are often required to identify new drugs and their metabolites for which information or reference standards are lacking. We performed a study on N-methyl-2-aminoindane (NM2AI) metabolism in silico and in vivo, in order to identify the main metabolites to be screened in the different biological samples. We performed the in silico metabolism prediction of NM2AI using MetaSiteTM software, and subsequently verified the presence of metabolites in the blood, urine and hair of mice after NM2AI administration. The samples were analyzed by liquid chromatography-high-resolution mass spectrometry (LC-HRMS) with a benchtop Orbitrap Exactive mass detector. This allowed the evaluation of the agreement between software prediction and experimental results in biological samples. LC-HRMS analysis identified seven main metabolites in the urine. They were identified, by their accurate masses and fragmentation patterns, as 2-aminoindane (2AI), two hydroxy-2AI and four hydroxy-NM2AI; one of the hydroxy-NM2AI and one of the hydroxy-2AI underwent also to conjugation. NM2AI and 2AI were also detected by LC-HRMS in the hair and blood. Based on these findings, we developed an LC-HRMS method for the screening of NM2AI and metabolites in urine, blood and hair samples. This can be of primary effectiveness to uncover the abuse of NM2AI and related possible intoxications.
Inglese
Mestria, S., Odoardi, S., Federici, S., Bilel, S., Tirri, M., Marti, M., Rossi, S. S., Metabolism Study of N-Methyl 2-amino Indane (NM2AI) and Determination of Metabolites in Biological Samples by LC-HRMS, <<JOURNAL OF ANALYTICAL TOXICOLOGY>>, 2020; 2020 (N/A): N/A-N/A. [doi:10.1093/jat/bkaa111] [http://hdl.handle.net/10807/162478]
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/10807/162478
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