title: Identification and analytical characterization of nine synthetic cathinone derivatives N-ethylhexedrone, 4-Cl-pentedrone, 4-Cl-α-EAPP, propylone, N-ethylnorpentylone, 6-MeO-bk-MDMA, α-PiHP, 4-Cl-α-PHP, and 4-F-α-PHP.
abstract: Clinical and forensic toxicology laboratories are continuously confronted by analytical challenges when dealing with the new psychoactive substances (NPS) phenomenon. In this study, the analytical characterization of nine synthetic cathinones is described: 2-(ethylamino)-1-phenylhexan-1-one (N-ethylhexedrone 1), 1-(4-chlorophenyl)-2-(methylamino)pentan-1-one (4-Cl-pentedrone 2), 1-(4-chlorophenyl)-2-(ethylamino)pentan-1-one (4-Cl-α-EAPP 3), 1-(3,4-methylenedioxyphenyl)-2-propylaminopropan-1-one (propylone 4), 1-(3,4-methylenedioxyphenyl)-2-ethylaminopentan-1-one (N-ethylnorpentylone 5), 1-(6-methoxy-3,4-methylenedioxyphenyl)-2-methylaminopropan-1-one (6-MeO-bk-MDMA 6), 4-methyl-1-phenyl-2-(pyrrolidin-1-yl)pentan-1-one (α-PiHP 7), 1-(4-chlorophenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-Cl-α-PHP 8), and 1-(4-fluorophenyl)-2-(pyrrolidin-1-yl)hexan-1-one (4-F-α-PHP 9). The identification was based on ultra-high-performance liquid chromatography-quadrupole time-of-flight-mass spectrometry (UHPLC-QTOF-MS), gas chromatography-mass spectrometry (GC-MS), and nuclear magnetic resonance (NMR) spectroscopy. The mass-spectral fragmentations of these compounds following collision-induced dissociation (CID) and electron ionization (EI) were studied to assist forensic laboratories in identifying these compounds or other substances with similar structure in their case work. To our knowledge, no analytical data about the compounds 1-4, 7, and 8 have appeared until now, making this the first report on these compounds. The GC-MS data of 5, 6 and 9 has been reported, but this study added the LC-MS, Fourier Transform Infrared (FTIR) and NMR data for additional characterization. Copyright © 2016 John Wiley & Sons, Ltd.
authors.affiliation: National Narcotics Laboratory, Drug Intelligence and Forensic Center of the Ministry of Public Security, Beijing, China.
authors.forename: Cuimei
authors.initials: C
authors.lastname: Liu
authors.affiliation: National Narcotics Laboratory, Drug Intelligence and Forensic Center of the Ministry of Public Security, Beijing, China.
authors.forename: Wei
authors.initials: W
authors.lastname: Jia
authors.affiliation: National Narcotics Laboratory, Drug Intelligence and Forensic Center of the Ministry of Public Security, Beijing, China.
authors.forename: Tao
authors.initials: T
authors.lastname: Li
authors.affiliation: National Narcotics Laboratory, Drug Intelligence and Forensic Center of the Ministry of Public Security, Beijing, China.
authors.forename: Zhendong
authors.initials: Z
authors.lastname: Hua
authors.affiliation: National Narcotics Laboratory, Drug Intelligence and Forensic Center of the Ministry of Public Security, Beijing, China.
authors.forename: Zhenhua
authors.initials: Z
authors.lastname: Qian
mesh_terms: D000470:Alkaloids / Q000032:analysis*; D002851:Chromatography, High Pressure Liquid / Q000379:methods; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods; D013287:Illicit Drugs / Q000032:analysis*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods; D013058:Mass Spectrometry / Q000379:methods; D011619:Psychotropic Drugs / Q000032:analysis*
chemical_list: D000470:Alkaloids; D013287:Illicit Drugs; D011619:Psychotropic Drugs; C023665:cathinone
keywords: NMR; identification; mass spectrometry; new psychoactive substances; synthetic cathinones