title: Identification of five pyrrolidinyl substituted cathinones and the collision-induced dissociation of electrospray-generated pyrrolidinyl substituted cathinones.
abstract: This article reports on the analytical properties of five pyrrolidinyl substituted cathinones: α-pyrrolidinononaphenone (α-PNP, 1), 4-chloro-α-pyrrolidinopropiophenone (4-Cl-α-PPP, 2), 4-chloro-α-pyrrolidinovalerophenone (4-Cl-α-PVP, 3), 5-dihydrobenzofuranpyrovalerone (5-DBFPV, 4), and 2-(pyrrolidin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-one (β-THNPH, 5). These identifications were based on liquid chromatography-quadrupole time-of-flight-mass spectrometry (LC-QTOF-MS), gas chromatography-mass spectrometry (GC-MS) and nuclear magnetic resonance spectroscopy (NMR). To our knowledge, no analytical data about α-PNP, 4-Cl-α-PPP, 4-Cl-α-PVP, and β-THNPH have appeared until now, making this the first report on these compounds. Moreover, in order to study the collision-induced dissociation (CID) characteristic fragmentation routes of pyrrolidinyl substituted cathinones, a total number of 13 pyrrolidinyl substituted cathinones were selected and discussed. The major fragmentation pathways under CID mode are produced, leading to the formation of characteristic ions. Product ions of [M-C4H9N]+and CnH2nN+indicate the presence of pyrrolidinyl substitution. Characteristic fragments are also produced via the cleavages of the CH-N(CH2)4bond and the CO-CHN bond. 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: Zhenhua
authors.initials: Z
authors.lastname: Qian
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: Cuimei
authors.initials: C
authors.lastname: Liu
mesh_terms: D000470:Alkaloids / Q000032:analysis*; D002853:Chromatography, Liquid; D008401:Gas Chromatography-Mass Spectrometry; D054879:Halogenation; D013287:Illicit Drugs / Q000032:analysis*; D009682:Magnetic Resonance Spectroscopy; D011427:Propiophenones / Q000032:analysis*; D011619:Psychotropic Drugs / Q000032:analysis*; D011759:Pyrrolidines / Q000032:analysis*; D021241:Spectrometry, Mass, Electrospray Ionization
chemical_list: D000470:Alkaloids; D013287:Illicit Drugs; D011427:Propiophenones; D011619:Psychotropic Drugs; D011759:Pyrrolidines; C542924:alpha-pyrrolidinovalerophenone; C487966:alpha-pyrrolidinopropiophenone; C023665:cathinone
keywords: 4-Cl-α-PPP; 4-Cl-α-PVP; Pyrrolidinyl substituted cathinones; α-PNP; β-THNPH