title: Fragmentation of synthetic cannabinoids with an isopropyl group or a tert-butyl group ionized by electron impact and electrospray.
abstract: This study described a fragmentation pattern of 21 synthetic cannabinoids with an isopropyl group or a tert-butyl group by electron impact ionization quadrupole mass spectrometry and electrospray ionization time-of-flight mass spectrometry in the positive mode. The compounds were categorized into four types according to substituted group such as a terminal amide and ester. The characteristic fragment ion in each group was obtained. The main common fragment ions for the two ionizations were formed by C-N cleavage of the amide group adjacent to the N-hetero rings. Additionally, the fragment ions indicated the difference in the basic structure as well as substituted group, which are useful for estimating the chemical structures of unknown compounds. Copyright © 2015 John Wiley & Sons, Ltd.
authors.affiliation: Hyogo Prefectural Institute of Public Health and Consumer Sciences, 2-1-29, Arata-cho, Hyogo-ku, Kobe, 652-0032, Japan.
authors.forename: Shigeki
authors.initials: S
authors.lastname: Akamatsu
authors.affiliation: Hyogo Prefectural Institute of Public Health and Consumer Sciences, 2-1-29, Arata-cho, Hyogo-ku, Kobe, 652-0032, Japan.
authors.forename: Masashi
authors.initials: M
authors.lastname: Yoshida
mesh_terms: D002186:Cannabinoids / Q000737:chemistry*; D015198:Designer Drugs / Q000737:chemistry*; D007477:Ions / Q000737:chemistry; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*
chemical_list: D002186:Cannabinoids; D015198:Designer Drugs; D007477:Ions
keywords: fragmentation pattern; isopropyl group; mass spectrometry; synthetic cannabinoid; tert-butyl group