Group identification of O-alkyl alkylphosphonothionofluoridates by electron ionization mass spectra on the basis of generalized spectral images of taxonomic groups
T14N3
Yu.I. Morozik, A.V. Dudkin, I.V. Ribal’chenk, A.R. Naumov
A method for group identification of poorly studied highly toxic O-alkyl alkylphosphonothionofluoridates by electron ionization mass spectra is proposed. The method is based on the use of generalized spectral images of four taxonomic groups of this class, subjected to control under the Convention on the Prohibition of Chemical Weapons. Generalized spectral images were found by analyzing the revealed regularities of fragmentation of these compounds. The advantage of the proposed method is that the assignment of the test substance to one of the class groups and to the class as a whole is a quick automated standard procedure used in the NIST information retrieval system.
Chemical structure elucidation of gas chromatographic artifact of synthetic cannabinoid N-(1-carbamoyl-2-methylpropyl)-1-(cyclohexylmethyl)-1H-indazol-3-carboxamide by means of high resolution mass spectrometry
T13N4
V.A. Shevyrin
Synthetic cannabinoids are the most popular psychoactive compounds within illegal market. In a course of gas chromatographic determination, some synthetic cannabinoids undergo chemical transformations due to their thermal interaction with chromatographic system. The present paper is devoted to structure elucidation of gas chromatographic artifact formed from synthetic cannabinoid N-(1-carbamoyl-2-methylpropyl)-1-(cyclohexylmethyl)-1H-indazol-3-carboxamide as a result of dehydratation of its terminal carbamoyl moiety. Structure of the artifact was determined by means of high resolution mass spectrometry.
Prediction of electron ionization mass spectra of О-alkyl methylfluorothionophosphonates
T13N1
Yu.I. Morozik, A.V. Dudkin2*, Yu.V. Tкachuk, I.V. Rybal’chenko, R.V. Khatymov3
Determination of structural features of o-alkyl-s-2-(n, n-dialkylamino) ethylalkylthiophosphonates from their electron ionization mass spectra
T12N4
A.G. Terentyev, Yu.I. Morozik, I.V. Rybal’chenko,
A.V. Dudkin, A.O. Smirnov, G.V. Galyaev Читать полностью
