The use of chemometric methods of data analysis for the identification and typification of petroleum and petroleum products


T.A. Bolotnik, Yu.V. Timchenko, I.V. Plyushchenko, V.V. Levkina,
A.V. Pirogov, A.D. Smolenkov, M.V. Popik, O.A. Shpigun

A method for identifying straits of rocket kerosene (RG-1 and T-1 brands) and various types of hydrocarbon fuels in the soil (aviation fuel ТС-1 and diesel fuel) has been developed. The proposed variant of identification is based on the preliminary separation of the main components by gas chromatography and their mass spectrometric detection, and processing of the obtained data with chemometric methods of analysis (principal component analysis and projection on latent structures with discriminant analysis) using the programs «MZmine2», «iMet-Q» and «MetaboAnalyst». The opportunity of application of the developed approach for the typification of saturated fractions of oils from different origins is illustrated.

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Determination of total saturated and total aromatics in oils and oil products by mass spectrometry and gas chromatography/mass spectrometry with electron ionization


E.S. Brodsky, A.A. Shelepchikov, G.A. Kalinkevich, E.Ya Mir-Kadyrova

A method of total saturated and total aromatics determination in oils and oil products by electron ionization mass spectra is presented. The contribution of saturated and aromatic hydrocarbons to the total ion current is found by solving a system of linear equations with coefficients that take stock a mutual interference of mass spectra of saturated and aromatic hydrocarbons.

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Возможности системы высокоскоростной газовой хроматографии

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Трехмерные ионные масс-хроматограммы групп углеводородов и гетероатомных соединений нефти

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