Study of the nettle (Urtica diоica) lignin by orbitrap mass spectrometry with atmospheric pressure photoionization

T16N1

I.I. Pikovskoi, D.S. Kosyakov, I.S.  Shavrina, N.V. Ul’yanovskii

The orbital ion trap high-resolution mass spectrometry method with atmospheric pressure acetone-doped photoionization was first used to characterize the structure of lignins of herbaceous plants using the example of nettle (Urtíca dióica) dioxane lignin. The obtained mass spectrum contains about 3,000 peaks of deprotonated molecules of lignin oligomers in the molecular mass range up to 1.6 kDa. The study of tandem mass spectra and the composition of monomers formed during the collision-induced dissociation of lignin macromolecules showed the special role of p-hydroxycinnamic acids in the formation of nettle lignin. Based on the results of tandem mass spectrometry, possible structures of nettle lignin oligomers, which are formed by the addition of guaiacyl- and syringylpropane units with their subsequent etherification with p-coumaric, ferulic and dihydroferulic acids, are proposed.

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Characterization of disinfection by-products in tap water of Arkhangelsk by liquid chromatography/high-resolution mass spectrometry

T14N4

D.S. Kosyakov, N.V. Ul’yanovskii, M.S. Popov, T.B. Latkin, A.T. Lebedev

Disinfection of drinking water with chlorine-containing reagents leads to the formation of a large number of disinfection by-products resulting from the chlorination of natural dissolved organic matter. High-performance liquid chromatography/high-resolution mass spectrometry with preliminary solid-phase concentration on a polymeric sorbent was used to study the component composition of halogen-containing disinfection by-products in the tap water in Arkhangelsk. Fourteen chlorinated and brominated organic compounds belonging to classes of halophenols, aromatic acids and carbonyl compounds, chlorine-substituted nitrogen-containing heterocyclic compounds have been found. Based on the analysis of MS/MS spectra data, the possible structures of detected disinfection by-products are proposed.

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Study of the products of oxidation of 1,1-dimethylhydrazine with nitrogen dioxide in aqueous solution by high resolution mass spectrometry

T14N3

N.V. Ul’yanovskii, D.S. Kosyakov, I.I. Pikovskoi, M.S. Popov

 

The products of interaction of 1,1-dimethylhydrazine with nitrogen dioxide in aqueous solution were characterized by high-resolution mass spectrometry with electrospray ionization. It was found that more than 200 compounds of CHO, CHN and CHNO classes are formed as a result of the reaction; the main component being extremely dangerous N-nitrosodimethylamine. Among the products of the transformation of 1,1-dimethylhydrazine, N-nitrosodibutylamine was identified for the first time. The obtained results are of importance for understanding the processes of transformation of rocket fuel in surface and ground waters in the places of falling spent rocket stages containing both propellant and oxidizer.

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Study of the products of alkaline decomposition of hydrolysis lignin by high resolution mass spectrometry with atmospheric pressure photoionization

T14N1

D.S. Kosyakov, E.V. Ipatova, S.M. Krutov, N.V. Ul’yanovskii, I.I. Pikovskoi

A method of high resolution mass spectrometry with acetone doped atmospheric pressure photoionization was used to study the products of alkaline solvolysis of hydrolysis lignin. It was found that the mass spectrum of hydrolysis lignin depolymerization products comprises about seven thousand peaks of oligomers containing up to 10 aromatic units with an average molecular weight of 150 Da. The calculation of the elemental compositions of all detectable oligomers and their visualization in van Krevelen coordinates allowed us to show that the studied sample is different from the native (virgin released) lignin due to the presence of fractions with a high oxygen content and highly unsaturated condensed structures, including polyaromatic hydrocarbons. To characterize the structural units of lignin oligomers an approach based on the collision induced dissociation of precursor ions in a broad m/z range was used.

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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.

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Application of high-performance liquid chromatography / high resolution mass spectrometry for investigation of sodium 2,3-disulfanyl- 1-propanesulfonate (unithiol) and products of its oxidation with hydrogen peroxide

T13N2

D.O. Kuleshov, T.E. Berezkina, Y. V. Russkikh, E. N. Chernova, Z. A. Zhakovskaya,
S.V. Masyukevich, L.N. Gall, N.R. Gall

High-performance liquid chromatography combined with high resolution mass spectrometry has been used to study soft oxidation of sodium 2,3-disulfanyl-1-propanesulfonate (unithiol) with hydrogen peroxide; reference peaks were identified for initial substance and reaction products. The possibility to use high-performance liquid chromatography with high resolution mass spectrometry for Sokolovsky thiol-disulphide test has been shown.

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Non-target screening of markers of synthetic cannabinoids in urine using HPLC-MS/MS

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T12N1

Non-target screening of markers of synthetic cannabinoids in urine
using HPLC-MS/MS

A.V. Labutin, A.Z. Temerdashev

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Application of tandem electrospray/ionization mass spectrometry for identification of icariin in plant materials

T11N4

Application of tandem electrospray/ionization mass spectrometry
for identification of icariin in plant materials

O.A. Shevlyakova, A.A. Ihalaynen, A.M. Antokhin, V.F. Taranchenko, V.M. Goncharov,
A.V. Aksenov, D.A. Mitrofanov, I.A. Rodin, O.A. Shpigun

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Изучение фрагментации глюкуронида тестостерона и сульфата тестостерона

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Detection and identification of trace amounts of chlorine organic substances

T11N1

Detection and identification of trace amounts of chlorine organic
substances by gas chromatography-high-resolution mass spectrometry

A.А. Shelepchikov*, E.S. Brodsky

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