METHOD OF IDENTIFYING SUBSTANCES USING MASS SPECTROMETER Russian patent published in 2020 - IPC G01N30/72 H01J49/26 

FIELD: chemistry.

SUBSTANCE: group of inventions relates to identification of chemical compounds using a chromatography-mass spectrometer. Disclosed is a method of identifying a chemical compound, involving the following steps: introducing a chemical compound dissolved in a polar solvent into a chromatograph, after leaving the chromatograph column, the compound is fed into a ionisation electrospray source integrated with the chromatograph; electric voltage is supplied to the needle by spraying the solution of the chemical compound into the spray of charged drops for ionisation, wherein the charged drops formed by the chemical compound fall into one of the outputs of the heated transition tee forming a T-shaped connection with the vacuum portion of the mass spectrometer and with the chamber containing the deuterating agent; determining the molecular weight of the chemical compound, as well as the weight of its fragments under a given fragmentation mode in a mass spectrometer; said steps are repeated using a defined chemical compound modified by isotopic exchange of oxygen atoms; molecular weight of chemical compound modified with isotope of ¹⁸O of oxygen atom, as well as weight of its fragments at given fragmentation mode in mass spectrometer; repeating said steps and heating space of adapter T-pipe to temperature of 200–400 °C, creating in it an atmosphere saturated with deuterating agent, determining the molecular weight of the deuterated chemical compound, as well as the weight of its fragments under a given fragmentation mode in a mass spectrometer; chemical compound is identified using the obtained mass values by comparing said values with corresponding values from a database of chemical compounds. Also disclosed is a system for implementing said method.

EFFECT: group of inventions increases reliability, efficiency and universality of identifying unknown chemical compounds.

5 cl, 5 dwg, 1 tbl, 2 ex