METHOD FOR IMPROVING QUALITY OF ANNOTATION OF LIPID FEATURES RELATING TO INDIVIDUAL LIPID CLASSES USING INFORMATION ON DELAY TIME IN MASS SPECTROMETER Russian patent published in 2021 - IPC G16H10/40 G01N30/72 G01N30/02 

FIELD: medicine.

SUBSTANCE: invention relates to medicine. Disclosed is a method of analyzing data on the content of lipid classes of interest in a sample based on mass spectrometric analysis with liquid chromatography, including obtaining liquid chromatography data with mass spectrometry of the analyzed sample, processing the spectra to come up with tables with the intensities of lipid features and their mass-per-charge values and retention time, determination of the lattice model, search for the optimal lattice by selecting the optimal set of parameters, the formation of annotations using the optimal lattice where all features that fall within the predicted time within a predetermined error are considered annotated. The annotation results should be summarized in a table. Each lipid feature should be matched with each lipid name.

EFFECT: invention provides increase in quality of annotation of lipid features in terms of mass-per-charge values and delay time.

1 cl, 1 dwg