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Omics approach in plant analysis finds a wide range of different applications: from the botanic classification problems to the discovery of potential bioactive substances. Due to the peculiarities of plant raw materials, the metabolomics approach turns out to be most convenient for providing research. Like proteomics, metabolomics allows us to describe plant phenotype, but it is not complicated by difficult conditions of sample preparation and interpretation of raw data, which is more typical for other omics [1]. Our work is dedicated to the classification of brewing Humulus lupulus cultivars, according to its growth origin by using data, obtained during LC-HRMS profiling. Humulus lupulus has found wide applications in the food industry and medicine, there are more than a hundred cultivars been cultivated for the purposes of the beer industry nowadays. Such a wide variety inside one species makes hops a convenient object for untargeted metabolomics study algorithm development. The approach is demonstrated in our work could be easily used for the analyses of other species, including tasks of compounds with biological activity, classification, and quality control.