Metabolomics

Metabolomics

The systematic and large-scale study of the complete metabolite profile and its interactions

The metabolome was first defined as the quantitative complement of all low–molecular-weight molecules present in cells under a particular physiological or developmental state [Oliver et al., 1998; Goodacre et al., 2004]. 

In a more recent interpretation, the metabolome—consisting of metabolites typically below 1,500 Da—represents the comprehensive molecular profile shaped by genetics, environment, nutrition, the microbiome, disease, toxic exposures, infection, and inflammation [Castelli et al., 2021]. 

Accordingly, metabolomics, the systematic and large-scale study of the complete metabolite profile and its interactions with small and macromolecules, encompasses an extremely broad range of compounds originating from different biological kingdoms and environmental sources, characterized by vast structural and functional diversity. 

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Mass spectrometry (MS) remains the gold standard in metabolomics, particularly in untargeted approaches aimed at detecting and characterizing as many metabolites as possible in a sample. The combination of MS’s high selectivity and sensitivity with the extensive chemical diversity of the metabolome generates thousands of data points per sample, requiring tailored software solutions for efficient data processing and interpretation. 

To address this challenge, we developed MARS, a vendor-agnostic software platform for high-throughput LC–MS metabolomics data analysis, equipped with a graphical user interface to maximize user-friendliness.
With MARS, users can perform peak picking, data refinement and normalization, metabolite identification against multiple reference databases, quantification, and univariate/multivariate statistical modeling—all within a single, integrated solution. 

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