Combining the Best of Both Worlds with Semi-Targeted Metabolomics

摘要

Metabolomics, using Liquid Chromatography-Mass Spectrometry (LC-MS), is one of the most powerful ways to deliver molecular profiles from patient samples. The clear annotation of metabolites enables scientists to accurately characterize biomarkers for disease diagnosis, prognosis and treatment, while quantification of metabolites enables validation of biomarker discoveries and provides benchmarks for normal metabolite levels (e.g., normal and abnormal sugar concentrations in the blood). The study of metabolites usually falls under one of two main analytical chemistry strategies: targeted or untargeted analysis. Targeted analysis provides accurate quantitation and annotation of a predefined group of metabolites, while untargeted analysis gives an overview of changes in metabolite relative concentrations across known and unknown metabolites in a sample. Both approaches have their own strengths and drawbacks when using LC-MS, so researchers are often faced with a choice: a low accuracy overview of total molecular changes, or a detailed yet blinkered snapshot of a select group of metabolites.