Table 1 Features of untargeted and targeted metabolomics approaches

From: To metabolomics and beyond: a technological portfolio to investigate cancer metabolism

Metabolomics

Untargeted

Targeted

Discovery strategy (hypothesis generating)

Validation strategy (hypothesis driven)

Global and comprehensive analysis

Subset analysis

High number of metabolites studied

Small number of metabolites

Correlated to database/libraries

Correlated to reference standards

Qualitative identification

Identification of metabolites known a priori

Relative quantification

Absolute quantification

Challenging data interpretation

Easy data analysis and interpretation

Samples preparation requires a global metabolites extraction

Samples preparation is metabolite-specific

Biomarker discovery

Biomarker validation

Global/untargeted screening

Pathway mapping targeted metabolomic profiling