Mass spectrometry-based untargeted metabolomics data analysis

Metabolomics is an emerging field of study in post-genomics, which aims at comprehensive analysis of small organic molecules in biological systems (Patti et al., 2012). Techniques of mass spectrometry coupled to liquid chromatography (LC–MS) stand out as dominant methods in metabolomic experiments (Dettmer et al., 2007).

Data preprocessing

Data processing

Data visualization

Classification/Clustering

Network analysis

Enrichment analysis

Integrative analysis

Unclassified tools