Metabolomics approaches

NMRProcFlow is especially dedicated to metabolomics. The two major metabolomics approaches, namely metabolic fingerprinting and targeted metabolomics are taken into account. The workflow covers all steps from the spectral data up to the output data matrix

Metabolic Fingerprinting

The complex data are directly and initially used for global multivariate statistical analysis. Subsequently, metabolite features that distinguish sample classes are identified and then the structures of distinguishing metabolic features are established

Targeted Metabolomics

Quantitative approach wherein a set of known metabolites are quantitated. The identities of metabolites were initially established based on the available databases and using standard compounds. The identified metabolite peaks are then quantified based on internal or external reference compounds.