Figure 2
From: MetaboMiner – semi-automated identification of metabolites from 2D NMR spectra of complex biofluids
MetaboMiner flowchart. The query peaks obtained from an automatic peak-picking program are first processed to remove streaks and other artefacts. The cleaned peak list is then scanned for the presence of peak patterns of compounds in a spectral reference library corresponding to the biofluid that has been identified by the user. Spectral images can be used to further refine the search result.