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Discovery based metabolomics in which LC-MS or LC-MS/MS is used to determine differences in abundance of metabolites in a given sample set (control vs experimental for example).  Identification of the potential biomarkers can performed by high-resolution mass spectrometry on the Bruker Impact II QqTOF, using 4-D omic analysis on the Bruker timsTOF Pro2, or using unit mass MSn analysis on the LTQ-XL.   Metaboscape 2025 is used for the bioinformatics, including spectral library matching and basic statistical anlaysis.

Spectra showing the complexity of lipids
Image showing representative direct infusion mass
Image showing representative statistical analysis
Figure showing lipid changes in experimental variables

Quantitative metabolomics study of a complex lipid sample.  Either a shotgun approach (left) or LC-MS (right) based approach are shown here.