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Mass Spectrometry Facility

Untargeted Metabolomics

Untargeted Metabolomics profiler picture

Metabolomics projects seek to catalog and quantify small molecules from a biological source.  The sample handling steps will determine which classes of molecules will be analyzed.

We create lists of accurate mass/retention time features from LC-ESI-TOF runs using Agilent's Mass Hunter algorithm and can compare multiple runs using XCMS to find differences between sample sets.

The 3 ppm mass accuracy of ESI-TOF data can help in determining elemental composition of features of interest.  We are collaborating with the Madison Metabolomics Consortium to create a small molecule database useful in identifying features.