U.S. Department of Energy

Pacific Northwest National Laboratory

Metabolomics

PNNL PreProcessor

Ion mobility-mass spectrometry (IM-MS) provides an increasingly popular platform for analyzing complex samples due to its separation power and ability to differentiate structural isomers, which are difficult to resolve using conventional LC-MS sys

Area of Research: 
Informatics
Metabolomics
Proteomics,

Formularity

Formularity is software for assignment of low weight molecular formula from high-resolution mass spectra.

Area of Research: 
Metabolomics

MultiAlign

Aligns multiple LC-MS datasets to one another after which LC-MS features can be matched to a database of peptides (typically an AMT tag database)

Area of Research: 
Metabolomics
Proteomics,
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