M. Witting

Optimizing nanoLC-TIMS-TOF and lipidomics sample preparation for low volume of plasma

Lipidomics provides critical insights into disease mechanisms, biomarker discovery, and precision medicine, but conventional LC-MS workflows often require sample volumes that limit their application in minimally invasive studies. Here, we evaluated a nanoflow liquid chromatography workflow coupled with trapped ion mobi...

Times are changing but order matters: transferable prediction of small-molecule liquid chromatography retention times.

Liquid chromatography is a predominant technology for the separation of small molecules. Hundreds of retention time prediction models have been published over the past decades, yet truly transferable prediction (requiring no training data from the target chromatographic system) remains an open challenge. Unfortunately,...

Tandem Mass Spectral Databases and Their Use in Non-Targeted Metabolomics.