Fragmentation patterns of ions (mass spectra), when acquired under the controlled conditions, become reproducible kinetic properties of these ions. These “fingerprint” patterns can serve to reliably re-identify these ions when generated in other experiments. We are developing methods for building and exploiting high-quality collections (libraries) of these spectra. This includes ions formed by electron ionization (common in GC/MS), and electrospray ionization/collision induced dissociation (common in LC/MS). Research opportunities cover a wide range of projects, such as development of ion fragmentation models for quality control and spectral prediction, building and using specific substance-based libraries for complete analysis of classes of mixtures (e.g., plasma, urine, standard reference materials), advanced algorithms for identification by spectrum matching, and using libraries to measure the reproducibility and reliability of analysis of complex mixtures in metabolomics and proteomics. This includes experimental and data analysis work and applies to virtually any application where ion fragmentation in a mass spectrometer is used to make compound identifications.

 

key words

Collision-induced dissociation; Energy transfer; Ion fragmentation; Mass spectra;

Citizenship:  Open to U.S. citizens

Level:  Open to Postdoctoral applicants