Fragmentation Trees for Automated de novo Interpretation of Impure Electron Ionization Spectra from Gas Chromatographic Complex Mixture Analysis—Chemical Deconvolution

We propose a workflow including an automated fast parallel derivatization of amines, phenols, aldehydes, alcohols and ketones followed by QUAL/QUANT SWATH/MS analysis for broad metabolite coverage.

Characterizing cumulative exposure to air pollutant mixtures is a critical step in understanding disease development. The Fresh Air wristband was tested as a personal exposure assessment tool with promising results.

This work evaluated the performance of 2D LC variant using a QToF setup instead of a triple quadrupole mass spectrometer for the analysis of drug of abuse in urine targeting low and sub ppb level.