Characterizing Small Molecules in Biological Extracts using IntelliXtract Data Processing on High Resolution Accurate Mass Time-of-Flight Data

In this application note plasma samples from lean, fatty, and obese Zucker rats were prepared and analyzed using LC-high resolution mass spectrometry (HRT). Data were imported to ACD/MS Manager v12.01 software using a new custom developed import filter for HRT data. Molecular formulae could be proposed and the ACD/IntelliXtract COMPARE function was used to process and compare relevant regions of the rat sample chromatograms. Fragmentation algorithms were used to look at in-source dissociation spectra acquired from yersinia samples.