By employing UltraPerformance LC (UPLC) in combination with high sensitivity MS and automated method scouting, methods capable of detecting and resolving most of the impurities can be developed in a day or two. Enhanced resolution and sensitivity facilitates the confirmation of known or expected impurities. Now, the bottleneck becomes the elucidation of the unknown components that are observed.
Impurities originating from the drug substance most commonly originate during the synthetic process or degradation. In this application note, we will apply software tools to process a UPLC/MSE dataset for characterization of an impurity profile related to a pharmaceutical active drug substance.
Data was processed using MetaboLynx, an application manager within MassLynx Software that enables automatic identification of sample components using exact mass measurement and elemental composition data. The automated structure elucidation tool, MassFragment, was employed to rationalize and identify fragment ion structures.