Differential Analysis in Screening Assays for Extractable and Leachable Compounds

The analysis of extractable and leachable (E&L) compounds presents challenges for data interpretation and compound identification. The interpretation of data for controls and samples is traditionally performed manually, and can be very time-consuming. Software-based data interpretation greatly alleviates this challenge. Mass Profiler Professional (MPP), a chemometric software application, performs differential analysis, and provides a means to readily visualize the

distribution of compounds across samples.

The identification of compounds encountered during E&L analysis using GC/MS with electron ionization (EI) requires a degree of specialized knowledge. The use of EI often results in a mass spectrum that does not contain a distinct molecular ion, and identification is dependent on matching characteristic fragmentation patterns. In E&L studies, fragmentation matching scores can be relatively poor, where compounds are present in minor concentrations or interfered by strong chemical background noise. Therefore, not all compounds may be identified unequivocally based on their fragmentation pattern alone. In this study, an Ophthalmic Drug Product (ODP) and its container closure system were analyzed using an accurate mass high resolution Agilent 7200 GC/Q-TOF system in both EI and chemical ionization (CI) modes.