Pharmaceutical identifier confirmation via DART-TOF

Area of Science:

• Forensic Chemistry
• Analytical Chemistry
• Mass Spectrometry

Background:

• Pharmaceutical analysis is a significant part of forensic casework.
• Traditional methods like gas chromatography/mass spectrometry (GC/MS) can be time-consuming.

Purpose of the Study:

• To evaluate the Direct Analysis in Real Time ion source coupled with accurate mass time-of-flight (DART-TOF) mass spectrometry for pharmaceutical identity confirmation.
• To assess the potential of DART-TOF to reduce analysis time and improve laboratory efficiency in forensic settings.

Main Methods:

• Utilized DART-TOF mass spectrometry for direct analysis of pharmaceutical samples.
• Compared DART-TOF spectral data against standard spectra.
• Employed collision-induced dissociation fragmentation, ion presence/absence, and abundance comparison for differentiating identical mass compounds.
• Applied principal component analysis (PCA) and linear discriminant analysis (LDA) for mixed drug spectra differentiation.
• Conducted mass assignment reproducibility and robustness tests.

Main Results:

• DART-TOF successfully confirmed pharmaceutical identities.
• Identical mass pharmaceuticals were effectively differentiated using fragmentation and spectral data analysis.
• PCA and LDA enabled differentiation of mixed drug spectra.
• Mass assignment demonstrated good reproducibility and robustness.

Conclusions:

• DART-TOF offers a faster and simpler alternative to GC/MS for pharmaceutical analysis in forensic laboratories.
• Implementation of DART-TOF can lead to decreased analysis times, enhanced laboratory efficiency, and simplified sample preparation.
• This method supports compliance with accepted analysis protocols while addressing challenges in laboratories with large backlogs.