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Pharmaceutical identifier confirmation via DART-TOF.

Jacob L Easter¹, Robert R Steiner¹

¹Virginia Department of Forensic Science, Richmond, VA 23219, USA.

Forensic Science International

|April 29, 2014

Summary

Direct Analysis in Real Time ion source coupled with accurate mass time-of-flight mass spectrometry (DART-TOF) offers faster pharmaceutical analysis in forensic labs. This method simplifies sample prep and reduces analysis time compared to traditional GC/MS, improving efficiency.

Keywords:

Controlled substances DART-TOF Mass spectrometry Pharmaceutical Principal component analysis (PCA)

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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.