Targeted and Non-Targeted Screening for Drugs

PeakView® Software with the XIC Manager

Overview

The high resolution and accurate mass AB SCIEX TripleTOF™ 4600 LC/MS/MS system was used to screen for drugs from forensic equine urine, and to quantify drug compounds with excellent accuracy and high reproducibility. Fast Information Dependent Acquisition (IDA) MS/MS spectra were used to additionally confirm the identity of detected compounds based on mass spectral library searching. The acquired full scan MS and MS/MS data can further be used in a general unknown comparative screening workflow in which a sample-control comparison can be made for easy, fast and reliable identification of compounds present in the sample.

PeakView^® software with the XIC Manager add-in was used for targeted and non-targeted data processing. The XIC Manager manages large lists of compounds and performs extracted ion chromatogram (XIC) calculations, both targeted and non-targeted peak finding operations and library searching. The XIC Manager allows the ability to review results based upon retention times, accurate mass, isotopic pattern and MS/MS library searching. The PeakView^® software can further be used to aid in the formula and structural elucidation, elemental composition determination and fragmentation interpretation to confidently identify unknowns.