Bruker TargetScreener

Importance of the Topic

The simultaneous screening and quantitation of a large number of target compounds across diverse matrices is critical in fields such as toxicology, food safety, environmental monitoring, forensic analysis and doping control. High‐resolution accurate mass (HRAM) instrumentation coupled with robust databases and intuitive software enables laboratories to rapidly detect trace levels of known targets, perform retrospective analyses and adapt workflows to emerging threats.

Objectives and Study Overview

This application note presents Bruker’s TargetScreener solution—an out‐of‐the‐box UHPLC-QTOF platform for qualitative screening and multi-target quantitation. Key aims include:

• Implementing full‐scan MS and data‐independent broadband CID (bbCID) MS/MS acquisition
• Leveraging a curated database of over 3 000 compounds for confident identification
• Providing streamlined software tools (TASQ) for rapid data processing and reporting
• Supporting routine workflows and retrospective discovery without re-analysis

Methodology and Instrumentation

The core TargetScreener workflow consists of:

• UHPLC separation using the Elute system, optimized columns, mobile phases and QC standards
• UHR QTOF mass spectrometer alternating Full Scan MS and bbCID MS/MS (no precursor isolation) for comprehensive data collection
• TASQ software for automated extraction of extracted ion chromatograms (EIC), peak checking, scoring by mass accuracy, retention time, diagnostic fragment ions and isotopic pattern
• An expanding, high‐quality database with annotated qualifier ions (up to ten per target), true isotopic patterns (TIP™) and retention times

Main Results and Discussion

Validation studies demonstrated compliance with SANTE/11813/2017 guidelines in challenging matrices (e.g., leek, orange) with retention time shifts ≤0.1 min and mass errors <1 mDa (<200 Da) or ≤5 ppm (≥200 Da). A food-safety proficiency test on spinach homogenate correctly identified and quantified 15 pesticides at regulatory levels. Retrospective analyses were illustrated by identification of new psychoactive substance U-47700 post-hoc and environmental contaminants in river water using complementary MetaboScape software for unknown discovery.

Benefits and Practical Applications

TargetScreener offers:

• High sensitivity and dynamic range for trace‐level detection
• Comprehensive screening in one run with simultaneous quantitation
• Unrestricted retrospective analysis of full MS and MS/MS data
• Flexible client-server architecture for multi‐user access and LIMS integration
• Adaptable workflows for pesticide residues, veterinary drugs, drugs of abuse, environmental pollutants, toxins and more

Future Trends and Potential Applications

Ongoing expansion of the target database and integration of GC-APCI II extends scope to volatile and nonpolar analytes including POPs and dioxins. Enhanced statistical and annotation tools in MetaboScape will support true unknown discovery in complex sample sets. The trend towards comprehensive high-throughput HRMS screening will continue to address emerging contaminants and regulatory demands across interdisciplinary laboratories.

Conclusion

Bruker’s TargetScreener brings together advanced UHPLC-QTOF instrumentation, a curated multi-target database and powerful TASQ software to meet the rigorous needs of modern screening and quantitation workflows. Its unbiased full‐scan plus bbCID approach ensures high confidence in both targeted assays and retrospective investigations, enabling laboratories to deliver reliable results today and adapt swiftly to tomorrow’s analytical challenges.

Reference

No additional references were provided in the original document.