Liquid chromatograph Toxtyper™

laboratorycoupled to a mass spectrometer

Overview
TargetScreener HR is a turnkey targeted screening and quantitation workflow built for use with Bruker QTOF mass spectrometers. It enables simultaneous detection and reporting of thousands of compounds in diverse matrices including food, water, saliva, urine, serum and environmental samples. The solution combines curated high‑resolution mass databases, validated methods, columns and integrated software for routine and retrospective analysis.

Highlights

• Comprehensive: Screen several thousand compounds in a single injection, covering drugs, pesticides, toxins and environmental contaminants.
• Confident identification: Uses mass accuracy, retention time, diagnostic fragment ions and observed isotopic patterns for multi‑dimensional confirmation.
• Deep data: Acquisition strategy captures rich MS and MS/MS information to support retrospective mining and non‑targeted discovery.

Key Features

• Turnkey screening solution combining Bruker QTOF instrumentation, curated high‑resolution databases (thousands of compounds) and integrated software workflows.
• Broadband CID (bbCID) acquisition that continuously yields high‑resolution accurate‑mass precursor ions, true isotope pattern intensities and fragment qualifier ions throughout the run.
• Out‑of‑the‑box workflows, validated methods and columns enabling routine screening and quantitative reporting.

Data Acquisition & Identification Strategy
The QTOF cycles rapidly between low collision energy (TOF‑MS) and elevated collision energy (bbCID MS/MS) to collect precursor and fragment ion data in a single seamless analysis. The database contains high‑resolution monoisotopic precursor masses, retention time entries, up to ten diagnostic qualifier ions (bbCID fragments and in‑source fragments), adduct and isomer information to maximize identification confidence.

Intelligent Data Review
Screening and quantitation are processed with TASQ® (Target Analysis for Screening and Quantitation) software using exception‑based review algorithms. Confirmation relies on four dimensions:

• Exact mass of parent ion or adduct
• Retention time
• Isotopic pattern fidelity
• Exact mass of fragment qualifier ions

Benefits
Within a typical ~20‑minute run the system acquires full MS and MS/MS data continuously, enabling routine screening and retrospective interrogation for newly added compounds without re‑injection. The curated large database and multi‑dimensional confirmation reduce false positives/negatives while delivering sensitive quantitative results suitable for regulatory, forensic and clinical use.

Version 4.0 Enhancements

• Flexible use of targeted and non‑targeted workflows in routine and research environments.
• Non‑targeted data acquisition and retrospective mining to identify unexpected or novel compounds.

Adaptability & Applications
TargetScreener HR supports both LC and GC separations and is compatible with UHPLC‑QTOF and GC‑APCI‑QTOF workflows. Typical applications include forensic toxicology, clinical/biological fluid screening, food and water contaminant monitoring (including MRL compliance), environmental surveillance and NPS detection. Users can add new compounds to the HR‑MS database via standardized protocols to future‑proof retrospective analysis.

Technical specifications

• Platform: Designed for use with Bruker QTOF mass spectrometers
• Data acquisition mode: Broadband CID (bbCID) with continuous collection of high‑resolution MS and MS/MS data
• Confirmation criteria: mass accuracy, retention time, isotopic pattern fidelity, fragment qualifier ions
• Database size: highly curated databases (general >2,800 compounds; forensic >2,000 entries); water analysis DB ≈ 400 entries
• Analysis time: typical injection‑to‑injection run time ≈ 20 minutes
• Software: TASQ® for screening and quantitation with exception‑based review algorithms
• Workflows: targeted, non‑targeted (discovery) and retrospective data mining
• Supported separations: LC (UHPLC‑QTOF) and GC (GC‑APCI‑QTOF)