TraceFinder Acquisition Quick Reference Guide - Quan

Importance of the topic

The TraceFinder 4.1 Acquisition Mode is a critical component for modern analytical laboratories employing LC-MS and MS/MS technologies. It provides a structured interface to define, schedule, and manage complex batch sequences, ensuring high throughput, data consistency, and compliance with QA/QC requirements.

Objectives and overview of the guide

This Quick Reference Guide aims to summarize the key steps and workflows within TraceFinder 4.1 Acquisition Mode. It covers opening the mode, selecting or creating batches, defining sample lists, configuring reports, submitting runs, and using the Quick Acquisition feature.

Methodology and instrumentation used

The guide details interactive software procedures rather than experimental protocols. Key components include:

• Thermo Fisher Scientific TraceFinder™ 4.1 software for data acquisition and processing.
• Integrated Xcalibur™ sequence (.sld) support for sample import/export.
• TSQ™ mass spectrometer control and timed selected reaction monitoring (TSRM) updates.
• Autosampler and multiplexing channels managed through TraceFinder’s configuration console.
• Optional integration with qualitative browsers and NIST library for identification workflows.

Main outcomes and discussion

The Quick Reference highlights several core functionalities:

• Batch Management: Create new batches or templates for quantitation, target screening, or unknown screening; select existing prepared batches; reinject samples from completed runs.
• Sample List Definition: Add, insert, import (CSV/XML/SLD) or remove samples; assign sample types (matrix blanks, calibration standards, QC standards, unknowns); specify vial positions, injection volumes, and levels.
• Report Configuration: Choose output formats (print, PDF, CSV, Excel) and edit report titles; apply copy-down shortcuts across report options.
• Submission Controls: Define device states (On/Standby/Off), set startup and shutdown methods, extend or apply calibration (.calx) files, and select acquisition and processing steps (peak detection, quantitation, identification, retention time alignment).
• Quick Acquisition: Launch sample acquisition from any application mode, assemble or edit sequences on the fly, access qualitative exploration and library searches, and submit selected or full sequences.

Benefits and practical applications

TraceFinder’s Acquisition Mode delivers tangible advantages:

• Streamlined batch workflows reduce manual intervention and risk of errors.
• Flexible sample and report management supports diverse analytical methods.
• Automated device control ensures readiness and consistent instrument performance.
• Integration with calibration and quality systems maintains data integrity and compliance.

Future trends and potential applications

Advances likely to enhance acquisition mode capabilities include:

• Cloud-based data storage and cross-laboratory method sharing.
• Machine learning algorithms to optimize run sequences and predict maintenance needs.
• Tighter integration with LIMS and electronic lab notebooks for end-to-end traceability.
• Expanded multiplexing and parallel processing for ultra-high throughput analyses.

Conclusion

TraceFinder 4.1 Acquisition Mode provides a robust framework for designing, executing, and managing LC-MS batch acquisitions. Its intuitive interface, comprehensive sample controls, and flexible reporting tools make it indispensable for research, development, and QA/QC laboratories seeking to maximize productivity and data quality.

Reference

Thermo Fisher Scientific Inc. TraceFinder Acquisition Quick Reference Guide, Revision A, 2016.