A simple, easy, and efficient way to process and review data for large methods using the MS Quan app within the new waters_connect™ software

Significance of the Topic

Comprehensive quantitation across multiple analytes and sample batches is critical for high-throughput laboratories. Traditional methods can be error prone and time consuming, impacting throughput and data integrity. Modern software solutions streamline acquisition, processing, and review, reducing manual intervention.

Objectives and Study Overview

This study presents the MS Quan application within the waters_connect software platform, aiming to demonstrate:

• Efficient generation of processing methods from acquired data
• Streamlined quantitative processing using exception focused review
• Enhanced batch monitoring and quality control

Methodology and Used Instrumentation

Waters_connect integrates several modules to support quantitative LC-MS/MS workflows:

• Acquisition Method Editor for defining chromatography and mass spectrometry parameters
• Sample Submission for batch setup
• LC-MS Toolkit for data management
• MS Quan for method generation, processing, and review

Methods optimized in the system console are transferred seamlessly into the software, enabling single-click generation of acquisition and processing methods.

Main Results and Discussion

The MS Quan app introduces an exception focused review workflow that filters injections and analytes based on user-defined criteria such as calibration correlation, residuals, QC checks, blank responses, internal standard performance, ion ratios, and retention time tolerances. A dashboard provides an immediate overview of batch health, highlighting anomalies for targeted intervention. Additional refinements include simultaneous display of chromatograms, isotope dilution, standard addition workflows, and trend plots for internal standards. Application of system suitability criteria and on-the-fly peak integration adjustments further accelerate data review.

Benefits and Practical Applications

Key advantages include:

• Up to fifty percent reduction in data review time using exception focused review
• Built-in standard addition and isotope dilution routines to accommodate challenging matrices
• Automated QC and system suitability evaluation to ensure data quality
• User-friendly dashboard for rapid decision making

Future Trends and Opportunities

Upcoming developments may integrate advanced AI-driven chromatogram interpretation, predictive maintenance alerts, and cloud-based collaboration. Expanded rule sets and customizable dashboards can further tailor workflows for diverse analytical challenges, supporting regulatory compliance and laboratory digitalization.

Conclusion

The waters_connect platform with MS Quan delivers a unified environment for rapid method creation, robust data processing, and efficient exception focused review. By automating key QC steps and providing intuitive batch-level insights, laboratories can significantly reduce manual workload and enhance result reliability.