Automatic Adjustment of Retention Times (AART) in GCMSsolution 2.5 - An excellent help for complex samples

Importance of the Topic

A reliable adjustment of retention times is critical for complex GC-MS analyses, where column aging or deliberate trimming can shift chromatographic profiles. Without timely correction, target compound identification and quantification may be compromised, affecting results in environmental monitoring, food safety, and industrial quality control.

Objectives and Study Overview

This application note introduces the Automatic Adjustment of Retention Times (AART) feature in GCMSsolution 2.5. The goal is to demonstrate how AART uses linear retention indices to recalibrate compound tables and time-dependent MS parameters automatically, ensuring consistent results even after column modifications.

Instrumentation Used

Shimadzu GC-MS platform running GCMSsolution 2.5 software

Methodology

AART relies on injecting an n-alkane standard to calculate linear retention indices (LRI) for calibration. After any column change, a fresh n-alkane run provides updated retention times. The software then recalculates each target compound’s retention time based on its LRI, preserving optimal separation conditions. Simultaneously, time-related MS settings—such as SIM windows and detector gain events—are updated to match the new schedule.

Main Results and Discussion

When analyzing a pesticide sample, trimming the column from 30 m to 28 m caused measurable retention shifts. AART automatically adjusted the method’s compound table to the new retention times. Comparison with manual corrections showed excellent agreement, underlining AART’s precision and reliability. Figure analyses confirmed that automation did not degrade separation efficiency or identification confidence.

Contributions and Practical Applications

• Maintains high separation efficiency by preserving ideal linear velocity settings.
• Eliminates manual retention time recalculation, reducing analyst workload.
• Ensures all time-based MS parameters are synchronized with adjusted chromatographic conditions.

Future Trends and Potential Applications

As software-driven automation gains traction, LRI-based recalibration may expand to other chromatographic techniques (e.g., GC×GC) and real-time method adaptation. Integration with artificial intelligence could enable predictive adjustments, further enhancing robustness in high-throughput laboratories.

Conclusion

The AART function in GCMSsolution 2.5 provides a fast, accurate solution for retention time recalibration after column modifications. By leveraging linear retention indices and automating method updates, it strengthens data consistency and workflow efficiency in complex GC-MS analyses.

References

[1] Shimadzu Application Note: Linear Retention Index Function (LRI) in GCMSsolution 2.4