AutoRIX™

AutoRIX: Revolutionizing Retention Index Calibration in GC/MS

The Challenge of Impure Calibrations

Accurate compound identification in GC/MS relies not only on conventional library search, but also on precise Retention Index (RI) calibration. However, achieving a clean calibration run, free from interfering peaks and background interference, can be challenging. This is particularly true with sampling techniques like Solid-Phase Microextraction (SPME) or Large Volume Injection (LVI), which often introduce carryover and impurities. Traditional algorithms struggled with this, potentially misassigning standards peaks and compromising calibration accuracy.  The alternative is the costly and time consuming manual peak assignments.

Introducing AutoRIX

AutoRIX, a groundbreaking feature in GC/ID release 5.1, offers a robust and intelligent solution to RI calibration challenges. It combines library searching with a patented algorithm to accurately identify and assign RI standard peaks, even in the presence of impurities or complex analytical conditions.

How AutoRIX Works

  • Library Search and Peak Elimination: AutoRIX initiates a library search on all detected peaks in the RI calibration, effectively eliminating those that are not n-alkanes.
  • Prediction of Heavier Alkanes: For heavier n-alkane peaks, where traditional library search will falter, AutoRIX employs a predictive algorithm. This algorithm leverages elution times and relative intensities to accurately identify these challenging calibration peaks.
  • Handling Non-Consecutive Alkanes: While not the ideal scenario, AutoRIX accommodates RI standards that lack consecutive carbon numbers, showcasing its adaptability.
  • Exclusion of Solvent Peaks: Samples containing n-alkane solvents, like pentane or hexane, can distort RI values. AutoRIX allows for the seamless exclusion of these peaks, ensuring calibration integrity.
  • Identification of Additional Alkanes: AutoRIX goes beyond expectations by potentially identifying additional n-alkanes present in the RI standard, even if they weren’t initially specified.
  • Verification and Editing: The RI Editor empowers users to easily verify, view, and, if necessary, edit the alkane assignments made by AutoRIX, offering control and flexibility.

Benefits of AutoRIX

  • Enhanced Accuracy and Reliability: AutoRIX significantly improves the accuracy and reliability of RI calibrations, even in challenging scenarios with impurities or complex samples.
  • Time and Cost Savings: By eliminating the need for pristine calibrations and reducing the risk of misidentification, AutoRIX saves valuable time and resources.
  • Improved Confidence in Compound Identification: Accurate RI calibration is fundamental for confident compound identification. AutoRIX ensures this accuracy, leading to more reliable results.
  • User-Friendly Interface: The intuitive RI Editor allows for easy verification and editing of alkane assignments, making AutoRIX accessible to users of all levels.

AutoRIX Brochure

AutoRIX also allows the use on non-alkane standards, just enter in the RI values and CAS numbers of compounds in your calibration run.

AutoRIX also allows the use on non-alkane standards, just enter in the RI values and CAS numbers of compounds in your calibration run.

Conclusion

AutoRIX represents a significant advancement in GC/MS analysis. By overcoming the challenges of impure calibrations, scientists are empowered to achieve more accurate and reliable compound identification. This translates to increased confidence in results, streamlined workflows, and ultimately, more impactful scientific discoveries.

AutoRIX and Beyond: Empowering GC/ID 5.1 for Enhanced Compound Identification

The release of GC/ID version 5.1 introduces a suite of powerful features designed to elevate the accuracy, efficiency, and user experience of GC/MS analysis. At the forefront of these advancements is AutoRIX, a revolutionary technology that redefines Retention Index (RI) calibration.

AutoRIX: The Intelligent RI Calibration Solution

The accuracy of compound identification in GC/MS hinges on not only library search, but precise RI calibration. However, achieving a clean RI calibration, free from interfering peaks, can be a persistent challenge. AutoRIX tackles this challenge head-on, employing a sophisticated blend of library searching and a patented algorithm to accurately identify and assign RI standard peaks, even in the face of impurities, background bleed, or solvent masking.

Key Features and Benefits of AutoRIX

  • Unmatched Accuracy and Reliability:AutoRIX significantly enhances the accuracy and reliability of RI calibrations, even in challenging scenarios with impurities, background interference, or strong solvent interference.
  • Time and Cost Efficiency:AutoRIX saves valuable time and resources by eliminating the need for pristine calibrations and reducing the risk of peak misidentification.
  • Boosted Confidence in Compound Identification:Accurate RI calibration is fundamental for confident compound identification. AutoRIX ensures this accuracy, leading to more reliable results.
  • User-Friendly Interface:The intuitive RI Editor allows for easy verification and editing of alkane assignments, if necessary, making AutoRIX accessible to users of all levels.
  • Handling Real-World Challenges:AutoRIX excels in handling non-consecutive alkanes in RI standards and allows for the exclusion of solvent peaks, addressing common challenges in GC/MS analysis.

Beyond AutoRIX: Additional GC/ID 5.1 Features

  • Enables non-n-alkane standards for RI Calibrations: Running a validation standard that could be used for automatic RI calibration? No problem with AutoRIX.
  • Manual Peak Editing:The new manual peak editor allows users with the ability to override automatic peak picking, adjust baselines, and modify spectral averaging regions, offering greater control over data analysis.
  • Enhanced User Interface:GC/ID 5.1 introduces an improved user interface experience, simplifying finding and setting of key parameters.
  • Targeted Analysis:The ability to mark and filter target compounds streamlines workflows and focuses analysis on compounds of interest.
  • User Library Expansion:Users can now seamlessly add spectra and RI data from their runs directly to a NIST User Library, facilitating the creation of custom libraries for specialized applications.
  • Performance and Stability Improvements:GC/ID 5.1 is a 64-bit application, resulting in faster operation (up to 70%) and enhanced stability.

AutoRIX in Detail

AutoRIX’s patented algorithm combines the power of predicting elution times for heavier n-alkanes with predictions for the relative retention times and intensities of RI standards. This enables the automatic assignment of the correct carbon numbers to peaks in the RI standard, even in the presence of column bleed, interferences, or poor signal-to-noise ratios.

Furthermore, AutoRIX intelligently handles scenarios where n-alkane standards lack consecutive carbon numbers. While this is not generally recommended, AutoRIX can still accurately identify RI standard peaks, showcasing its adaptability to diverse calibration standards.

Conclusion

AutoRIX, along with the other enhancements in GC/ID 5.1, represents a significant leap forward in GC/MS analysis. By addressing the challenges of RI calibration and providing a suite of user-centric features, GC/ID 5.1 empowers scientists to achieve more accurate, efficient, and confident compound identification. This translates to streamlined workflows, optimized resource utilization, and, ultimately, more impactful scientific discoveries.