The LC/MS Walkup Solution from Agilent

Significance of the Topic

The rapid and accurate analysis of synthetic products is essential in early drug discovery, enabling chemists to confirm molecular identity, assess purity, and make timely decisions on compound progression. Simplified walk-up LC/MS systems reduce barriers for non-specialist users and accelerate the overall workflow.

Study Objectives and Overview

This overview presents Agilent MassHunter Walkup software and its integration with Analytical Studio Reviewer. The goal is to offer a user-friendly interface for sample submission, real-time queue monitoring, and automated reporting, all tied into high-throughput LC/MS instrumentation to support small molecule and protein analyses.

Methodology and Instrumentation

MassHunter Walkup is designed to leverage advanced LC/MS hardware in a networked environment. It supports:

• Agilent 1290 InfinityLab Rapid Resolution and UHPLC systems
• Agilent 6100 Series Single Quadrupole LC/MSD and 6500 Series Q-TOF
• Agilent 6230 Accurate-Mass LC/TOF
• High-throughput samplers: HTS/HTC PAL and CTC Analytics systems
• InfinityLab II preparative pumps and fraction collectors
• OpenLab Shared Services for centralized instrument and method management

Main Results and Discussion

Walk-up submission allows any networked workstation to queue samples with guided vial or plate placement. Users receive automated e-mail reports containing monoisotopic mass calculations, extracted ion chromatograms, mass error metrics, and purity estimates. Administrators can manage user access, sample queues, and method availability centrally. Integration with fraction collectors supports concurrent purification and analysis, maximizing lab throughput and enabling immediate fraction retrieval upon completion.

Benefits and Practical Applications

• Simplified operation for chemists with minimal MS expertise
• Centralized administration reduces configuration redundancy and streamlines workflow
• Automated notifications and reporting accelerate decision making
• High-throughput compatibility with large-capacity samplers and multi-instrument networks

Future Trends and Opportunities

Advances may include cloud-based remote monitoring and control, AI-driven data analysis for automated hit triage, expanded multi-omics support, and further integration of sample preparation robotics to form fully automated analytical pipelines.

Conclusion

Agilent MassHunter Walkup software, in combination with InfinityLab LC/MS systems and Analytical Studio Reviewer, provides a robust, high-throughput solution for compound confirmation and purification. This integrated approach enhances drug development efficiency by delivering reliable data quickly and simplifying laboratory operations.

Instrumentation Used

• Agilent 1290 InfinityLab LC
• Agilent 6230 LC/TOF
• Agilent 6100 Series LC/MSD
• Agilent 6500 Series Q-TOF
• CTC Analytics HTS/HTC PAL samplers
• InfinityLab II Preparative Pumps and Fraction Collectors

References

• Agilent Technologies. Agilent MassHunter Walkup Software Technical Overview; publication number 5990-6095EN, 2018
• Agilent Technologies. Agilent MassHunter Analytical Studio Reviewer; publication number 5990-6094EN