Agilent’s NEW MassHunter Profinder - The Most Advanced Batch Feature Extraction Software for Metabolomics

Significance of the Topic

Metabolomics demands reliable, high-throughput feature extraction to uncover biological insights, support biomarker discovery, and ensure data integrity across diverse application areas such as drug development, food safety, and agricultural research.

Objectives and Study Overview

This webinar presents Agilent MassHunter Profinder, a free batch feature extraction tool tailored for metabolomics. It aims to combine untargeted and targeted analysis in a single workflow, reduce false positives and negatives, and integrate seamlessly with downstream data analysis and pathway mapping.

Methodology

• Three extraction algorithms:
  
  1. Batch Molecular Feature Extraction (MFE and recursive rMFE)
  2. Batch Recursive Feature Extraction (adding Find by Ion for missing features)
  3. Batch Targeted Feature Extraction (Find by Formula from CEF, CSV, or PCD/L databases)
• Recursive alignment of mass and retention time across multiple .d files to generate consensus spectra.
• Two-tier post-alignment filtering to remove noise and recover missing features before and after targeted finding.
• Visualization tools for compound-centric review: extracted ion chromatogram overlays and averaged spectra.

Použitá instrumentace

• Agilent liquid chromatography–time of flight (LC/TOF)
• Agilent liquid chromatography–quadrupole time of flight (LC/Q-TOF)
• Gas chromatography/mass spectrometry (GC/MS) platform (planned)

Main Results and Discussion

• One-shot workflow processes large sample cohorts quickly, reducing manual intervention.
• Recursive feature finding and alignment improve detection consistency and lower missing data rates.
• Compound-centric editing capabilities allow targeted curation and reevaluation of feature groups.
• Integration with Mass Profiler Professional enables downstream statistical analysis and pathway mapping.

Benefits and Practical Applications

• Applicable to basic and clinical research, food quality/adulterant testing, agricultural chemistry, toxicology, and synthetic biology.
• Automates peak detection and alignment, boosting lab productivity and reducing false discoveries.
• Enables accurate biomarker identification and robust QA/QC workflows.
• Available free to Mass Profiler Professional users via DVD or Agilent SubscribeNet.

Future Trends and Applications

• Expansion to additional instruments and vendor formats.
• Integration with advanced spectral libraries and machine learning for automated identification.
• Enhanced pathway analysis and MS/MS inclusion list generation for targeted follow-up studies.

Conclusion

Agilent MassHunter Profinder delivers a unified, recursive, and scalable solution for batch feature extraction in metabolomics, elevating data quality and workflow efficiency.