MRMQuant

MRMQuant automates targeted metabolomic quantitation from high-throughput liquid chromatography-tandem mass spectrometry multiple reaction monitoring (MRM) data.

Key Features:

• Dynamic Signal Smoothing: Reduces noise in MRM chromatographic signals to improve peak detection accuracy.
• Automatic Deconvolution of Coeluted Peaks: Resolves overlapping chromatographic peaks without manual intervention.
• Absolute Quantitation: Calculates metabolite concentrations using standard curves and/or internal standards.
• Batch-Effect Correction: Corrects systematic technical variation across multiple sample batches.
• Visualized Inspection and Correction: Enables users to review and adjust quantitation results as needed.
• Multi-Sample Corrections: Applies corrections across multiple samples simultaneously.

Scientific Applications:

• Targeted Metabolomics: Quantifies specific metabolites from large-scale LC-MS/MS MRM datasets with minimal human intervention.
• High-Throughput Metabolite Quantification: Supports accurate and consistent metabolite measurement for subsequent statistical and biological analyses.

Methodology:

MRMQuant processes high-throughput liquid chromatography-tandem mass spectrometry MRM data through dynamic signal smoothing, automatic deconvolution of coeluted peaks, and absolute quantitation via standard curves and/or internal standards, with batch-effect correction applied across multiple samples.