MRMQuant: Automated\nMRM Data Quantitation for Large-Scale\nTargeted Metabolomics Analysis

Multiple reaction monitoring (MRM) is a powerful and\npopular technique\nused for metabolite quantification in targeted metabolomics. Accurate\nand consistent quantitation of metabolites from the MRM data is essential\nfor subsequent analyses. Here, we developed an automated tool, MRMQuant,\nfor targeted metabolomic quantitation using high-throughput liquid\nchromatography-tandem mass spectrometry MRM data to provide users\nwith an easy-to-use tool for accurate MRM data quantitation with minimal\nhuman intervention. This tool has many user-friendly functions and\nfeatures to inspect and correct the quantitation results as required.\nMRMQuant possesses the following features to ensure accurate quantitation:\n(1) dynamic signal smoothing, (2) automatic deconvolution of coeluted\npeaks, (3) absolute quantitation via standard curves and/or internal\nstandards, (4) visualized inspection and correction, (5) corrections\napplicable to multiple samples, and (6) batch-effect correction.