MS2Analyte: Project 2 will develop a new data processing pipeline for untargeted mass spectrometry metabolomics data. This tool, termed MS2Analyte, is designed from the ground up to apply directly to chemical characterization for natural products mixtures. Using a unique combination of data processing and analyte identification modules, MS2Analyte is designed to accurately describe the chemical landscape for large sample sets, and to identify structural relationships between analytes in a given sample set. This free, open access tool will provide researchers with a fast, scalable tool for data processing of mass spectrometry data. It will accept data from all of the major instrument vendors in the standard open data formats mzML and mzXML.
