COMPASS PathwayScreener™

Providing a New Layer of Insight into Metabolomics. In addition to identifying potential biomarkers in non-targeted workflows, metabolomics researchers are often interested in also detecting significant changes in the abundance of known target compounds. Using Bruker's LC-QTOF instrument lines, both these approaches can be addressed using the same data set. Compass PathwayScreener enables mining the same full-scan high-resolution LC-MS data set used for an optional non-targeted metabolomics workflow in a pathway-driven targeted fashion. Compass PathwayScreener provides: - Higher throughput: • By performing targeted analysis on the same high resolution full scan MS data set used for a parallel non-targeted evaluation • By allowing multiple users access to the server at the same time. - Deeper insights: • By using sample batch processing and visualization options • By allowing retrospective data analysis with hypotheses for targeted data evaluation • By extending the analysis with added compounds of interest to the target database. - Reduced costs: • By guiding choice of reference standard purchase for tentatively identified compounds. - Simpler workflows: • By interactive target analyte confirmation with user definable confidence levels • By tailored data interfaces for statistical data evaluation and mapping results onto biochemical pathway maps. TECHNICAL DETAILS: • The growing number of detectable and identifiable substances increases the need for efficient data processing in metabolomics research • Observing significant changes in the abundance of unknowns is equally important to interpreting known target compounds • Metabolic pathways represent an important tool to structure existing biochemical knowledge, especially for targeted experiments • Enabling hypothesis driven targeted data evaluation, Compass PathwayScreener quickly turns Bruker LC-QTOF-MS data into knowledge. Given a start compound, the Compass PathwayScreener interrogates a pathway database to automatically generate a list of biochemically relevant compounds that can be searched for in complex QTOF LC-MS data sets: • Query formula or compound in KEGG* database • Select relevant pathways´• Select targets and perform screening• Review and refine data • Repeat as necessary • Export data and map to biochemical pathways • Form new hypothesis and design experiment accordingly. APPLICATIONS: • qTOF instruments: High performance targeted and non-targeted profiling • LC/GC QQQ: Performance and Reliability in an Easy-to-Use Platform • MetabolicProfiler: System solution MS+NMR • ProfileAnalysis: Non-targeted metabolomics.