SimMet is a comprehensive software suite for mass spectrometry metabolite data analysis that facilitates LC-MS data processing, metabolite identification, quantification and statistical analysis.
Overview of the Protocol
SimMet processes LC-MS data for peak detection, peak picking and retention time alignment. It enables users to identify metabolites using MS and MS/MS data in batch mode. It enables quantitative data analysis of identified metabolites as well as the differential analysis of metabolites across biological samples.
Single Platform for All Your Analysis
SimMet's comprehensive platform eliminates the need for managing and using multiple tools for metabolite research. All the metabolite data analysis, from LC-MS data processing and subsequent peak identification to statistical analyses such as principal component analysis is available in a single workspace. Loading and score plot coupled with confidence ellipses (correlation loadings and Hotelling's T2 ellipses) are supported to help researchers in understanding the relationship between metabolites and samples. Metabolite response curves are also provided to display the change in abundance of metabolites in different samples.
Manage Large Data Easily
SimMet is engineered to handle massive volumes of data effectively, which are typical of mass spectrometry based metabolomics work flows. Users can load half a million scans in a single project as well as export analysis results of 50,000 scans at a time. All standard vendor formats are supported to seamlessly integrate qualitative and quantitative work flow solutions.