Software tool for metabolomics using mass spectrometry data of metabolites.
LC-MS data processing can be performed, including peak detection, peak picking, and retention time alignment. By carrying out this processing, it is possible to identify metabolites using MS and MS/MS data in batch mode. In addition to the quantitative analysis of identified metabolites, it also facilitates differential analysis of metabolites in biological samples.
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basic information
[Support Platform] Windows: Vista/Windows 7/Windows 8/Windows 10 [Recommended System Requirements] CPU: Intel Core i5 / i7 RAM: 16GB or more HDD Free Space: 500GB or more Screen Resolution: 1024 x 768 or more
Price information
Prices may vary depending on commercial or academic use, so please feel free to contact us.
Delivery Time
P3
Applications/Examples of results
- Robust relational metabolite database - Support for multiple file formats - LC-MS and MS/MS data processing - High-throughput MS and MS/MS data analysis - Differential analysis of metabolites in biological samples - Quantitative metabolomics - Annotation of mass spectra using identified metabolites [Presentation Poster] http://www.premierbiosoft.com/citations/simmet.html
Detailed information
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Typical graphical user interface of SimMet You can view the LC-MS peak list on a single workbench. It displays a list of lipids identified within the retention time, lipid structures at the selected retention time, and the chromatogram of the sample.
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Plot of Chromatograms For both MS and MS/MS levels, TIC (Total Ion Chromatogram), XIC (Extracted Ion Chromatogram), and BPC (Base Peak Chromatogram) are displayed. You can zoom in on the chromatogram plot to highlight important peaks.
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Metabolite Differential Analysis of Biological Samples This visually represents the relationship between biological samples and metabolites. Principal Component Analysis (PCA) generates two 2D plots (score plot and loading plot). The 2D plots are displayed along with confidence ellipses (correlation loadings and Hotelling's T2 ellipses) to identify expected biomarkers.
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Company information
Our company was established in 2005 and is engaged in the sale of software and databases related to biotechnology and chemicals, the construction and consulting of drug discovery informatics systems, and consulting and data contract analysis for bio-related businesses. Our mission is to provide researchers involved in bio-related studies at universities and public research institutions, as well as those engaged in new drug development at pharmaceutical companies and medical professionals working in hospitals, with useful information, technology, and services at the optimal timing they require for their research.