Advanced quantitative metabolomics software

The Chenomx Metabolite Reference Libraries are developed from thousands of reference spectra obtained through NMR analysis. The Reference Libraries are available from pH 4 through 9 and NMR field strengths from 400 through 800.

Additional Metabolite Reference Libraries have been created from the Human Metabolome Database (HMDB.ca) and are also available for download (Chenomx cannot certify these entries, but they can be used for ID purposes). 

Chenomx NMR Analysis Software functions by 'fitting' the Metabolite Reference Library to the appropriate signals within the experimental spectrum. The software automatically adjusts the Reference Library to reflect the sample and acquisition conditions (pH, NMR field strength, spectra line width) and allows the used to adjust peak intensity and location for fine-tuned concentration values.

After the experimental signal has been fit, the spectrum's residual line is exposed. The profiling software will compare more compounds from the Metabolite Reference Library to isolate and identify the remaining signals.

Chenomx Processor converts various spectrum formats into the Chenomx file format, including Agilent, Bruker, JEOL, JCAMP-DX, Mestrelab, and NMRPipe. It also provides many tools to process your spectra including:

• Phase Correction
• Baseline Correction
• Shim Correction
• Water Region Deletion
• CSI Calibration
• pH Calibration

Chenomx Profiler is used to identify compounds and quantify their concentrations based on data in an NMR spectrum. Key features include:

• Comprehensive pH sensitive reference compounds
• Computer assisted metabolite assignment and fitting
• Spectral binning
• Spectral overlays
• Extensive Data Exports

 Chenomx Library Manager allows you to create and manage Compound Sets for use in Profiler. Compound Sets allow you to:

• Customize a list of compounds for a specific biofluid
• Filter and narrow your list of interesting compounds
• Manage your own custom compounds

Chenomx Compound Builder lets you create your own powerful mathematical models of custom NMR compounds. It includes a number of tools to make this task easier, such as:

• Automatic cluster fit and optimization
• pH curve modelling
• Equation based peak parameters

Chenomx Spin Simulator is a powerful tool for creating and manipulating simulations of compound spin systems. Use Chenomx Spin Simulator to:

• See your simulation update in real time
• Determine the coupling relationships between nuclei
• Calculate j-coupling constants between nuclei

Chenomx features data exporting functionality suitable for use in your research and publications.

Data exports to excel format, image export for publications, saving of profiling results as templates for other projects and more.

New Reporting Software from Chenomx » We are pleased to announce the release of DiscoverM, software for statistical analysis and reporting of data for Chenomx NMR Suite data. This software has been developed together with researchers at the University of Alberta and is available at no extra charge. Chenomx users who are licensed to use Chenomx NMR Suite version 8.4. will be able to export spectral results from project files to DiscoverM.  Please refer to https://www.chenomx.com/software/discoverm/ for more detail.

New Export to DiscoverM Feature » We've added an Export to DiscoverM feature to Profiler. This feature will export concentrations from a group of files in Profiler to be used in our new statistical analysis and reporting software, DiscoverM.

Improved Bruker Processing » We've improved our processing of Bruker FIDs to significantly reduce "smile" effects at the edges of the processed spectrum.

Improved All User Licensing » We've simplified the process of licensing Chenomx NMR Suite for all users of a computer on macOS and Linux.

Numerous Updates and Fixes » We've updated our Java environment to the latest version of Java 9 and fixed numerous small issues.