Chenomx NMR Suite

Category Metabolomics/Metabonomics>Metabolic Profiling/Analysis Systems/Tools

Abstract Chenomx NMR Suite is an integrated set of tools for identifying and quantifying metabolites in Nuclear Magnetic Resonance (NMR) spectra.

The manufacturer combines state-of-the-art spectroscopic technology for identifying metabolic markers with advanced algorithms for analyzing biological samples.

Chenomx NMR Suite helps scientists correlate metabolic responses with pathology, toxicity, drug efficacy, and genetics.

Chenomx NMR Suite features/capabilities include:

1) Chenomx Profiler --

Chenomx Profiler allows you to identify compounds and quantify their concentrations based on data in an NMR spectrum.

Sophisticated computer-assisted fitting routines based on a compound library of unique spectral signatures help you accomplish in minutes what would have taken hours or days using manual analysis methods.

2) Chenomx Processor --

Chenomx Processor allows you to convert various spectrum formats into the Chenomx file format, including:

Chenomx Processor can help you determine and set various properties for the spectrum, such as chemical shift index (CSI) parameters and spectrum pH, as well as apply more traditional spectrum processing, including phasing, baseline correction and reference deconvolution.

3) Chenomx Library Manager --

Chenomx Library Manager allows you to create and manage Compound Sets for use in the Profiler. Compound Sets can contain any compound signatures in your library, including those from the Chenomx library as well as those that you create with the Compound Builder.

You can tailor a Compound Set to a specific project. For example, in a research project, you may only be interested in examining the concentrations of five (5) particular compounds for a drug study; you can use the Library Manager to create a Compound Set including only those compounds.

4) Chenomx Compound Builder --

Chenomx Compound Builder allows you to add custom compounds to your compound library by creating a signature that models the compound of interest. You can create signatures for compounds that are Not present in the standard Chenomx Metabolite Library, and use them to analyze spectra in the Profiler.

5) Chenomx Spin Simulator --

Chenomx Spin Simulator is a simple yet advanced tool for creating simulations of compounds by defining spin systems and coupling relationships based on reference spectra. You can use these simulations as starting points for creating your own compound signatures based on the fundamentals of NMR theory.

Targeted Profiling --

Chenomx’s patented Targeted Profiling technique addresses one of the more challenging aspects of NMR-based metabolomics: identifying and quantifying metabolites.

Targeted Profiling allows identifying compounds in a complex biofluid mixture rapidly and accurately. This direct analysis approach differs from previously published methods, which depend on binned spectral areas.

Targeted profiling relies instead on libraries of compounds signatures modeled to behave like the pure spectra of the individual compounds under comparable experimental conditions.

The underlying spectral libraries are collected at a variety of pH conditions to account for variations among sets of samples. Analysis of samples using target profiling directly yields both identity and quantity of individual compounds in a single operation.

What's New in Chenomx NMR Suite 7.0 --

Built-in Reference Compounds - Profiler now installs the Chenomx reference compounds (previously the Chenomx Compound Library) automatically as needed. Also, reference compounds at all frequencies can easily be added to your library using Library Manager, with No additional files needed.

Reference Compound Sets - Reference Compound Sets contain any Chenomx reference compounds appearing in your library. Library Manager automatically creates or deletes Reference Compound Sets for you (one per spectrometer frequency) whenever you add or remove compounds from your library. Profiler automatically selects the relevant Reference Compound Set for you whenever you open a spectrum file.

Single-Version Compound Library - Profiler and Library Manager now use a single-version compound library. Any time you add a new compound to the library, it automatically replaces any previous version of that compound that may already exist.

Clearer Cluster Navigator Colors - Profiler and Compound Builder now use colors in cluster navigators more predictably. There are only two (2) cluster colors: black and green. When you mouse over a cluster, descriptive text explains what the cluster’s color means.

In Profiler, green clusters are ‘matched’, while black clusters are Not matched. In Compound Builder, green clusters are pH sensitive, while black clusters are Not.

Remember Window Maximized State - All modules in Chenomx NMR Suite now properly remember their ‘maximized’ state. If a module window is maximized (filling the entire screen) when you close the module, it will still be maximized when you next open the module.

Compound Status Tooltips - Compound status indicators in the Compound Table in Profiler and Library Manager now have tool-tips. You can simply mouse over a compound’s status indicator to read the available status messages for that compound.

Improved ‘Quit All’ for OS X - OS X users can close all open modules of Chenomx NMR Suite using a single menu command. The command will now be cancelled with an informative message if you have unsaved work or open dialogs in any currently open module. You can use the command successfully only when all of your work is saved, and No dialogs are open.

Chenomx Profiler --

Single Compound Autofit - Chenomx Profiler can now automatically suggest concentrations and transforms for a selected compound that will allow it to fit the current spectrum.

Autofit Markers - When you use the Single Compound Autofit, clusters that were autofit are marked with lines next to their adjustments triangles. If the autofit also adjusted the height (concentration) of the compound, a similar line marker appears next to the height adjustment triangle.

If you change the position of any autofit clusters or change the automatically determined concentration after performing an autofit, the corresponding markers disappear.

Automatic Update of Profiled Data - When you open a spectrum file, Profiler updates all profiled compounds in that spectrum file to use the version of each compound that is currently available in your library. Updated compounds are indicated in the Compound Table with a blue compound status indicator and detailed message.

Improved Spectral Binning - Profiler now includes an improved spectral binning wizard to help make binning easier to understand. You can also reload binning settings from a previous session, or specify an input file containing your own custom bin definitions.

Finally, spectral binning output(s) now follow a standard format, simplifying the task of importing the output into third-party spreadsheet or statistics software.

Visual Indicator for Transforms - When you transform clusters, changing their chemical shift, Profiler now marks the distance you have moved the cluster from its starting position. If you move the cluster outside its transform window, the indicator turns red.

Chenomx Library Manager --

Extended Removal Options - When you delete a compound set, you have the option to remove the associated compounds from your library at the same time. Similarly, when you delete a compound from a compound set, you have the option to also remove it from your library.

System Requirements

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Manufacturer Web Site Chenomx NMR Suite

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G6G Abstract Number 20656

G6G Manufacturer Number 104303