Compounding insights

Sample to structure; pathways to insight

You have large amounts of data from full scan MS systems from which you have to efficiently extract high-confidence understanding without need for an expert user. Introducing the Thermo Scientific Compound Discoverer 3.0 software, which offers a full suite of tools to address your challenges with small molecule data analysis. The software streamlines unknown identification, determination of real differences between samples, and elucidation of biological pathways.

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Compound Discoverer SW - Small Molecule Research Data Analysis

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Key benefits
Reduce the number of mouse clicks Know your unknowns Find real differences in your sample sets Understand biological pathways
Take control of your data processing with custom workflows, flexible visualization, grouping tools, and interactively linked displays. You can also transfer your results with customizable reporting to share with others. Identify your unknowns more rapidly with spectral library searching against both the online mzCloud™ spectral library and in-house Thermo Scientific mzVault spectral libraries. Quickly find real statistical differences between sample sets. See trends in components across a study or identify the key components of interest between multiple sample groups using interactively linked displays. Perform metabolic flux experiments, view pathways using Thermo Scientific Metabolika, KEGG, and BioCyc databases, and map detected compounds and flux information to pathways.

See how it works

Explore Compound Discoverer 3.0 software, the complete small molecule identification and characterization solution.


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Calculate statistical differences between multiple sample sets. Identify impurities, metabolites and degradation products in complex samples.

Analyze the metabolic fate and structural composition of food impurities and degradation products. Detect environmental contaminants in soil and water.

Identify related components in biological samples and determine their structures to quickly isolate metabolites of interest.

Detect unknown metabolites of drugs of abuse and structurally related designer drugs.

* For Forensic Use Only


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Visit this resource page to access powerful resources including application notes, posters,etc, how to videos and  expert tips on using Compound Discoverer.


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We’re here to help you maximize your free trial of Compound Discoverer software. Contact us if you would like more information on how to use it, or if you’d like to have a representative contact you.

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