Compound Discoverer Software

Sample to structure; pathways to insight

You have large amounts of data from full scan mass spectrometry from which you have to efficiently extract high-confidence understanding without need for an expert user; introducing Thermo Scientific Compound Discoverer 3.0 software. This mass spectrometry data analysis software 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.


Key benefits of Compound Discoverer software
Reduce the number of mouse clicks Know your unknowns Find real differences in your sample sets Understand biological pathways
Take control of your mass spectrometry data analysis and 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 mass 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.

Watch video on how Compound Discoverer software works

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


How Compound Discoverer is used in various applications


Ordering guide for Compound Discoverer software


Delivering Confidence for Small Molecule Identification

In this white paper we address the challenges in small molecule identification with mass spectral libraries. mzCloud spectral libraries and mzVault software are designed to address the challenges of small molecule identification for routine and research applications.

How was the world's largest mass spectral fragmentation library, mzCloud, created?
When small molecule unknowns don't provide a spectral hit, how can we still identify them?
Assessment of organic contaminant burdens in house dust using HRAM-based non-targeted screening
Massively parallel estimation of uptake and excretion of serum metabolites in human cell lines
How Janssen utiliza Compound Discoverer to aid DMPK studies within their biotransformations group
From Environment to New Renewable Energy, how the Paul Scherrer Institut use Compound Discoverer
Nestle Research and Development: Untargeted screening of packaging contaminants in food

Connect your lab to drive more insights from your data

Connect your lab to drive more insights from your data

Small molecule characterization and identification clouding your decision making? Cloud-based technologies, including mass spectrometry analysis software, are becoming more prevalent in laboratories.


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