Easy-to-use software helps identify unknown compounds and extracts high-confidence understanding from complex mass spectra

Scientists working in metabolomics, pharmaceuticals, food safety, and environmental and forensic science can now use a fully integrated software toolkit to transform complex, unknown mass spectra generated from small molecule analysis into actionable data.

The new Thermo Scientific Compound Discoverer 3.0 software is an integrated set of libraries, databases and statistical analysis tools linked in customizable workflows. The software processes the information-rich data generated from high-resolution accurate-mass (HRAM) Orbitrap mass spectrometers and transforms it into meaningful results. The software is easy to use and designed to require minimal training or expertise. Thermo Fisher Scientific showcased the new software during the 66th American Society for Mass Spectrometry (ASMS) Conference, held June 3-7, in San Diego.

• A fully integrated, untargeted stable isotope flux workflow and customizable pathway tool
• Identification of unknowns through the use of MS/MS libraries and online chemical databases
• Elucidating structures by annotating spectra peaks, designed to enable the quick visualization and interpretation of complex data
• Customizable workflows designed to reduce processing time, transforming mass spectral data into results with great speed
• Finding real differences in data through built-in, user-friendly statistical chart visualization and heatmap tools
• Tailored reporting that facilitates the sharing of data across multiple formats, or its transfer to other informatics solutions, that can save time and help maximize data potential

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