Thermo Scientific Mass Frontier 8.0 mass spectrometry software

Thursday, 08 November, 2018 | Supplied by: Thermo Fisher Scientific

Pharmaceutical scientists are now able to overcome challenges associated with the identification and characterisation of small molecules and their fragments with Thermo Scientific Mass Frontier 8.0 software, which quickly translates complex data into actionable, sharable knowledge.

The software enables analysts to rapidly deconvolute and search information-rich, MSn mass spectrometric data produced during the identification and structural characterisation of small-molecule unknown compounds and their fragments. Through its powerful algorithms and fully curated knowledge databases of spectral and fragmentation data that covers 95% of all published fragmentation pathways, the software is designed to accelerate small-molecule characterisation.

The software enables scientists to go from complex data to actionable, sharable insights by: making unknowns known through searching deconvoluted components against mzCloud, a comprehensive mass-spectral database; providing access to a fragmentation library of more than 52,000 schemes, all of which are curated from peer-reviewed scientific papers; offering access to the Metabolika biological pathway database, providing 370 curated biochemical pathways with annotated reactions and corresponding metadata for various organisms; and constructing, storing and managing spectral libraries using the Data Manager software, providing the ability to share this knowledge across a network or organisation.

In combination with the Thermo Scientific Orbitrap ID-X Tribrid Mass Spectrometer supporting the Thermo Scientific AquireX intelligent MSn data acquisition strategy, the software can be used to capture low-abundance analytes through streamlined data analysis and mass spectral prediction tools. This eliminates the labour-intensive and time-consuming steps analysts face when identifying small molecules and their respective fragments using traditional solutions, providing insights, understanding and confidence when turning data into actionable knowledge.

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