Analytical Software Solutions Reveal Valuable Data Insights in Real Time

New enhancements to a suite of analytical software solutions offer access to data insights with the speed and confidence laboratories require in pharmaceutical, food, environmental, industrial, research, academic, clinical and forensic settings. The latest software aids scientists in making informed decisions about their research and routine testing activities with greater ease-of-use, cloud connectivity and improved performance over previous software releases.

Thermo Fisher Scientific is showcasing its latest software solutions during the 67th American Society for Mass Spectrometry (ASMS) Conference on Mass Spectrometry and Allied Topics, being held June 2–6, in the International Ballroom ABCD at the Omni CNN Center Hotel, Atlanta, Georgia.

"The increasing quantity and complexity of data generated by analytical workflows during research and routine applications present our life sciences customers with significant challenges in extracting confident insights within shorter timelines," said David Leitham, vice president, chromatography and mass spectrometry software, Thermo Fisher Scientific. "Through the continued development of the Thermo Scientific software suite, along with our cloud-ready instrumentation, laboratories can benefit from real-time access to their valuable data."

Supporting regulatory compliance from bioanalysis to biopharma and beyond

Suitable for discovery to quality control and lot-release, Thermo Scientific Chromeleon Chromatography Data System (CDS) software has extended its integration with mass spectrometry (MS) instrumentation with additional support for small and large molecule analyses through enhanced performance with Thermo Scientific TSQ Quadrupole mass spectrometers and high-resolution Thermo Scientific Q Exactive Hybrid Quadrupole-Orbitrap mass spectrometers. The latest update, Chromeleon CDS 7.2.10, brings support for multiple MS workflows and, building on the fundamental support already provided to manage analytical processes, enables faster data processing for compliant multi-attribute method (MAM) peptide mapping and intact mass analysis. In combination with the Thermo Scientific BioPharma Finder Software, Chromeleon CDS delivers support for compliant bioanalysis workflows.

Identify, interpret and quantify biopharmaceuticals and proteins in complex samples

New updates to Thermo Scientific BioPharma Finder Software allow users to confirm peptide identifications, determine unspecified differences with greater speed and confidence and easily visualize complex data. The updated software offers enhanced data management and sharing capabilities, combined with improved peak detection accuracy and post-translational modification quantitation, and greater connectivity to Chromeleon CDS software when compliant MAM peptide mapping and intact mass analyses are required. For in-depth proteomic studies requiring the identification and quantification of proteins in complex samples, the latest updates to Thermo Scientific Proteome Discoverer software provide improvements for peptide identification, PTM analysis, results visualization, XlinkX cross-link analysis and ProSightPD top down proteoform identification.

Enhanced connectivity and characterization for small molecule identification

Scientists performing research and routine applications in areas such as metabolomics, pharmaceutical research, toxicology, environmental analysis, food safety testing and industrial applications, in which the characterization and identification of small molecules pose a significant challenge, can now access mzCloud to help identify compounds. mzCloud is the largest high-resolution mass spectral fragmentation library, containing more than 17,000 compounds and nearly 5,000,000 high quality spectra. The integrated and updated combination of Thermo Scientific Compound Discoverer Software, Mass Frontier Software, mzCloud and mzVault libraries provide access to solutions that can identify unknown compounds and compare them to known compounds across multiple databases – whether connected to the cloud or offline.

Effective data acquisition, interrogation and storage

New updates to Thermo Scientific TraceFinder Software offer scientists quicker and easier access to important information from Thermo Scientific TSQ Quadrupole and Thermo Scientific Q Exactive Hybrid Quadrupole-Orbitrap mass spectrometer systems. The software enables fast data processing, updates to mzVault offline mass spectral library, a user-customizable interface and a new configuration that simplifies operation without a loss in functionality. Compound libraries, methods and results can now be acquired and stored anywhere on a local hard drive, as well as to network locations, which facilitates flexible, simple and secure data management. In addition, the latest Thermo Scientific Xcalibur software includes the NIST MSMS Spectral Libraries and MSMS Hybrid Search application – a powerful solution for identification of unknown small molecules and peptides.

Monitor your analyses, anywhere, anytime

Being able to monitor laboratory instrumentation with a smartphone or a web-browser using the Thermo Scientific Almanac Web-Based Application enables scientists to access mass spectrometers, from quadrupole to high-resolution Orbitrap and gas chromatography-Orbitrap systems, for verifying current analysis progress. Almanac allows users to be notified of sequence completion or acquisition issues, submit relevant instrument information to the Thermo Fisher Service team, and record system maintenance or other lab events, allowing users to see important and relevant information in one easy-to-access location.

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