Analytical Software Solutions Reveal Valuable Data Insights in Real Time

Thermo Fisher software suite delivers enhanced performance, usability and connectivity

2 Jun 2019
Charlie Carter
Life Sciences Editor

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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Thermo Scientific™ Q Exactive™ GC Orbitrap™ GC-MS/MS System

Thermo Fisher Scientific

The Thermo Scientific™ Q Exactive™ GC system is the first-ever combination of high resolution gas chromatography with high-resolution/accurate-mass (HR/AM) Orbitrap detection for the most comprehensive sample characterization. This easy-to-use system provides the most comprehensive characterization of samples in a single analysis for the highest confidence in compound discovery, identification, and quantitation. Building upon the flexible modularity of the Thermo Scientific™ TRACE™ 1300 Series GC, including user-exchangeable injectors and detectors, the Q Exactive GC system has the quantitative power of a GC triple quadrupole MS combined with the high precision, full scan high-resolution/accurate-mass capability that only Orbitrap technology can offer.   Key Features: Advanced quadrupole technology (AQT) for high transmission of selected masses Resolving power up to 120,000 at m/z 200 Part-per-trillion-level sensitivity Thermo Scientific™ Extractabrite™ ion source for robust, rugged electron impact (EI) and chemical ionization (CI) performance Curved linear C-trap for precise ion injection HCD collision cell for higher energy collisional dissociation provides MS/MS ion characterization Intelligent identification software elucidates the nature of each injected sample. Applications: Untargeted and targeted metabolomics Food and beverage Industrial analyses Environmental Pharmaceutical Clinical and toxicology

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Thermo Scientific™ Orbitrap Fusion™ Lumos™ Tribrid™ Mass Spectrometer

Thermo Fisher Scientific

Test new limits of detection, characterization and quantitation with the latest Tribrid™ mass spectrometer. The Thermo Scientific™ Orbitrap Fusion™ Lumos™ Tribrid™ Mass Spectrometer is designed to expand performance in advanced proteomics, biopharma and metabolomics applications, including quantitation using isobaric tags, low level PTM analysis, data independent acquisition (DIA), and top down proteomics. The new instrument features enhanced sensitivity resulting in improved analyte detection, characterization and quantitation, enabling scientists to perform more comprehensive sample analyses faster and with better accuracy than ever before.   Novel Orbitrap Fusion Lumos MS Features: Novel high-sensitivity API interface combines a High Capacity Transfer Tube and an Electrodynamic Ion Funnel for increased ion flux and lower limits of detection Advanced Active Beam Guide prevents neutrals and high velocity clusters from entering the resolving quadrupole Advanced Quadrupole Technology combines high selectivity and efficiency of transfer for selected ions symmetrically across the isolation window Advanced Vacuum Technology improves transmission of high molecular weight ions to the Orbitrap analyzer Novel ETD HD—high dynamic range ETD provides significantly increased fragment ion coverage Established Tribrid MS Features: Tribrid architecture — includes quadrupole mass filter, linear ion trap and Orbitrap mass analyzers Ultrahigh resolving power up to 500,000 FWHM, with isotopic fidelity up to 240,000 FWHM at m/z 200 Acquisition rates of up to 20 Hz for both Orbitrap and linear ion trap MSn analyses Full parallelization of MS and MSn analyses with intelligent ADAPT™ (All Dynamically Available Parallelizable Time) technology Synchronous Precursor Selection (SPS) for MS and MSn experiments significantly increases the number of peptides and proteins identified and improves quantitative accuracy when using isobaric mass tags Flexibility of fragmentation — CID, HCD and optional ETD and EThcD available at any stage of MSn with detection in either the Orbitrap or linear ion trap detector enables detailed structure determination of metabolites, glycans and other small molecules Universal Method provides maximal peptide identifications without method optimization for samples of unknown concentration, reducing sample and instrument time requirements for routine peptide identifi cation experiments Intuitive and flexible drag-and-drop user interface simplifies method development and enables unique and complex workflows

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Analytical Software Solutions Reveal Valuable Data Insights in Real Time