LC-MS Data Acquisition Software

Acquiring high-quality data doesn’t need to be a challenge

Acquire the highest quality data possible to unlock the information, knowledge, and value in your samples with Thermo Scientific LC-MS Data Acquisition software.

No matter what LC, GC, IC or MS system you are using, or the complexity of the experiment you wish to perform – acquiring your data should be simple. From flexible solutions for research-based applications to routine and compliance-ready solutions or open access needs, we have you covered.

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Learn more about LC-MS Data Acquisition software

Being able to set up and control your LC-MS instrumentation, from quadrupole to high-resolution, accurate-mass mass spectrometers (HRAM-MS), should be simple, flexible and ensure that you can acquire the highest quality data possible so you can make confident, informed decisions. Learn more about the options to control your Thermo Scientific mass spectrometers based upon your requirements.

Control, process and explore your high-quality data acquired from Thermo Scientific LC-MS systems and related instrumentation, including third-party LC inlets. Thermo Scientific Xcalibur software provides complete method setup, data acquisition, processing and reporting capabilities with tools such as Freestyle and Quan Browser, as well as the advanced data acquisition algorithm AcquireX.

Providing access to all of your installed applications from small-molecule, application-specific data processing software such as Compound Discoverer to large-moleculeProteome Discoverer, as well as a host of cloud-based applications, never be without the latest tools or update notifications.

Key benefits of Xcalibur software

All your applications in one placeComprehensive, but instinctive method editingEasily interrogate your high-quality dataGet the latest updates and information
With a comprehensive portfolio of application-specific packages, access all your installed applications from customizable landing pages, including Cloud-based applications.Acquiring the highest-quality data is critical to ensuring its transformation into actionable knowledge. Powerful method-editing capabilities through drag-and-drop method creation, makes it easy to obtain deep insights into your data.Whether you want to perform quick quantification of several compounds, or more deeply interrogate your raw data, the latest visualization and analysis tools allow you to see what’s really there.From new and updated data acquisition methods to installed application updates, you’ll never miss out when new and enabling capabilities are deployed.
Xcalibur landing page screenshot

The customizable landing page shows all your available data acquisition, interrogation, and processing tools (note that some applications, such as FreeStyle, are included with Xcalibur whereas others depend upon your instrumentation or purchased applications). With notifications when the latest data acquisition method templates are available, as well as product updates, you’ll never miss out on being able to acquire and interrogate your data, delivering insights and allowing you to focus on your science.

Xcalibur acquisition methods screenshot

A consistent, unified architecture between the latest Thermo Scientific Tribrid mass spectrometer, the Thermo Scientific Orbitrap Eclipse Tribrid mass spectrometer and Thermo Scientific triple quadrupole mass spectrometers means that users of all experience levels can acquire high-quality data with minimal training. Acquisition methods can be rapidly created with drag-and-drop capabilities, or you can choose from multiple default templates covering the most popular experiments, allowing walk-up access and data acquisition.

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Chromeleon CDS software

Control your laboratory regardless of vendor, with extensible, compliance-ready software covering a broad range of instrumentation as well as multiple Thermo Scientific ion chromatography (IC), liquid chromatography (LC) and gas chromatography (GC) quadrupole and HRAM-MS systems: standalone, over a network or enterprise.

With routine screening and quantitative capabilities to intact mass analysis and multi-attribute method (MAM) as well as regulated bioanalysis, do more with less.

eWorkflow procedures allow you to create complete analyses, from data acquisition to processing and reporting, which means simplified training and system operation, as well as confident and consistent results across your organization.

Key benefits of Chromeleon CDS

Regulatory compliance for your MS analysesMulti-instrument control across your enterpriseProductivity and efficiencyContinuous evolution to meet market demands
Requirements for acquiring and processing data under compliant conditions are increasing in many application areas. Thermo Scientific Chromeleon Chromatography Data System (CDS) streamlines multiple MS workflows while keeping up with evolving compliance regulations (e.g., GLP/GMP and 21 CFR part 11 regulations).Streamlining instrument control within your laboratory, or across multiple laboratories globally has never been easier with reliable control for over 525 different instrument modules from over 20 LC and GC vendors, as well as control of multiple Thermo Scientific triple quadrupole MS and high-resolution MS systems.Drive productivity through consistent control of multiple laboratory instruments, or provide open access capabilities, or lab management software. From method creation to reporting, these capabilities can be conveniently bundled into an eWorkflow so anyone can access, run, and report your assays.With the drive to utilize MS within QC and Lot Release for complex Biotherapeutics, the ability to perform peptide mapping (Multi-Attribute Method) and intact mass deconvolution, or regulated bioanalysis further upstream, this trusted CDS environment futureproofs your laboratory.
Chromeleon CDS customizable views screenshot

With customizable views, it is fast and simple to create MS quantitative analyses. Easy visualization and quantitation of all components is achieved using intelligent MS quan, which automates the processing of all components based upon their quantitation ions. Spectra from chromatographic peaks can be easily displayed and compared, through handy thumbnail spectra, or in more detail in the dedicated plots.

Chromeleon CDS compliance-ready environment screenshot

From the multi-attribute method and targeted peptide mapping with new peak detection to intact mass analysis and deconvolution within a compliance-ready environment, Chromeleon CDS provides laboratories wishing to implement HRAM-MS within regulated environments with the necessary tools. Seamless integration with discovery-focused Thermo Scientific BioPharma Finder software enables easy method development and set-up before transfer into Chromeleon CDS. Additionally, Chromeleon CDS interfaces with both Thermo Fisher SampleManager LIMS, the world's most widely deployed LIMS, and Thermo Fisher Watson LIMS for bioanalytical workflow management, as used by the top 20 global pharma and biopharma organizations.

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TraceFinder software

Increase productivity by acquiring and processing your targeted screening and routine quantitative data from LC and GC quadrupole and HRAM-MS systems.

With configuration for environmental-, clinical-, food safety-, forensics- and pharma/biopharma-specific nomenclature, you can rapidly and flexibly develop confident routine quantitative or targeted screening workflows that are accessible to all with minimal training requirements.

Offering user log in with controlled privileges, combined with the ability to tailor what you see on-screen, method and reporting templates, and highly visualized data review; TraceFinder software allows you to rapidly acquire, process, review and report your high-throughput quantitative or targeted screening workflows with accuracy, precision, and confidence.

Key benefits of TraceFinder software

Complete configurabilityQuantify more, in less timeAccess the latest mass spectral library informationManage your data; don’t let your data manage you

In high-throughput laboratories, time spent learning new software means less time for analyzing samples.

With market-specific terminology, user login for different operator levels, and configurable views to aid data processing and reporting, spend more time generating results.

Easily configurable methods, and the ability to select pre-configured methods and reporting templates, combined with real-time processing and data evaluation means that your results are rapidly available for review and reporting whether they are from quadrupole or high-resolution data.

Targeted methods can be rapidly populated with target compounds from compound databases.

When screening or requiring additional confirmation, or to identify unknowns, you can access the latest mzCloud mass spectral library contents through mzVault as well as utilize the NIST mass spectral library.

Your data is your knowledge, so it has inherent value.

Being able to acquire and store data across your network means that you can safeguard this knowledge and manage data more easily.

TraceFinder software targeted screening screenshot

With targeted screening, confidence in your results is key. The ability for multiple forms of confirmation from spectral library matching, fragment ion confirmation through to isotopic pattern confirmation (as shown above), and highly visual data review capabilities not only affords rapid data review and reporting, but assurance that you have matched your targets.

TraceFinder software data review screenshot

Simplify review based upon your needs with a data review that is highly visual and flexible based upon sample or compound views, using filters and groups, which can also be carried forwards to reporting.

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For assays where exhaustive sample profiling is required to ensure each compound has sufficient, high-quality accurate-mass fragmentation information (MSn) for confident compound identification, AcquireX data acquisition allows you to automate this traditionally tedious process.

Pre-defined method templates are available to use straight away, or to facilitate rapid method development. AcquireX experiments provide you with the means to capture MSn fragmentation spectra on the components of interest, and not background ions or matrix components.

Collect more meaningful data, and not just more data.

Key benefits of AcquireX software

Collect more meaningful data, not just more dataFully automated, all-inclusive data acquisitionIncreased productivity and more confident identifications
Typical LC-MSn workflows compromise between spectral quality, specificity, and coverage and require extensive manual input. Break these dependencies and capture high-quality MSn spectral data on every compound in your sample, automatically.From background exclusion to the inclusion of sample compounds, automated include/exclude list updates and iterative sample re-injections ensure exhaustive MSn profiling without the need for manual interrogation.Compared to 'traditional' DDA, both the number of compounds with in-depth fragmentation spectra and the confidence in spectral matches increases, when using AcquireX with Thermo Scientific Compound Discoverer software or Thermo Scientific Mass Frontier software with mzCloud is increased.
AcquireX MSn analysis

Through analysis of sample background (a blank), an exclusion list is automatically created, followed by a full scan MS analysis to create an inclusion list of precursor ions. These inclusion and exclusion lists are then used to dynamically analyze your sample.

The lists are automatically updated as MSn data is acquired for each compound, ensuring data quality through reduced redundancy in the total number of fragmentation spectra per compound.

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