NIST26 includes integrated processing tools for LC-MS/MS data, but there are situations where working directly from instrument vendor software can be faster and more practical. When only a few peaks need to be evaluated, when mzML conversion is inconvenient, or when nominal-mass data are involved, spectra can be transferred directly into NIST Library Search for identification. This workflow can streamline spectral searching while still providing access to NIST high-resolution and low-resolution libraries, public MS/MS resources, and flexible search settings.<h4>When does direct transfer from vendor software make sense?</h4>NIST26 provides integrated data processing in the Chromatogram tab, including workflows for deconvolution and library searching. In many cases, this is the most comprehensive way to process LC-MS/MS datasets.However, chromatogram-based processing generally requires conversion of the original vendor data into mzML, for example using ProteoWizard/MSConvert. If a chromatogram is relatively simple, deconvolution is unnecessary, and only a small number of peaks need to be investigated, converting and processing the entire file may add unnecessary steps.In these situations, it can be more efficient to select an MS/MS spectrum directly in the original vendor software and send it to NIST Library Search.There are also other cases where direct transfer becomes particularly useful. Some proprietary data formats may not convert cleanly into mzML, while nominal-mass MS/MS data are not supported for MS/MS searching in the NIST26 Chromatogram tab. For this type of data, transferring or importing spectra into Library Search becomes the practical alternative.<h4>Which vendor software can send spectra directly to NIST?</h4>Several major instrument platforms provide direct integration with NIST Library Search.The workflow is available with software from:<ul><li>Agilent, including MassHunter and OpenLab,</li><li>Waters,</li><li>Thermo Fisher Scientific.</li></ul>Wiley KnowItAll can also import spectra into NIST Search and supports numerous vendor data formats through its own software environment.For some other platforms, direct NIST integration may not be available. In those situations, spectra can potentially be exported in text-based formats such as TXT or MSP ASCII and then imported into the Spectrum List in NIST Library Search.Direct transfer is generally more convenient because it avoids intermediate export and import steps.<h4>A practical Agilent example</h4>The workflow can be demonstrated using Agilent software.An analyst first selects the desired MS/MS region, averages the spectrum if necessary, and transfers it into the spectrum display. From there, the spectrum can be sent to NIST using the Search Using NIST MS Program command.Once properly configured, NIST automatically receives the spectrum and initiates the specified search. Before relying on this workflow, however, the import and library search parameters should be checked carefully.<h4>Setting up accurate-mass spectrum import</h4>For high-resolution MS/MS data, the first important step is found under Spectrum Import Options.Accurate-mass spectra should be imported with the appropriate number of decimal places for precursor and product ions, and the Accurate m/z spectrum type must be selected.Preserving mass accuracy is essential because one of the main advantages of HRMS library searching is the ability to distinguish candidates using precise precursor and fragment masses.Once the import settings are correct, the next step is configuring the library-search parameters.<h4>Searching without a precursor ion</h4>Depending on how the spectrum is selected or averaged in the vendor software, precursor information may not always be transferred automatically.NIST26 can still search such a spectrum using HiRes NoPrecursor mode.Alternatively, if the precursor m/z is known, it can be entered manually and the search can then include precursor information.The no-precursor approach can be convenient when quickly screening manually selected MS/MS spectra, particularly when the fragment pattern itself contains enough information to generate useful candidate matches.<h4>Setting mass tolerances</h4>For accurate-mass MS/MS searching, suitable precursor and product-ion tolerances are essential.An example configuration uses:<ul><li>20 ppm for the precursor ion</li><li>40 ppm for product ions</li></ul>These settings can be kept consistent with those used in the NIST26 Chromatogram workflow.Proper tolerance settings help balance search sensitivity with selectivity. If tolerances are too wide, more irrelevant candidates may be returned; if they are too narrow, valid matches can be missed because of normal measurement variation.<h4>Combining multiple spectral libraries</h4>One of the strengths of NIST Search is the ability to search multiple libraries simultaneously.A typical configuration can include the NIST high-resolution MS/MS library together with the NIST low-resolution tandem library.The NIST low-resolution library can participate in accurate-mass workflows because it contains the required indexing information. This is important because not every custom or older low-resolution library will necessarily be compatible with the same type of high-resolution search.Additional public resources can also be included, such as:<ul><li>MS-DIAL positive-mode libraries</li><li>MS-DIAL negative-mode libraries</li><li>MoNA LC-MS/MS</li></ul>Combining commercial and public libraries can substantially broaden spectral coverage. In the demonstrated workflow, several million spectra could be searched in a single configuration.For laboratories dealing with unusual metabolites, impurities, environmental contaminants, or compounds outside mainstream commercial libraries, this expanded search space can be particularly valuable.<h4>Structure searches require separate library selection</h4>MS/MS searching and structure searching do not necessarily use the same library selections.If structural searching is required, the appropriate structure-containing libraries must also be loaded in the corresponding Library Search settings.This distinction is easy to overlook when first configuring NIST26. A library may contain useful spectra but no associated structures, or the structure database may need to be explicitly selected before substructure or related structural searches can be performed.<h4>Automating the search</h4>Once the library and tolerance settings have been defined, Automatic Search can be enabled.This allows the spectrum transferred from vendor software to trigger a search immediately rather than requiring the user to launch it manually each time.For repeated workflows involving many manually selected peaks, this small automation can save considerable time.After the configuration has been optimized, it is useful to save it as a dedicated setup—for example, a configuration specifically designed for vendor-imported spectra.<h4>Understanding the result table</h4>NIST search results are typically ranked by score, but additional parameters can also help interpret the matches.Fields can include:<ul><li>score,</li><li>reverse score,</li><li>partial spectrum search score,</li><li>dot product,</li><li>molecular weight,</li><li>other user-selected parameters.</li></ul>The search result display can be customized by right-clicking the column headers and adding or removing fields.Although the standard score will usually remain the primary ranking criterion, alternative metrics can be useful when evaluating spectra with missing fragments, additional peaks, partial spectral overlap, or related structures.<h4>Why it can be useful to keep duplicate matches visible</h4>NIST includes a Best Matching Only option that reduces duplicate or repeated entries in the displayed results.When enabled, the software may reduce a list containing several library records of the same compound to the best representative match.This makes the result list easier to review, but it can also hide useful information.For initial evaluation, it is often preferable to leave this option disabled so that all matching spectra remain visible. Multiple spectra of the same compound may come from different collision energies, instruments, ion forms, or libraries, and reviewing these variations can provide useful confirmation.Filters can always be applied later once the analyst understands the full result set.<h4>Visual comparison of unknown and library spectra</h4>NIST Library Search provides several complementary views of each candidate.The experimentally acquired unknown spectrum is displayed together with the selected library spectrum, while a head-to-head spectral comparison provides an immediate visual representation of matching and non-matching ions.This is important because library-search scores should not be treated as a fully automated identification decision.A strong match should still be examined visually, especially when dealing with complex spectra, low-abundance fragments, co-isolated ions, or compounds with closely related structural analogues.The combination of numerical scoring and visual inspection provides a stronger basis for interpretation.<h4>An important issue with the Intensity Threshold setting</h4>One practical software issue deserves particular attention when importing high-resolution spectra.The Spectrum Import Options window includes an Intensity Threshold function that can remove low-intensity signals and reduce spectral noise.In principle, this would be useful. However, when an intensity threshold is applied, imported high-resolution spectra may lose their decimal mass information and be transferred as nominal-mass spectra instead.An accurate-mass peak such as 176.0815 could therefore appear simply as m/z 176.For HRMS users, this effectively removes one of the most important dimensions of the data and can compromise accurate-mass searching.Until this behavior is corrected, the safer approach is to avoid using the Intensity Threshold option during high-resolution spectrum import and perform any necessary filtering elsewhere.<h4>A related display issue in the Chromatogram window</h4>A second software behavior concerns how Spectrum Import Options are reflected in the Chromatogram tab.If the decimal precision is set to zero for importing low-resolution spectra, the head-to-head spectral display may subsequently show masses truncated according to those settings.Importantly, this is a display issue only.It does not change the accurate-mass deconvolution results or the library-search table. The underlying processed data remain unaffected; only the visual comparison at the top of the Chromatogram window reflects the altered import settings.Understanding this distinction can prevent users from mistakenly assuming that accurate-mass data have been lost from the processed results.<h4>When direct vendor-to-NIST searching is most useful</h4>Direct transfer from vendor software is not intended to replace the complete NIST26 Chromatogram workflow.Instead, it provides a complementary route for situations where full chromatographic processing is unnecessary or unavailable.It can be particularly effective when:<ul><li>only a few peaks need identification,</li><li>deconvolution is not required,</li><li>mzML conversion adds unnecessary processing,</li><li>vendor files cannot be converted reliably,</li><li>nominal-mass MS/MS spectra need to be searched,</li><li>spectra have already been reviewed and selected in the vendor environment.</li></ul>For these cases, direct spectrum transfer offers a fast route from the original MS/MS data to spectral library identification.<h4>Connecting vendor software with broader NIST26 capabilities</h4>The workflow also illustrates a broader advantage of NIST26: analysts do not have to choose between the instrument vendor's software and an independent spectral-search environment.Vendor software can remain the primary platform for inspecting chromatograms and selecting spectra, while NIST provides access to large commercial libraries, public MS/MS databases, flexible scoring, spectral comparison, and additional interpretation tools.Used together, these environments can provide a practical workflow for both rapid routine searching and more detailed unknown identification.The key is careful configuration. Accurate-mass import settings, mass tolerances, library selection, search mode, and result-display options all influence how effectively the workflow performs.Once these parameters are properly established and saved, sending a spectrum from the vendor software to NIST26 can become a rapid and repeatable part of everyday LC-MS/MS data interpretation.

Sending MS/MS (Tandem) Spectra to NIST26 Search

Compositional and Metabolomic Characterization of Major On-Farm Side Streams and Derived Products of Industrial Fine-Flavor Cocoa Processing

The integrity of sport depends on the ability to detect prohibited substances accurately, reliably and with confidence. However, as doping strategies become increasingly sophisticated, the analytical demands placed on anti-doping laboratories continue to evolve.Today’s laboratories must do more than test for a static list of known compounds. They need broad analytical strategies capable of addressing hundreds of substances across multiple chemical classes, identifying emerging threats and supporting defensible confirmation and reporting of adverse analytical findings. For more than 25 years, Thermo Fisher Scientific has worked globally with World Anti-Doping Agency (WADA)-accredited laboratories to advance the analytical science supporting modern anti-doping programs.<h3>Anti-doping testing is a moving target</h3>The World Anti-Doping Agency publishes an annually updated Prohibited List that provides a global framework for testing programs. Yet the list is non-exhaustive, meaning laboratories may also need to detect structurally related compounds and substances across several categories, with similar chemical structure and biological activity. That creates a significant analytical challenge. Anti-doping laboratories must be prepared to monitor a broad range of compounds while maintaining the sensitivity, specificity, and confidence required for both initial testing and confirmation. At the same time, the landscape continues to change. Emerging substances, rapidly expanding doping strategies and new approaches to sample collection and analysis are creating multiple considerations for anti-doping laboratories to consider. Dried blood spots (DBS), for example, have gained attention as a complementary approach to traditional urine and venous blood collection supporting applications such as detecting steroid esters and monitoring peptides. High-resolution mass spectrometry is also enabling laboratories to consider both targeted analysis and retrospective interrogation of previously acquired data as scientific knowledge and regulations evolve.<h3>From screening to confident confirmation</h3>No single analytical technique can address every anti-doping challenge.With respect to chemical analysis of toxicologically relevant compounds, modern doping control laboratories employ complementary technologies—including liquid chromatography-mass spectrometry (LC-MS), gas chromatography-mass spectrometry (GC-MS) and isotope ratio mass spectrometry (IRMS)—depending on the compounds and analytical questions involved.For initial testing, laboratories may need to efficiently screen biological samples for numerous prohibited substances spanning categories such as steroids, stimulants, metabolic modulators, diuretics, narcotics, cannabinoids and peptides.When &nbsp;an initial Testing Procedure produces a result requiring confirmation, laboratories need analytical approaches capable of supporting confident confirmation.This combination of broad screening and targeted confirmation has made mass spectrometry central to modern anti-doping science.<h3>Expanding possibilities with LC-MS</h3>High-resolution accurate-mass mass spectrometry can provide precise mass measurements while supporting comprehensive screening of known and suspected substances, while preserving information-rich data that can support investigation of emerging or previously untargeted compounds.An important advantage of high-resolution mass spectrometry is the ability to revisit previously acquired data. As new substances, metabolites or other analytical targets are identified, laboratories can potentially re-process previously acquired full scan data (and any corresponding MSn experiment) without reanalyzing the original sample. This strategy is currently used by laboratories to support global re-testing programs.&nbsp; Triple quadrupole <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/products?category=20&amp;manufacturerItems=3">LC-MS</a> can complement these workflows by supporting sensitive, targeted quantitation and confirmation of prohibited substances.Together, these approaches provide laboratories the flexibility needed to address today’s testing requirements while giving laboratories greater flexibility to respond to emerging analytical challenges.<h3>The continuing role of GC-MS/MS</h3>Gas chromatography coupled with triple quadrupole mass spectrometry remains an important technology in anti-doing laboratories, particularly for urinary steroid profiling and the screening and confirmation of anabolic- &nbsp;androgenic steroids and other GC-amenable prohibited substances.GC-MS/MS can support both screening and confirmation while providing the sensitivity, selectivity and dymanic range required for screening and confirmatory analysis.The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/485">Thermo Scientific TSQ 9610 Triple Quadrupole GC-MS</a> is designed to maximize sample throughput, helping laboratories address the demands of routine testing while maintaining analytical performance across a wide dynamic range. &nbsp;The TSQ 9610 incorporates NeverVent technology, designed to increase instrument uptime by reducing the disruption associated with routine source maintenance.As anti-doping workflows evolve, bridging screening and confirmation together within robust analytical strategies can help laboratories respond efficiently to increasingly complex testing requirements.<h3>When identifying a steroid isn’t enough</h3>In some anti-doping investigations, simply detecting a compound does not provide the complete answer.Testosterone, for example, can be produced naturally by the body or administered externally as an anabolic steroid. In cases where laboratories need to distinguish between endogenous and exogenous sources, isotope ratio mass spectrometry can provide another layer of information.GC-IRMS can help laboratories determine whether selected urinary steroids are consistent with an endogenous or exogenous origin by comparing carbon isotope ratios.The result is an analytical toolkit in which different technologies answer different questions—from broad screening and sensitive confirmation to determining the origin of a compound.<h3>Putting advanced workflows into practice</h3>Technology is only part of the equation. Real-world anti-doping laboratories also need to manage high sample volumes, turnaround expectations and continually changing analytical requirements.At Laboratoire Anti-Dopage Français (LADF), Director Dr. Magnus Ericsson and his team use advanced mass spectrometry workflows to support anti-doping testing.According to Ericsson, integration of <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products?category=20&amp;manufacturerItems=3">Thermo Scientific TSQ</a> and <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products?category=37&amp;manufacturerItems=3&amp;search=vanquish">Vanquish systems</a> has helped enhance efficiency and turnaround while supporting more than 40,000 sample analyses since 2023.Experiences like these demonstrate how integrated analytical workflows can help laboratories translate advances in mass spectrometry into routine anti-doping operations.<h3>Preparing for what comes next</h3>Anti-doping science has advanced dramatically—from early testing approaches to today’s sophisticated, — mass spectrometry technologies; including but not limited to <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/products?category=20&amp;manufacturerItems=3">GC-MS/MS</a>, <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/products?category=20&amp;manufacturerItems=3">LC-MS/MS</a>, <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products?category=22&amp;manufacturerItems=3">high-resolution accurate-mass MS</a> and<a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/products?category=351&amp;manufacturerItems=3"> isotope ratio MS</a> workflows.But the science cannot stand still.Emerging compounds, evolving regulations and increasingly sophisticated doping strategies mean laboratories must continually evaluate how they manage and process samples and then screen, identify, quantify and confirm prohibited substances. The goal remains constant: provide accurate, high-quality analytical results that help protect the integrity of competition.Explore the technologies, workflows and expert perspectives shaping the next generation of anti-doping testing in our comprehensive eBook, Upholding the Integrity of Sport.<blockquote><h5><a target="_blank" rel="noopener noreferrer" href="https://documents.thermofisher.com/TFS-Assets/CMD/brochures/eb-004467-cl-cmd-ms-antidoping-eb004467-na-en.pdf">Download the anti-doping eBook</a></h5></blockquote>Visit us on&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a>&nbsp;#AntiDoping #MassSpectrometry #SportsIntegrity #WADA

Advancing Anti-Doping Science: Analytical Strategies for the Evolving Fight Against Doping

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Thermo Scientific SII for Empower Software

Incorporate and operate Thermo Scientific UHPLC, HPLC, GC, and IC instruments within other vendors' software platforms with the Thermo Scientific™ SII for Empower 3 Software plug-in.

<div id="product-description">Incorporate and operate Thermo Scientific UHPLC, HPLC, GC, and IC instruments within other vendors' software platforms with the Thermo Scientific™ Standard Instrument Integration (SII) for Empower 3 Software plug-in. The SII for Empower 3 plug-in is based on the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76">Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS)</a> and offers unique and smart features that deliver maximum ease-of-use, reliability, and performance. It also enables Thermo Scientific™ chromatography systems to be operated and controlled by <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/627">Waters™ Empower™ 3 CDS software</a>.</div><div>While Chromeleon CDS is the recommended software for control of Thermo Scientific UHPLC, HPLC, GC, and IC instruments due to its maximum ease of use, reliability, and performance, other vendors' CDS software can also incorporate and operate these instruments with the SII for Empower™ 3 Software plug-in.The SII for Empower™ Software installs and uses portions of <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76">Chromeleon CDS</a>, such as the Services Manager, Instrument Configuration Manager, Instrument View, and Instrument Method Editor, to deliver flawless integration of Thermo Scientific LC, IC, and GC instrumentation into Empower™ 3 CDS without loss of functionality. Instrument control, data acquisition, and data processing are performed completely under Empower™ 3 Software.Configure your instruments Up to four instruments can be configured per Empower™ node using the standard Chromeleon Instrument Configuration Manager.Control your instruments SII for Empower™ Software provides a complete set of commands because they are present under native Chromeleon CDS control. For the user, this means that all the Chromeleon CDS tools and advanced features, such as preparing the next sample during an ongoing analysis, can be implemented to increase productivity and receive more data with fewer injections.SII for Empower™ controls the following systems:<ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=37&amp;manufacturerItems=3&amp;search=Vanquish">Thermo Scientific™ Vanquish™ HPLC and UHPLC systems</a></li><li>Thermo Scientific™ UltiMate™ 3000 HPLC systems</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/410">Thermo Scientific™ Dionex™ ICS-6000 HPIC™ system</a></li><li>Thermo Scientific™ Dionex™ ICS-5000 HPIC™ system</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/408">Thermo Scientific™ Dionex™ Integrion™ HPIC™ system</a></li><li>Thermo Scientific™ Dionex™ Aquion™ system</li><li>Thermo Scientific™ TRACE™ 1300 GC systems</li></ul>Monitoring instrument status within Empower™ can be performed using the Empower™ Control Panel. Here, an enhanced SII Instrument View is easily accessed to provide further options to control and monitor the instrument and its modules.Instrument Methods Setting up an instrument method is simple, intuitive, and fast due to the SII for Empower™ Instrument Method Wizard and Editor, both of which are integrated into the Instrument Method Editor of Empower™. The wizard guides the user through all modules, enabling the entry of all necessary information, while the editor allows the review and modification of all aspects of a method.Process your data Complete data processing takes place inside Empower™ Software, which allows you to use all functionalities as you would normally, for example, overlay of chromatograms or other channels like pressure traces. The Empower™ user experience does not change for any data processing aspect.</div>

Thermo Scientific LC-MS Data Acquisition Software

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

Thermo Scientific™ Chromeleon™ XPS Open Access Software

Thermo Scientific™ Chromeleon™ XPS provides streamlined and easy-to-use interface for Thermo Scientific™ Chromeleon™ CDS, while maintaining full capabilities of the CDS software.

In modern laboratories, chromatography techniques and the use of mass spectrometry (MS) detection are in high demand. Until recently, MS detectors were regarded as sophisticated detection tools that could be operated only by a highly trained specialist. Nowadays mass spectrometers are increasingly used as straightforward detectors for chromatography.Alongside this move into routine use of MS is the continued deskilling of staff in the laboratory world, causing highly experienced chromatographers to be in short supply. The result is a substantial number of regular scientists and process operators that need to generate chromatographic results using advanced instrumentation themselves.The solution is an Open Access tool enabling users to simply walk up and use a very straightforward interface to exploit the full power of the chromatography data system (CDS), without actually using the CDS software itself. Thermo Scientific™ Chromeleon™ XPS provides this streamlined and easy-to-use interface for <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76">Thermo Scientific™ Chromeleon™ CDS</a>, while maintaining full capabilities of the CDS software, like instrument control, data processing, reporting and compliance tools.<h3>Workflow</h3>Users can walk up to any chromatography instrument connected to the CDS, with or without MS detection, and start to run their analysis with only a few mouse-clicks.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_5e8f8c3dec.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: First, select the analysis to perform (A) and which instrument should be used (B). The instrument overview shows the current instrument status’ and displays the estimated wait time until each instrument is available and the number of sample positions still available. The instrument list is filtered depending on the analysis selected and the users privileges to only show appropriate instruments." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_5e8f8c3dec.jpg 196w," sizes="100vw" width="876" height="697"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_2_a8b64a52ae.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: Next, enter the sample names (C) and any other parameters (D) required for the analysis." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_2_a8b64a52ae.jpg 196w," sizes="100vw" width="876" height="697"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_3_4b4367ffae.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: Place the sample vials in the indicated positions and select Submit." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_3_4b4367ffae.jpg 196w," sizes="100vw" width="876" height="697"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_4_0386d31c9a.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: The sequence is submitted and will run. The operator is shown the expected start and finish time of the analyses." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_4_0386d31c9a.jpg 245w," sizes="100vw" width="625" height="263"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_5_1b51ab8dd2.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: At the end of the run, the results are automatically printed and/or exported and a link to the exported report can be distributed via email." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_5_1b51ab8dd2.jpg 245w," sizes="100vw" width="814" height="309"><h3>Configuration and management</h3>Running samples is as easy as described above once Chromeleon XPS software is set up, configured and managed by an experienced chromatographer.<ul><li>All the methods required for the analysis must be created; the instrument method with all instrument control and data acquisition parameters, the processing method with all data processing parameters and the report template with all required results, to be reported.&nbsp;</li><li>A Chromeleon eWorkflow is created using these methods. An eWorkflow is an electronic procedure that automates all steps of the laboratory process related to a chromatographic analysis</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_6_a3b2219e42.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: The lab manager can customize Chromeleon XPS to show or hide individual toolbar buttons (A), which eWorkflows are visible to users (B) and which instruments they can access (C)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_6_a3b2219e42.jpg 196w," sizes="100vw" width="876" height="697"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_7_d647111f5d.jpg" alt="Thermo Scientific™ Chromeleon™ XPS Open Access Software: In addition, it is possible to define various system options, such as which email notifications to send." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_XPS_Open_Access_Software_7_d647111f5d.jpg 193w," sizes="100vw" width="659" height="533">Chromeleon XPS Open Access software lets any user run samples on their own by delivering a clean, streamlined walk-up interface that utilizes the full power of Chromeleon CDS. Users can access all instruments controlled by <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76">Chromeleon CDS</a>, including MS, and automatically receive results or notifications about run completion or failure. The management console contains advanced customization options to fulfill any organization’s requirements, included fully regulated environments.Chromeleon XPS software provides error-free execution of any chromatography analysis with minimal training requirements for users.

Thermo Scientific Chromeleon CDS Mass Spectrometry Software

Chromeleon CDS unifies MS workflows with full compliance, remote access, and seamless control of Thermo Scientific MS instruments in a scalable, secure platform.

<div><div>Consolidate your mass spectrometry (MS) laboratory with robust support for targeted quantitation and screening workflows in biopharma, environmental, and food safety sectors.Connect instruments, users, and data in a centralized scalable server-based system, providing remote data access and central management of methods, templates, and reports. Full support for GMP compliance helps ensure data integrity, traceability, and verification throughout the data lifecycle. Native control of Thermo Scientific MS instruments, including single quadrupole, triple quadrupole and high-resolution accurate mass (HRAM), enables robust instrument operations.<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76">Thermo Scientific Chromeleon Chromatography Data System (CDS) Software </a>combines with industry-leading Thermo Scientific MS instrumentation to deliver an&nbsp;outstanding solution for targeted MSn quantitation workflows.<h3>Key Chromeleon features</h3><div><div><div><h4>Built for MS workflows</h4>Chromeleon Software supports targeted quantitation and screening MS workflows by providing a comprehensive solution for data acquisition, processing, and reporting. See how the software facilitates advanced data analysis and integrates seamlessly with other software tools to enhance the efficiency and reliability of your MS workflows. Examples include:<ul><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/pharma-biopharma/pre-clinical-and-clinical-drug-testing/small-molecule-bioanalysis-dmpk.html">Bioanalysis:</a> Take advantage of simultaneous MS data acquisition, automated system suitability testing, spectral library integration, and data exchange with <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/digital-solutions/lab-informatics/lab-information-management-systems-lims/solutions/watson.html">Thermo Scientific Watson LIMS.</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/pharma-biopharma/biopharmaceutical-analytical-testing/intact-protein-analysis-workflows.html">Intact proteins:</a>&nbsp;Achieve high-quality results with optimized algorithms for both isotopically resolved and unresolved data, MS1 - MS3 targeted library searching, and deliver high-throughput, accurate results.</li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/pharma-biopharma/biopharmaceutical-analytical-testing/multi-attribute-method.html?erpType=Global_E1">Multi-Attribute Method (MAM):</a>&nbsp;Combine the flexibility of <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1837">Thermo Scientific BioPharma Finder Software</a> with compliance-ready Chromeleon Software to deliver a powerful MAM workflow.</li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/food-beverage/food-analytical-testing/persistent-organic-pollutants-food.html">Dioxin, PCBs, and POPs analysis:</a>&nbsp;Use built-in advanced internal standard techniques for accurate quantitation in complex matrices and automate sequence creation, calculations and reporting.</li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/environmental/environmental-contaminant-analysis/emerging-contaminants/pfas-testing.html">PFAS analysis:</a>&nbsp;Combine Chromeleon Software with <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759">Thermo Scientific Compound Discoverer Software</a> for compliant MS data acquisition, advanced discovery, identification, and targeted processing, and reporting.</li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/food-beverage/food-analytical-testing/pesticide-residues-analysis.html">Pesticide analysis:</a>&nbsp;Utilize out-of-the-box workflows for fast and simple processing with tailored view settings, automated cross-confirmation, and adherence to SANTE guidelines.</li></ul><div><div><div><h4>Single software solution</h4>Increase productivity with a single software solution for your entire laboratory and eliminate the complexity of multiple data systems to simplify training, streamline workflows, and reduce manual processes across your lab.Supporting a broad range of MS and chromatography techniques within one intuitive platform, the consistent user experience spans all analyses—regardless of deployment model—and includes complete coverage from instrument control to data acquisition, processing, and reporting for both front-end separation and MS detection.<div><div><div><h4>Control and access from anywhere</h4>Keep your operations running smoothly and securely, whether working in the lab or remotely. Deliver secure, remote access to instruments and data, making it easy to monitor runs, review results, and manage workflows from anywhere.Reduce IT overhead with streamlined system management using tools like the built-in updater to automate centralized rollout of maintenance packages, operating system updates, antivirus updates, among others, across the entire installation.Help ensure data security with comprehensive system access control, auditing, and reporting using powerful querying capabilities facilitated by automated, centralized data storage with a secure relational database.<div><div><div><h4>Built-in resilience and scalability</h4>Achieve resilient, scalable performance across your laboratory operations. Designed for continuous uptime with zero data loss, the software features best-in-class automated network failure protection to keep your laboratory running and protect your data.Its flexible architecture scales effortlessly from small, on-premise installations to large, multi-site deployments—on-premise, in the cloud, or virtual—without the need for reinstallation—while maintaining a consistent user experience.Safeguard your data at every stage with robust network architecture and multi-layered security, eliminating single points of failure. With Chromeleon Software, your lab stays secure, connected, and ready to grow.<div><div><div><h4>Enabling regulatory compliance</h4>Chromeleon Software is designed from the ground up to help MS and chromatography labs simplify achieving, maintaining and demonstrating compliance to rigorous regulatory standards such as GxP, ISO, and 21 CFR Part 11. It provides powerful tools to help ensure data integrity, including extensive user access controls, comprehensive time-stamped audit trails, and result versioning capabilities. Electronic signatures and automated reporting enable efficient data review by exception, allowing for quick identification and resolution of discrepancies. These features work together to support laboratories in maintaining secure, traceable, and compliant workflows.</div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>

Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) Software

Run your lab on an intuitive, user-friendly Chromatography Data System (CDS) that also scales from workstation to global deployment. 

<div><div container-id="cq-colctrl-lt1" comp-id="A1"><div><h2>End the compromise between lab efficiency and IT needs</h2></div></div><div container-id="cq-colctrl-lt1" comp-id="A2"><div>Run your lab on an intuitive, user-friendly Chromatography Data System (CDS) that also scales from workstation to global deployment. Connecting people, instruments, and enterprise data management, Thermo Scientific Chromeleon CDS delivers productivity gains, data integrity, and full support of GMP compliance for chromatography, third party systems, including capillary electrophoresis, and Thermo Scientific mass spectrometry instruments.Built-in Chromeleon eWorkflow™ provides you with the means to go from injection to final results in just three mouse clicks. Chromeleon CDS provides data security, audit-trails documentation and simplified reviews, and is built around a relational database to provide comprehensive coverage of functionality to adhere to GMP and data integrity guidelines.&nbsp;Its service-oriented architecture allows for the fastest performance by separating high-load tasks to run in individual processes on dedicated hardware. With significant advances in system architecture delivering faster processing, particularly for MS users, and enhanced network stability for large networks through balanced distribution of data management and domain administration loads, your lab can perform like never before.Chromeleon Enterprise Software effectively scales to accommodate over 1000 instruments and seamlessly connects users worldwide within a tiered enterprise system.And now with the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1821">Thermo Scientific Ardia Platform</a>&nbsp;connected software environment, you can super-charge your Chromeleon CDS with enhanced lab management tools and Ardia Server-side processing for even faster MS/MS data handling speeds.&nbsp;<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_9_7afc16ebb0.jpg" alt="Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) Software" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_9_7afc16ebb0.jpg 245w," sizes="100vw" width="2570" height="1086"><div><h3>Key CDS features</h3></div><div>A networked or enterprise CDS is vital for compliant, efficient and reliable operation. Streamline your workflows using software that was built with both the lab and IT in mind. Scale from a single workstation up to global, multi-site deployment with a solution designed for tracking, accountability, and QA/QC that is incredibly easy to use, with fewer mouse clicks.Chromeleon CDS supports more than 500 chromatography instruments, including third-party capillary electrophoresis systems and Thermo Scientific single/triple quadrupole as well as high-resolution accurate-mass (HRAM) mass spectrometry instruments in a single data system.</div><div colctrl-id="5-1"><div><div container-id="cq-colctrl-lt3" comp-id="A1"><div><div data-seo-schema="" data-seo-element="description"><div><h4>Workstation</h4>Instruments, intelligence, insightChromeleon CDS delivers ease of use, comprehensive instrument control, automated data analysis and flexible reporting.<ul><li>Eliminate errors and simplify training using eWorkflow procedures&nbsp;</li><li>Achieve more "right-first-time" analyses using Smart Startup and Intelligent Run Control</li><li>Accelerate data processing, reviewing and reporting with dynamic updating and smart tools built in</li></ul></div></div><figure class="image"><img style="aspect-ratio:2682/600;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_2_45040ea7dd.jpg" alt="Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) Software: Workstation" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_2_45040ea7dd.jpg 245w," sizes="100vw" width="2682" height="600"></figure><div data-seo-schema="" data-seo-element="description"><div><h4>Workstation Connect</h4>Security, sharing, supportConvert multiple workstations to a small network to realize many benefits of enterprise without the effort or expense.<ul><li>Remote instrument control and data processing</li><li>Compliance and data integrity tools as standard</li><li>Improved sharing and security of data without need for a separate server</li><li>Access guaranteed support response times</li></ul><img style="aspect-ratio:2682/600;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_3_92167c8126.jpg" alt="Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) Software: Workstation Connect" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_3_92167c8126.jpg 245w," sizes="100vw" width="2682" height="600"></div></div><div data-seo-schema="" data-seo-element="description"><div><h4>Enterprise</h4>Compliance, connectivity, confidenceSupport your scientific business and digital transformation goals from single laboratory to global, multi-site, cloud-based deployment.&nbsp;<ul><li>Manage instruments, procedures, and protocols in a single software</li><li>Connect multiple sites to a central data server with the same performance as a fully local operation</li><li>Integrate with other informatics solutions: LIMS, LES or ELN</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_4_16c82a693c.jpg" alt="Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) Software: Enterprise" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_4_16c82a693c.jpg 245w," sizes="100vw" width="2682" height="600"><div><h3>Focus areas</h3></div><div colctrl-id="6-1"><div><div container-id="cq-colctrl-lt4" comp-id="A1"><div><div data-seo-schema="" data-seo-element="description"><div><h4>Built for the Lab</h4>Analyze without compromise<ul><li>Meet compliance and productivity needs</li><li>Designed for chromatography, CE, and MS (including HRAM)</li><li>Customizable user interface</li><li>Amplified spreadsheet-based custom reporting engine</li><li>Achieve more “right-first-time” analyses</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_5_b25345a248.jpg" alt="Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) Software: Built for the Lab" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_5_b25345a248.jpg 245w," sizes="100vw" width="2682" height="600"></div></div><div data-seo-schema="" data-seo-element="description"><div><h4>Built for IT</h4>Standardize without compromise<ul><li>Meet stability and data security needs</li><li>Ensure business continuity</li><li>Go beyond 1000+ connected users/instruments/workstations without affecting performance</li><li>Benefit from centralized management</li><li>Deliver strong, reliable ROI</li><li>Ability to adapt to your infrastructure</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_6_253bc4812c.jpg" alt="Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) SoftwareBuilt for IT" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_6_253bc4812c.jpg 245w," sizes="100vw" width="2682" height="600"></div></div><div data-seo-schema="" data-seo-element="description"><div><h4>Built for Compliance</h4>Optimize without compromise<ul><li>Utilize built-in features to establish and maintain your validated state&nbsp;</li><li>Schedule automated data management tasks</li><li>Simplify meeting latest regulatory requirements</li><li>Streamline with centralized data and audit trail review</li><li>Benefit from our rigorous testing</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_7_40b07fccc8.jpg" alt="Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) Software: Built for Compliance" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_7_40b07fccc8.jpg 245w," sizes="100vw" width="2682" height="600"></div></div><div data-seo-schema="" data-seo-element="description"><div><h4>Built for MS</h4>Specialize without compromise<ul><li>Leverage MS productivity tools for up to 10x faster processing</li><li>Optimize background processing whilst freeing the UI</li><li>Utilize built-in MS workflow packages and report templates</li><li>Gain confidence in results with support for cross-technique confirmation</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_8_94a5adf2cb.jpg" alt="Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) Software: Built for MS" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Chromeleon_Chromatography_Data_System_CDS_Software_8_94a5adf2cb.jpg 245w," sizes="100vw" width="2682" height="600"></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>

Products from category Chromatography software distributed by Thermo Fisher Scientific (EMEA) - page 1

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