<p><span><strong>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.</strong></span></p><h4><span><strong>When does direct transfer from vendor software make sense?</strong></span></h4><p><span>NIST26 provides integrated data processing in the <strong>Chromatogram</strong> tab, including workflows for deconvolution and library searching. In many cases, this is the most comprehensive way to process LC-MS/MS datasets.</span></p><p><span>However, chromatogram-based processing generally requires conversion of the original vendor data into <strong>mzML</strong>, 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.</span></p><p><span>In these situations, it can be more efficient to select an MS/MS spectrum directly in the original vendor software and send it to <strong>NIST Library Search</strong>.</span></p><p><span>There are also other cases where direct transfer becomes particularly useful. Some proprietary data formats may not convert cleanly into mzML, while <strong>nominal-mass MS/MS data are not supported for MS/MS searching in the NIST26 Chromatogram tab</strong>. For this type of data, transferring or importing spectra into Library Search becomes the practical alternative.</span></p><h4><span><strong>Which vendor software can send spectra directly to NIST?</strong></span></h4><p><span>Several major instrument platforms provide direct integration with NIST Library Search.</span></p><p><span>The workflow is available with software from:</span></p><ul><li><span><strong>Agilent</strong>, including MassHunter and OpenLab,</span></li><li><span><strong>Waters</strong>,</span></li><li><span><strong>Thermo Fisher Scientific</strong>.</span></li></ul><p><span>Wiley KnowItAll can also import spectra into NIST Search and supports numerous vendor data formats through its own software environment.</span></p><p><span>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 <strong>TXT or MSP ASCII</strong> and then imported into the Spectrum List in NIST Library Search.</span></p><p><span>Direct transfer is generally more convenient because it avoids intermediate export and import steps.</span></p><h4><span><strong>A practical Agilent example</strong></span></h4><p><span>The workflow can be demonstrated using Agilent software.</span></p><p><span>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 <strong>Search Using NIST MS Program</strong> command.</span></p><p><span>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.</span></p><h4><span><strong>Setting up accurate-mass spectrum import</strong></span></h4><p><span>For high-resolution MS/MS data, the first important step is found under <strong>Spectrum Import Options</strong>.</span></p><p><span>Accurate-mass spectra should be imported with the appropriate number of decimal places for precursor and product ions, and the <strong>Accurate m/z</strong> spectrum type must be selected.</span></p><p><span>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.</span></p><p><span>Once the import settings are correct, the next step is configuring the library-search parameters.</span></p><h4><span><strong>Searching without a precursor ion</strong></span></h4><p><span>Depending on how the spectrum is selected or averaged in the vendor software, precursor information may not always be transferred automatically.</span></p><p><span>NIST26 can still search such a spectrum using <strong>HiRes NoPrecursor</strong> mode.</span></p><p><span>Alternatively, if the precursor </span><i><span>m/z</span></i><span> is known, it can be entered manually and the search can then include precursor information.</span></p><p><span>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.</span></p><h4><span><strong>Setting mass tolerances</strong></span></h4><p><span>For accurate-mass MS/MS searching, suitable precursor and product-ion tolerances are essential.</span></p><p><span>An example configuration uses:</span></p><ul><li><span><strong>20 ppm for the precursor ion</strong></span></li><li><span><strong>40 ppm for product ions</strong></span></li></ul><p><span>These settings can be kept consistent with those used in the NIST26 Chromatogram workflow.</span></p><p><span>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.</span></p><h4><span><strong>Combining multiple spectral libraries</strong></span></h4><p><span>One of the strengths of NIST Search is the ability to search multiple libraries simultaneously.</span></p><p><span>A typical configuration can include the <strong>NIST high-resolution MS/MS library</strong> together with the NIST low-resolution tandem library.</span></p><p><span>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.</span></p><p><span>Additional public resources can also be included, such as:</span></p><ul><li><span><strong>MS-DIAL positive-mode libraries</strong></span></li><li><span><strong>MS-DIAL negative-mode libraries</strong></span></li><li><span><strong>MoNA LC-MS/MS</strong></span></li></ul><p><span>Combining commercial and public libraries can substantially broaden spectral coverage. In the demonstrated workflow, several million spectra could be searched in a single configuration.</span></p><p><span>For laboratories dealing with unusual metabolites, impurities, environmental contaminants, or compounds outside mainstream commercial libraries, this expanded search space can be particularly valuable.</span></p><h4><span><strong>Structure searches require separate library selection</strong></span></h4><p><span>MS/MS searching and structure searching do not necessarily use the same library selections.</span></p><p><span>If structural searching is required, the appropriate structure-containing libraries must also be loaded in the corresponding Library Search settings.</span></p><p><span>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.</span></p><h4><span><strong>Automating the search</strong></span></h4><p><span>Once the library and tolerance settings have been defined, <strong>Automatic Search</strong> can be enabled.</span></p><p><span>This allows the spectrum transferred from vendor software to trigger a search immediately rather than requiring the user to launch it manually each time.</span></p><p><span>For repeated workflows involving many manually selected peaks, this small automation can save considerable time.</span></p><p><span>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.</span></p><h4><span><strong>Understanding the result table</strong></span></h4><p><span>NIST search results are typically ranked by <strong>score</strong>, but additional parameters can also help interpret the matches.</span></p><p><span>Fields can include:</span></p><ul><li><span>score,</span></li><li><span>reverse score,</span></li><li><span>partial spectrum search score,</span></li><li><span>dot product,</span></li><li><span>molecular weight,</span></li><li><span>other user-selected parameters.</span></li></ul><p><span>The search result display can be customized by right-clicking the column headers and adding or removing fields.</span></p><p><span>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.</span></p><h4><span><strong>Why it can be useful to keep duplicate matches visible</strong></span></h4><p><span>NIST includes a <strong>Best Matching Only</strong> option that reduces duplicate or repeated entries in the displayed results.</span></p><p><span>When enabled, the software may reduce a list containing several library records of the same compound to the best representative match.</span></p><p><span>This makes the result list easier to review, but it can also hide useful information.</span></p><p><span>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.</span></p><p><span>Filters can always be applied later once the analyst understands the full result set.</span></p><h4><span><strong>Visual comparison of unknown and library spectra</strong></span></h4><p><span>NIST Library Search provides several complementary views of each candidate.</span></p><p><span>The experimentally acquired unknown spectrum is displayed together with the selected library spectrum, while a <strong>head-to-head spectral comparison</strong> provides an immediate visual representation of matching and non-matching ions.</span></p><p><span>This is important because library-search scores should not be treated as a fully automated identification decision.</span></p><p><span>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.</span></p><p><span>The combination of numerical scoring and visual inspection provides a stronger basis for interpretation.</span></p><h4><span><strong>An important issue with the Intensity Threshold setting</strong></span></h4><p><span>One practical software issue deserves particular attention when importing high-resolution spectra.</span></p><p><span>The <strong>Spectrum Import Options</strong> window includes an Intensity Threshold function that can remove low-intensity signals and reduce spectral noise.</span></p><p><span>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 <strong>nominal-mass spectra</strong> instead.</span></p><p><span>An accurate-mass peak such as 176.0815 could therefore appear simply as </span><i><span>m/z</span></i><span> 176.</span></p><p><span>For HRMS users, this effectively removes one of the most important dimensions of the data and can compromise accurate-mass searching.</span></p><p><span>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.</span></p><h4><span><strong>A related display issue in the Chromatogram window</strong></span></h4><p><span>A second software behavior concerns how Spectrum Import Options are reflected in the Chromatogram tab.</span></p><p><span>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.</span></p><p><span>Importantly, this is a <strong>display issue only</strong>.</span></p><p><span>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.</span></p><p><span>Understanding this distinction can prevent users from mistakenly assuming that accurate-mass data have been lost from the processed results.</span></p><h4><span><strong>When direct vendor-to-NIST searching is most useful</strong></span></h4><p><span>Direct transfer from vendor software is not intended to replace the complete NIST26 Chromatogram workflow.</span></p><p><span>Instead, it provides a complementary route for situations where full chromatographic processing is unnecessary or unavailable.</span></p><p><span>It can be particularly effective when:</span></p><ul><li><span>only a few peaks need identification,</span></li><li><span>deconvolution is not required,</span></li><li><span>mzML conversion adds unnecessary processing,</span></li><li><span>vendor files cannot be converted reliably,</span></li><li><span>nominal-mass MS/MS spectra need to be searched,</span></li><li><span>spectra have already been reviewed and selected in the vendor environment.</span></li></ul><p><span>For these cases, direct spectrum transfer offers a fast route from the original MS/MS data to spectral library identification.</span></p><h4><span><strong>Connecting vendor software with broader NIST26 capabilities</strong></span></h4><p><span>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.</span></p><p><span>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.</span></p><p><span>Used together, these environments can provide a practical workflow for both rapid routine searching and more detailed unknown identification.</span></p><p><span>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.</span></p><p><span>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.</span></p>

Sending MS/MS (Tandem) Spectra to NIST26 Search

<p><span><strong>UCTP-REFINE Lab is a research group at the University of Chemistry and Technology Prague focused on sustainable waste valorization, chemical recycling, and the production of alternative feedstocks for chemicals and fuels. The team combines chemical engineering, catalysis, and advanced analytical chemistry to study the thermal and catalytic conversion of complex waste streams, particularly plastics, tires, and biomass, including pyrolysis and upgrading of resulting oils. A strong emphasis is placed on comprehensive characterization of feedstocks, intermediates, and products to link composition and process conditions with product quality and support the development of circular, resource-efficient technologies.</strong></span></p><h3><strong>PhD position Chemometric processing of GC×GC data from alternative fuels and oils produced via thermochemical conversion of biomass and plastics</strong></h3><h4><strong>Expected experience:</strong></h4><ul><li>Master's degree in chemistry or chemical engineering</li><li>Strong background in analytical chemistry and chemistry in general; a background in chemical engineering is beneficial</li><li>Experience with chromatography is mandatory.</li><li>Experience with <strong>chemometric data processing (e.g. in Python) </strong>and <strong>GC×GC</strong> is not required but is beneficial.</li><li><strong>Top-level English</strong>, both spoken and written, ideally proven by a certificate.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/refine_lab_equipment_33ff27095e.jpg" alt="UCTP-REFINE-lab: Process Gas Chromatograph with Electrolyzer" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_refine_lab_equipment_33ff27095e.jpg 208w," sizes="100vw" width="500" height="375"></p><h4><strong>Expected work:</strong></h4><ul><li>Close collaboration with all involved colleagues and relevant partners from the project consortium.</li><li>GC×GC analysis of complex samples utilizing FID, MS and NCD detectors.</li><li>The focus will be on alternative fuels and oils from thermochemical depolymerisation of biomass and plastics, as well as the samples after hydrotreating.</li><li>Advanced GC×GC data processing using chemometrics for prediction model development.</li><li>Participation also in sample production.</li><li>Contribution to project reports, publications, and conference presentations.</li></ul><h4><strong>What we offer:</strong></h4><ul><li>A young but fast-growing Team with strong international collaborations with academia and industry.</li><li>Top-level facilities and expertise in hydrotreating and liquid product analysis.</li><li>Work on a prospective topic in close collaboration with top EU companies as part of a demonstration EU project.</li><li>Competitive income, which level depends entirely on your activity and productivity.</li></ul><p><strong>Questions?</strong> Feel free to contact our students Adham (<strong>yaghia@vscht.cz</strong>) or Vít (<strong>vyskocit@vscht.cz</strong>).</p><ul><li><strong>Preferred start: </strong>early 2027</li><li><strong>Application deadline:</strong> 30th October 2026</li><li><strong>Funding:</strong> Fully funded PhD position as part of an upcoming HE project.</li></ul><p>If you are interested and meet the criteria, apply through the application form below.</p><blockquote><p class="cke-user_style-important"><a target="_blank" rel="noopener noreferrer" href="https://www.uctp-refine-lab.com/joining-our-team-form-gcxgc"><strong>Apply through this form</strong></a></p></blockquote>

PhD position Chemometric processing of GC×GC data from alternative fuels and oils

<p><strong>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.</strong></p><p>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.<br><br>For more than <strong>25 years</strong>, Thermo Fisher Scientific has worked globally with<strong> World Anti-Doping Agency </strong>(WADA)-accredited laboratories to advance the analytical science supporting modern anti-doping programs.</p><h3><strong>Anti-doping testing is a moving target</strong></h3><p>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.<br><br>That creates a significant analytical challenge.<br><br>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.<br><br>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.<br><br>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.</p><h3><strong>From screening to confident confirmation</strong></h3><p>No single analytical technique can address every anti-doping challenge.</p><p>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.</p><p>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.</p><p>When &nbsp;an initial Testing Procedure produces a result requiring confirmation, laboratories need analytical approaches capable of supporting confident confirmation.</p><p>This combination of broad screening and targeted confirmation has made mass spectrometry central to modern anti-doping science.</p><h3><strong>Expanding possibilities with LC-MS</strong></h3><p>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.</p><p>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;<br><br>Triple quadrupole <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/products?category=20&amp;manufacturerItems=3"><strong>LC-MS</strong></a> can complement these workflows by supporting sensitive, targeted quantitation and confirmation of prohibited substances.</p><p>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.</p><h3><strong>The continuing role of GC-MS/MS</strong></h3><p>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.</p><p>GC-MS/MS can support both screening and confirmation while providing the sensitivity, selectivity and dymanic range required for screening and confirmatory analysis.</p><p>The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/485"><strong>Thermo Scientific TSQ 9610 Triple Quadrupole GC-MS</strong></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.</p><p>As anti-doping workflows evolve, bridging screening and confirmation together within robust analytical strategies can help laboratories respond efficiently to increasingly complex testing requirements.</p><h3><strong>When identifying a steroid isn’t enough</strong></h3><p>In some anti-doping investigations, simply detecting a compound does not provide the complete answer.</p><p>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.</p><p>GC-IRMS can help laboratories determine whether selected urinary steroids are consistent with an endogenous or exogenous origin by comparing carbon isotope ratios.</p><p>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.</p><h3><strong>Putting advanced workflows into practice</strong></h3><p>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.</p><p>At <strong>Laboratoire Anti-Dopage Français (LADF)</strong>, Director Dr. Magnus Ericsson and his team use advanced mass spectrometry workflows to support anti-doping testing.</p><p>According to Ericsson, integration of <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products?category=20&amp;manufacturerItems=3"><strong>Thermo Scientific TSQ</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products?category=37&amp;manufacturerItems=3&amp;search=vanquish"><strong>Vanquish systems</strong></a> has helped enhance efficiency and turnaround while supporting more than <strong>40,000 sample</strong> analyses since 2023.</p><p>Experiences like these demonstrate how integrated analytical workflows can help laboratories translate advances in mass spectrometry into routine anti-doping operations.</p><h3><strong>Preparing for what comes next</strong></h3><p>Anti-doping science has advanced dramatically—from early testing approaches to today’s sophisticated, — mass spectrometry technologies; including but not limited to<strong> </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/products?category=20&amp;manufacturerItems=3"><strong>GC-MS/MS</strong></a>, <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/products?category=20&amp;manufacturerItems=3"><strong>LC-MS/MS</strong></a>, <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products?category=22&amp;manufacturerItems=3"><strong>high-resolution accurate-mass MS</strong></a><strong> </strong>and<a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/products?category=351&amp;manufacturerItems=3"><strong> isotope ratio MS</strong></a><strong> </strong>workflows.</p><p>But the science cannot stand still.</p><p>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.<br><br>The goal remains constant: provide accurate, high-quality analytical results that help protect the integrity of competition.</p><p>Explore the technologies, workflows and expert perspectives shaping the next generation of anti-doping testing in our comprehensive eBook, <strong>Upholding the Integrity of Sport</strong>.</p><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"><span><strong>Download the anti-doping eBook</strong></span></a></h5></blockquote><p><strong>Visit us on&nbsp;</strong><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/"><strong><u>LinkedIn:</u></strong></a>&nbsp;#AntiDoping #MassSpectrometry #SportsIntegrity #WADA</p>

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

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UCTP-REFINE Lab is a research group at the University of Chemistry and Technology Prague focused on sustainable waste valorization, chemical recycling, and the production of alternative feedstocks for chemicals and fuels. 

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Waters ACQUITY QDa II Mass Detector

The ACQUITY™ QDa™ II Mass Detector enhances efficiency and productivity in separations workflows with advanced technology.

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Compatible with green solvents ensuring reduced environmental impact.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_ACQUITY_Q_Da_II_Mass_Detector_3_f98f84c080.jpg" alt="Waters ACQUITY QDa II Mass Detector." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_ACQUITY_Q_Da_II_Mass_Detector_3_f98f84c080.jpg 234w," sizes="100vw" width="1024" height="682"></p><ul><li>Simply power on, and you’re ready to go</li><li>Zero user set-up optimization, calibration, or adjustment</li><li>Run your analyses − it just works</li><li>When you’re done, just power-off</li></ul><h3><strong>The Perfect Partner</strong></h3><h4><strong>Designed for compatibility with your chromatography&nbsp;</strong></h4><p>Meet all your chromatography requirements with Waters chromatography systems, including our dependability and flexibility ranges of HPLC systems, performance range of UPLC systems, and our purification and specialty systems.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_ACQUITY_Q_Da_II_Mass_Detector_The_Perfect_Partner_Designed_for_compatibility_with_your_chromatography_1042adecb0.jpg" alt="Waters ACQUITY QDa II Mass Detector: The Perfect Partner. Designed for compatibility with your chromatography." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_ACQUITY_Q_Da_II_Mass_Detector_The_Perfect_Partner_Designed_for_compatibility_with_your_chromatography_1042adecb0.jpg 189w," sizes="100vw" width="1299" height="1074"></p><h3><strong>Effortless Integration</strong></h3><h4><strong>Achieve more with flexible software solutions</strong></h4><p>Process, Interpret, visualize, and compare the most complex data, and turn it into meaningful information quickly and simply. With integrated optical and mass detector data processing workflows, you can also analyze mass spectral data in the same way as you do photo diode array (PDA) data.</p><p>The ACQUITY QDa II Mass Detector is fully compatible with Masslynx™ Software and its suite of data processing application managers. Empower™ Software, our industry-leading chromatography data software platform is also fully compatible providing the ultimate flexibility.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_ACQUITY_Q_Da_II_Mass_Detector_Effortless_Integration_Achieve_more_with_flexible_software_solutions_4fd6e9f0d8.jpg" alt="Waters ACQUITY QDa II Mass Detector: Effortless Integration. Achieve more with flexible software solutions." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_ACQUITY_Q_Da_II_Mass_Detector_Effortless_Integration_Achieve_more_with_flexible_software_solutions_4fd6e9f0d8.jpg 245w," sizes="100vw" width="1397" height="422"></p><h4><strong>EMPOWER CHROMATOGRAPHY DATA SYSTEM (CDS)</strong></h4><p>Simplifying the way you collect, manage, and report chromatography test results is critical to your lab efficiency. With a suite of flexible functionalities that grows to meet your changing quality, business, and laboratory needs, Empower CDS has been purposefully designed to help you address your most demanding chromatographic, regulatory, and networking challenges.</p><h4><strong>EMPOWER LAB MANAGEMENT SYSTEM (LMS)</strong></h4><p>Automating your lab workflow, from sample creation to data archival, is critical for maintaining data integrity and enhancing productivity. Manage your data all from a single, simple dashboard for an integrated approach to your product lifecycle management so you can reduce transcription errors, increase efficiency, and maximize data durability.</p><h4><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1544"><strong>waters_connect™</strong></a><strong> SYSTEM MONITORING</strong></h4><p>Monitor all Empower Software-controlled chromatography systems remotely, at any time, from anywhere. Dynamically plan laboratory activities, monitor the status of your laboratory and maximize productivity. Troubleshoot and respond to errors faster, increasing system uptime.</p><h3><strong>Identify More in Released Glycan Analysis</strong></h3><h4><strong>Unlock the full potential of your QC glycan testing</strong></h4><p>While non-MS methods offer routine QC capabilities, they fall short in delivering the detailed characterization, crucial for biopharmaceutical development. The ACQUITY QDa II Mass Detector with extended mass range revolutionizes routine analysis, offering accurate QC monitoring of N-glycan species with speed and precision. Coupled with Waters chromatography systems, enjoy enhanced MS response with uniform charge state for accurate quantitation, enabling scrutiny of released N-glycan profiles in under 40 minutes per sample. Complement fluorescence (FLR) detection and embrace reproducible, quantitative separation for rapid decision-making.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_ACQUITY_Q_Da_II_Mass_Detector_Selected_Ion_Recording_SIR_chromatogram_of_doubly_charged_components_of_a_glycan_sample_Highlighted_additional_components_identified_s_a_result_of_the_extended_mass_range_ac0160e74d.jpg" alt="Waters ACQUITY QDa II Mass Detector: Selected Ion Recording (SIR) chromatogram of doubly charged components of a glycan sample. Highlighted additional components identified s a result of the extended mass range." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_ACQUITY_Q_Da_II_Mass_Detector_Selected_Ion_Recording_SIR_chromatogram_of_doubly_charged_components_of_a_glycan_sample_Highlighted_additional_components_identified_s_a_result_of_the_extended_mass_range_ac0160e74d.jpg 238w," sizes="100vw" width="1347" height="883"></p><h3><strong>Unparalleled Robustness for More Qualitative and Quantitative Performance</strong></h3><h4><strong>Reduce the risk of genotoxic impurities formation in drug manufacturing</strong></h4><p data-start="0" data-end="296">Support risk assessment through routine monitoring of excipients and raw materials in drug manufacturing. Accessible, regulatory compliant-ready LC-MS solutions provide an efficient and cost-effective approach in mitigating the risk of impurity formation during the manufacture of drug product.</p><p data-start="298" data-end="768">Nitrite, a critical risk factor in N-Nitrosamine formation, presents as an impurity in pharmaceutical excipients, often in parts per million (ppm). The ACQUITY QDa II Mass Detector is a robust and reliable solution for routine analysis of nitrite in excipients. With automated resolution, tuning, and calibration during start-up, the ACQUITY QDa II Mass Detector eliminates the need for analyst intervention, ensuring seamless operation and precise results every time.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_ACQUITY_Q_Da_II_Mass_Detector_Over_29_days_of_rigorous_testing_it_flawlessly_executed_approximately_6000_injections_with_minimal_downtime_02a496f422.jpg" alt="Waters ACQUITY QDa II Mass Detector: Over 29 days of rigorous testing, it flawlessly executed approximately 6000 injections with minimal downtime." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_ACQUITY_Q_Da_II_Mass_Detector_Over_29_days_of_rigorous_testing_it_flawlessly_executed_approximately_6000_injections_with_minimal_downtime_02a496f422.jpg 245w," sizes="100vw" width="1185" height="529"></p><p data-start="770" data-end="1012" data-is-last-node="" data-is-only-node="">Empower CDS reporting functionality offers simple reviewing of excipient nitrite concentration within a sample batch. This allows for fast and comprehensive decision making, while ensuring compliance and data integrity within your laboratory.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_ACQUITY_Q_Da_II_Mass_Detector_Example_of_Empower_CDS_generated_data_report_for_nitrite_content_in_a_maize_starch_sample_2f106193ee.jpg" alt="Waters ACQUITY QDa II Mass Detector: Example of Empower CDS generated data report for nitrite content in a maize starch sample." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_ACQUITY_Q_Da_II_Mass_Detector_Example_of_Empower_CDS_generated_data_report_for_nitrite_content_in_a_maize_starch_sample_2f106193ee.jpg 245w," sizes="100vw" width="937" height="585"></p><h3><strong data-start="0" data-end="62">Improving Efficiency with a More Sustainable Mass Detector</strong></h3><h4><strong>Low operational costs and environmental footprint</strong></h4><p data-start="123" data-end="346"><strong>As a leading technology innovator in chromatography, mass spectrometry, and thermal analysis instruments and software, Waters shares a common mission with our customers: to leave the world a better place than we found it.</strong></p><p data-start="348" data-end="674" data-is-last-node="" data-is-only-node="">Many of our customers are actively working to address environmental sustainability in balance with the need to continually reduce operational costs. Waters has addressed these challenges by providing an instrument with low electricity consumption and BTU/hr output – lessening the need for air conditioning and lowering costs.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_ACQUITY_Q_Da_II_Mass_Detector_Improving_Efficiency_with_a_More_Sustainable_Mass_Detector_Low_operational_costs_and_environmental_footprint_a9e182ea1f.jpg" alt="Waters ACQUITY QDa II Mass Detector: Improving Efficiency with a More Sustainable Mass Detector. Low operational costs and environmental footprint." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_ACQUITY_Q_Da_II_Mass_Detector_Improving_Efficiency_with_a_More_Sustainable_Mass_Detector_Low_operational_costs_and_environmental_footprint_a9e182ea1f.jpg 245w," sizes="100vw" width="1124" height="389"></p><p><strong>*</strong>From competitor A Specification Sheet.</p><p><strong>**</strong>From competitor B Site Preparation Checklist</p><h3><strong>Unrivaled Support</strong></h3><h3><strong>Ensure your success with world-renowned services</strong></h3><p data-start="77" data-end="464" data-is-last-node="" data-is-only-node="">Waters Service and Support helps maintain peak system performance, minimize downtime, address scientific challenges, and meet compliance requirements.&nbsp;</p><p>Waters award-winning consistent quality support, professional services, and education ensure your success wherever your laboratory is located in the world. With Waters service and support offerings<strong>*</strong> for your ACQUITY QDa II Mass Detector, you can</p><h4><strong data-start="0" data-end="30">GET UP AND RUNNING QUICKLY</strong></h4><p data-start="0" data-end="235">Get the onsite training and consultation you need to integrate the ACQUITY QDa II Mass Detector into your laboratory and assist with data migration and method transfer needs with Waters Professional Services.</p><h4><strong data-start="237" data-end="276">MEET YOUR LAB’S UNIQUE REQUIREMENTS</strong></h4><p data-start="237" data-end="460">Protect your instrument investment with the comprehensive portfolio of service plans from Waters FlexCHOICE™, which provides access to the most in-depth and up-to-date knowledge of the advanced science and technologies within Waters systems.</p><h4><strong data-start="462" data-end="487">FACILITATE COMPLIANCE</strong></h4><p data-start="462" data-end="635">Simplify the process of qualification, and record-keeping so that your business can focus on delivering products to market with Waters Compliance Services – so you can meet the regulations in your industry and in the countries where you conduct business.</p><h4><strong data-start="637" data-end="671">REDUCE TOTAL COST OF OWNERSHIP</strong></h4><p data-start="637" data-end="864">FlexCAPITAL™ <strong>**</strong> is designed to support continuous laboratory operation while satisfying the budgeting challenges of a constantly shifting landscape. Minimize total cost of ownership while optimizing instrument performance and protecting your organization from security risks associated with outdated software platforms.</p><h4><strong data-start="866" data-end="903">LEVERAGE YOUR EXISTING TECHNOLOGY</strong></h4><p data-start="866" data-end="1104" data-is-last-node="" data-is-only-node="">With the FlexUP™ Technology renewal program, you can upgrade your older single quadrupole mass spectrometry system to the ACQUITY QDa II Mass Detector -- improving performance, results, and productivity while controlling costs and mitigating compliance risk.</p><p><strong>*</strong> Availability of offerings varies by country. Contact Waters or your local Waters representative for details<br><strong>**</strong> FlexCAPITAL payment plan options and availability may vary by country. Other restrictions may apply.</p>

Waters RADIAN ASAP Direct Mass Detector

Combining flexibility, ease of operation, and speed without the need for complex sample preparation, separation or extensive MS experience, the RADIAN ASAP helps you and your laboratory achieve more.

<div><div id="title-a9e634f6cb" data-locator="title-with-text"><h3><strong>The power of knowing now</strong></h3></div></div><div><div id="text-c687cac6aa" data-locator="text"><p><strong>Whether you are looking to improve your drug discovery cycle, expand your client services, or simply become more competitive in your turnaround times, integrating direct mass spectrometry (MS) analysis can drive multiple system-wide efficiencies helping to achieve your operational goals.</strong></p><p>Combining flexibility, ease of operation, and speed without the need for complex sample preparation, separation or extensive MS experience, the RADIAN ASAP helps you and your laboratory achieve more.</p><ul><li>Simple operation and data interpretation</li><li>Minimal sample preparation</li><li>No separation required</li><li>Real-time results and classification</li></ul><figure class="image"><img style="aspect-ratio:454/321;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_RADIAN_ASAP_7cfe24b23d/Waters-RADIAN-ASAP_s.webp" alt="Waters RADIAN ASAP Direct Mass Detector" width="454" height="321"></figure><h3><strong>Overview</strong></h3><div data-locator="section-container-body"><div><div><div data-locator="layoutcontainer-"><div><div id="text-6b896f6da4" data-locator="text"><ul><li>Ensure users get up and running quickly with RADIAN ASAP’s easy to learn and fully automated set up, streamlined workflow, and minimal training requirements</li><li>Minimize sample prep with direct sampling onto glass probe</li><li>Minimize the need for solvent use and disposal with no chromatography</li><li>Save time with 30 second analysis and real-time sample classification</li></ul></div></div><div><div id="text-161a2a5c01" data-locator="text"><h4><strong>Recommended Use</strong></h4><p>For rapid, easy, and low-cost analysis of liquids and solids.</p><div><div id="text-4973311325" data-locator="text"><h3 data-locator="modal-title"><strong>Compact without compromise</strong></h3><p>The RADIAN ASAP is a novel, dedicated direct analysis system specifically designed for rapid, easy and low-cost analysis of liquids and solids. Engineered using proven and robust single quadrupole mass spectrometry technology combined with the Atmospheric Pressure Solids Analysis Probe (<a target="_blank" rel="noopener noreferrer" href="https://www.waters.com/nextgen/us/en/services/instrument-services/instrument-upgrades/mass-spectrometry-ms-upgrades/atmospheric-solids-analysis-probe.html" data-di-id="di-id-70d78c77-7e033f9d">ASAP</a>), the RADIAN ASAP delivers quality and ease of use in a compact footprint.&nbsp;</p><p>This single quadrupole mass detector provides high quality mass spectral data, without the need for any special training or expertise, eliminating any need to contract out and wait for results from specialist analytical service laboratories.</p></div></div><div><div id="text-08366f2c0d" data-locator="text"><h3 data-locator="modal-title"><strong>Flexible workflow solutions in 4 simple steps</strong></h3><p>Operation of the RADIAN ASAP is simple and intuitive, allowing users to generate results with minimal or no sample preparation, making it an ideal tool for laboratories to make informed decisions. Capable of ionizing molecules directly from a liquid or solid makes the system available to a wide range of applications and workflows.</p><h4><strong>Generate results in 4 simple steps:</strong></h4><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_RADIAN_ASAP_analyza_ve_4_jednoduchych_krocich_a997bfddda/Waters-RADIAN-ASAP-analyza-ve-4-jednoduchych-krocich.jpg" alt="Waters RADIAN ASAP Direct Mass Detector: Flexible workflow solutions in 4 simple steps" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_RADIAN_ASAP_analyza_ve_4_jednoduchych_krocich_a997bfddda/thumbnail_Waters-RADIAN-ASAP-analyza-ve-4-jednoduchych-krocich.jpg 245w," sizes="100vw" width="1683" height="490"></p><h3><strong>Ideal for numerous application requirements</strong></h3><p><a target="_blank" rel="noopener noreferrer" href="https://www.waters.com/waters/nav.htm?cid=135078611" data-di-id="di-id-7f758d90-ccee23de"><strong>Rapid triage of seized drug materials for Forensics</strong></a><i>&nbsp;<strong>—</strong>&nbsp;</i>RADIAN ASAP and LiveID ensure crime labs can quickly screen samples against a library of known compounds for rapid, confident identification of illicit drugs. The sensitivity and selectivity of mass spectrometry provides confidence in detecting drugs with an easy, efficient triage workflow.</p><p><a target="_blank" rel="noopener noreferrer" href="https://www.waters.com/waters/nav.htm?cid=134528742" data-di-id="di-id-3a3c46e4-ccee23de"><strong>Assess food integrity for Food &amp; Environmental</strong></a>&nbsp;<strong>—</strong> The threat posed by food fraud has created additional demands on both the food industry and regulators to protect food consumers and maintain brand reputation. RADIAN ASAP and LiveID offer a powerful combination of mass spectrometry and chemometric modeling, allowing users to easily and efficiently screen samples and make quicker decisions.</p><p><a target="_blank" rel="noopener noreferrer" href="https://www.tainstruments.com/radian-asap-direct-mass-detector/" data-di-id="di-id-2fac456-44144a9d"><strong>Fast chemical analysis for improved formulation testing in Chemical and Materials</strong></a><i>&nbsp;<strong>—</strong>&nbsp;</i>RADIAN ASAP and IonLynx supports quality control (QC) and development labs in the chemical industry to reduce costs and increase efficiencies. Streamline workflows like fast chemical analysis for improved formulation testing or&nbsp;material release testing. Features including thermal gradient analysis are ideal for the complex samples in the chemical industry.</p><p><a target="_blank" rel="noopener noreferrer" href="https://www.waters.com/waters/nav.htm?cid=134751395" data-di-id="di-id-76921eaa-ccee23de"><strong>Discovery reaction monitoring&nbsp;for Pharma</strong></a>&nbsp;<strong>—</strong> The demand to accelerate the drug discovery and development process has never been higher.&nbsp;RADIAN ASAP provides synthetic chemists easy access to mass spectral data for near-instantaneous assessment of reaction progress and identification of purification fractions, increasing lab efficiency.</p><div><div><div><div id="text-8b0fa56c8c" data-locator="text"><p><a target="_blank" rel="noopener noreferrer" href="https://www.waters.com/waters/nav.htm?cid=134971387" data-di-id="di-id-10e51f17-ccee23de"><strong>Undergraduate teaching&nbsp;and method development&nbsp;in Academia</strong></a><strong> —&nbsp;</strong>Simplicity and ease of use makes RADIAN ASAP the ideal tool for busy academic laboratories that need a robust and reliable solution.</p><figure class="image"><img style="aspect-ratio:474/308;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_RADIAN_ASAP_2_87ddc46f15/Waters-RADIAN-ASAP-2_s.webp" alt="Waters RADIAN ASAP Direct Mass Detector" width="474" height="308"></figure><div><div id="text-a5e5e26910" data-locator="text"><h3 data-locator="modal-title"><strong>Software solutions for your data requirements</strong></h3><p><strong>RADIAN ASAP</strong> is compatible with software solutions for rapid interpretation and classification as well as automated data processing and reporting.</p><p>For customers investigating the authenticity, adulteration, and quality of food or raw materials, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=5&amp;search=liveid"><strong>LiveID</strong></a> uses statistical models to classify samples. First, authentic or verified samples are used to create and validate a statistical model. The validated model can then be used with test samples and generate live classifications with a simple yes/no answer output. LiveID can also do real time <strong>library</strong> matching workflows, where the software matches all compounds in the library against each sample analyzed, giving a score out of <strong>1000</strong>, where values close to 1000 indicate the compound of interest is likely in the sample and lower scores indicate unlikely presence in the sample.</p><p><strong>OpenLynx</strong> processing provides user customizable processing capabilities to generate automated mass confirmation reports in either pdf, printed or browser format.&nbsp;</p><p><strong>IonLynx</strong> allows users to determine levels and relative ratios of analytes of interest in complex samples to aid decision making in QC and formulation monitoring. IonLynx provides automated processing and reporting of non-chromatographic data sets, such as those generated by RADIAN ASAP.</p></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>

Products from category Single quadrupoles from Waters - page 1

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