<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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Thermo Fisher Scientific

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. 

UCTP-REFINE Lab

My main interest is the identification of organic compounds by mass spectrometry in organic mixtures.

James Little/Mass Spec Interpretation Services

Waters Sample & Collection Plate

Waters 96-well and 384-well plates are adherent to ANSI and SBS standards and are suitable for LC autosamplers and liquid handling robots.

<div><div><h4><strong>Broad selection of high-quality sample and collection plates</strong></h4></div></div><div><div><p><strong>Waters 96-well and 384-well plates are adherent to ANSI and SBS standards and are suitable for LC autosamplers and liquid handling robots. Waters plates are made from polypropylene (PP) for chemical resistance, and specialty 96-well plates with glass inserts are available for samples that are not suitable for polypropylene containers.</strong></p><h3><strong>Overview</strong></h3><div><div><div><div><div><div><ul><li>96- and 384-well collection plates and sample plates are SBS/ANSI compliant for robotic compatible systems&nbsp; &nbsp; &nbsp; &nbsp;</li><li>&nbsp;Constructed of polypropylene (PP) for chemical resistance</li><li>&nbsp;Glass inserts available for samples requiring glass surfaces</li><li>&nbsp;Heat seals and cap mats for plates and glass inserts</li></ul></div></div><div><div><h4><strong>Recommended Use</strong></h4><p>For general high-throughput LC and LC-MS work and for integration in (semi)-automated sample handling workflows.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/img_Waters_Sample_and_Collection_Plate_709693fdab.jpg" alt="imgWaters Sample &amp; Collection Plate." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_img_Waters_Sample_and_Collection_Plate_709693fdab.jpg 245w," sizes="100vw" width="1024" height="493"></p><h3><strong>Cap Mats</strong></h3><h4><strong>Silicone/PTFE &amp; Polypropylene Cap Mats</strong></h4><ul><li>Non-slit storage mats for long-term sample storage</li><li>Pre-slit silicone/PTFE and polypropylene cap mats for use in autosamplers for proper venting and sample draw accuracy with excellent resealing characteristics</li><li>Silicone/PTFE &amp; Polypropylene Cap Mats</li></ul><h3><strong>Heat Seals</strong></h3><h4><strong>Clear Polyester Heat Seals</strong></h4><ul><li>Can be used with most solvents &amp; buffers over a -80 °C to 80 °C temperature range</li><li>Requires a heat sealer to apply</li></ul><h4><strong>Aluminum Foil Heat Seals</strong></h4><ul><li>Made from a polyester/aluminum laminate</li><li>Ideal choice for long term storage to reduce evaporative loss</li><li>Aluminum layer reduces gas permeability of the seal</li><li>Can be used at temperatures from -200 °C to 90 °C</li><li>Requires a heat sealer to apply</li></ul><h4><strong>Adhesive Seals</strong></h4><ul><li>A polyolefin film with synthetic rubber adhesive</li><li>Ideal for use with protein and peptide samples and buffers</li><li>Resistant to small concentrations (0% to 30%) of polar organic solvents</li><li>Can be used at temperatures from -80 °C to 80 °C</li><li>Requires a heat sealer to apply</li></ul></div></div></div></div></div></div></div></div>

Waters CERTIFIED HPLC Vials

Reducing failed assays from unknown contaminant peaks and limiting instrument downtime from out of specification vials is a priority for your lab. Waters sample vials can help you do just that.

<div><div><h4><strong>Meet your analytical challenges with the right vial.</strong></h4></div></div><div><div><p><strong>The right vial.&nbsp;</strong><span><strong>A world of difference.</strong></span></p><p>Reducing failed assays from unknown contaminant peaks and limiting instrument downtime from out of specification vials is a priority for your lab. Waters sample vials can help you do just that.</p><p>All Waters sample vials are held to the tightest dimensional tolerances. Manufactured via a 2-, 3-, or 4-step certification process, we ensure that Waters Certified Vials meet and maintain specified vial dimensions, levels of cleanliness and adsorption properties from batch to batch.&nbsp;Find the right vial for your application and autosampler - use our <a target="_blank" rel="noopener noreferrer" href="https://find.waters.com/VialSelector/"><strong>Vial Selector</strong></a> to find your perfect match.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_CERTIFIED_Vials_118649175c.jpg" alt="Waters CERTIFIED Vials: Table 1. Vials for Routine and Advanced Analyses." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_CERTIFIED_Vials_118649175c.jpg 245w," sizes="100vw" width="1226" height="754"></p><h3><strong>Waters LCMS CERTIFIED</strong></h3><p><span><strong>✅ </strong></span>Dimensional Test</p><p><span><strong>✅ </strong></span>Septum GC Test</p><p><span><strong>✅ </strong></span>HPLC UV Test</p><p><span><strong>✅ </strong></span>MS Scan</p><ul><li>Low MS interferences from known residues &amp; polymers</li><li>For routine QC and LC-MS analysis with lower analyte concentrations from 10-100s ng/ml.</li></ul><h3><strong>Waters TruView<sup>TM</sup> LCMS CERTIFIED</strong></h3><p><span><strong>✅ </strong></span>Dimensional Test</p><p><span><strong>✅ </strong></span>Septum GC Test</p><p><span><strong>✅ </strong></span>HPLC UV Test</p><p><span><strong>✅ </strong></span>MS Scan</p><p><span><strong>✅&nbsp;</strong></span>Low Adsorption Test</p><div><div><ul><li>Lowest MS interferences from known residues &amp; polymers</li><li>For high-end LC-MS analysis and quantification of analytes with a concentration of below 1 ng/ml with reduced adsorption of polar analytes.</li></ul><h3><strong>Waters CERTIFIED</strong></h3><p><span><strong>✅ </strong></span>Dimensional Test</p><p><span><strong>✅ </strong></span>Septum GC Test</p><p><span><strong>✅ </strong></span>HPLC UV Test</p><div><div><ul><li>No UV interferences caused caused by manufacturing and packaging residues</li><li>For routine QC LC-UV analysis&nbsp;of compounds in µg/mL&nbsp;concentrations.&nbsp;</li></ul><h3><strong>MAXPEAK QuanRecovery</strong></h3><ul><li>For high recovery peptide and protein quantification workflows. Reduces sample losses due to non-specific binding (NSB) and ionic interactions.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_CERTIFIED_Vials_2_4fba532335.jpg" alt="Waters CERTIFIED Vials: Vials Shapes." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_CERTIFIED_Vials_2_4fba532335.jpg 245w," sizes="100vw" width="1261" height="617"></p><div><div><h3><strong>Control data quality risks and reduce unexpected or ghost peaks</strong></h3><p>Don’t let the presence of background noise impact your results, causing data quality risks and unexpected or ghost peaks. Background noise can come from many factors.&nbsp;One of the most important factors are vial and septa cleanliness, which introduces contamination peaks. Ghost peaks are introduced by analyte degradation that can be triggered by significant pH changes in the diluent. In this chromatogram, the top shows normal behavior, and the bottom chromatogram shows ghost peaks.</p><p>Waters Certified vials are cleanliness tested so you don’t have to worry about contaminant peaks. The TruView pH Control Vials are certified to minimize and control a pH shift away from the neutral.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_CERTIFIED_Vials_4_7749301ba1.jpg" alt="Waters CERTIFIED Vials: Prevent the appearance of unexpected peaks during LC/UV analysis with Waters LC/GC Certified Vials as a control strategy." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_CERTIFIED_Vials_4_7749301ba1.jpg 245w," sizes="100vw" width="1024" height="535"></p><h3><strong>More time on development. Less on troubleshooting</strong></h3><p>Stop losing valuable development time on troubleshooting due to analyte loss from non-specific adsorption. Waters TruView pH Control LCMS Certified Vials have the lowest adsorptive losses on the market, and you can rely on them to provide consistency from batch to batch and vial to vial. This chromatogram shows a comparison of adsorptive loss of chlorhexidine in a variety of vials.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_CERTIFIED_Vials_5_d3e42fa7f2.jpg" alt="Waters CERTIFIED Vials: Comparison of adsorptive loss of chlorhexidine acetate in a variety of vials." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_CERTIFIED_Vials_5_d3e42fa7f2.jpg 245w," sizes="100vw" width="1024" height="633"></p><div><div><h3><strong>Ideal for demanding MS work</strong></h3><p>LCMS Certified Vials are suited for analyte concentrations in the 100s ng/mL concentration. Waters LCMS Certified Vials are tested by MS scans from 250 to 1000 <i>m/z</i> with specifications set on the total ion count and presence of clusters in the high mass range. This chromatogram shows a comparison of typical MS scans of Waters LCMS Certified Vials to vials of other sources and clean solvents.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_CERTIFIED_Vials_3_4869fbf57a.jpg" alt="Waters CERTIFIED Vials: Comparing typical MS scans of Waters LCMS Certified Vials, with vials from other sources." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_CERTIFIED_Vials_3_4869fbf57a.jpg 245w," sizes="100vw" width="1024" height="406"></p><div><div><h3><strong>Stay in control of your samples' pH</strong></h3><p>The analysis of low abundance species, pH sensitive analytes or not yet well understood compound mixtures benefit from consistent and well controlled vial surfaces. The glass surface of TruView pH Control LCMS Certified Vials minimizes pH shifts away from the neutral and thus eliminates unwanted reactions and resulting ghost peaks.&nbsp;Ghost peaks are very difficult to troubleshoot.</p><p>Waters TruView pH Control LCMS Certified vials were used to analyze two compounds, drospirenone and lovastatin. The TruView pH Control LCMS Certified Vials show little to no degradant formed over the time tested. Standard glass vials showed considerable degradant formation over the same testing time with irreproducible formation of the degradant across different vials.&nbsp;</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_CERTIFIED_Vials_6_4dc330d849.jpg" alt="Waters CERTIFIED Vials: UV peak areas of lovastatin degradant across replicate vials and different vial types. Error bars indicate standard deviation for the replicate injection peak area." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_CERTIFIED_Vials_6_4dc330d849.jpg 245w," sizes="100vw" width="1024" height="605"></p><div><div><h3><strong>Reducing adsorption starts here</strong></h3><p>Inconsistent analytical results from small molecule analyte adsorption onto the surface of glass vials can be a problem at today’s low analyte concentrations. Some scientists have even experienced total analyte loss with samples stored in vials for an extended time. The vial chemistry, specifically the&nbsp;glass surface, is the major contributor to this problem.</p><p>Polar analytes&nbsp;may adsorb to the glass vial surface by polar-polar interaction and/or ion exchange mechanisms, thereby reducing the overall amount of sample in solution. TruView Certified LCMS Vials&nbsp;reduce this problem dramatically due to a stringent manufacturing process. The process yields a glass surface that has a lower concentration of free ions on the surface.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_CERTIFIED_Vials_8_064003b933.jpg" alt="Waters CERTIFIED Vials: Nortriptyline at 1 ppb concentration in several vials. The tall peak is the initial injection; the smaller peak (overlaid) is the four-hour injection. The first two chromatograms are competitor’s vials. The third chromatogram is for the Waters TruView LCMS Certified vial. " srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_CERTIFIED_Vials_8_064003b933.jpg 245w," sizes="100vw" width="1912" height="1182"></p><div><div><h3><strong>No analyte left behind</strong></h3><p>Instrument development is yielding more sensitive mass spectrometers. With more sensitive instruments, analytes can be detected at pg/mL levels. At these concentrations, understanding adsorption issues is critical for good quantitative results. We tested adsorption loss for the major manufacturers and saw high sample loss across manufacturers and clear and amber glass types – with significantly less loss with Waters TruView Autosampler Vials.</p><h4><strong>Average Analyte Loss</strong></h4><p><strong>Manufacturer: Clear Glass / Amber Glass</strong></p><ul><li><strong>Vendor A</strong>: 55% / 69%</li><li><strong>Vendor B</strong>: 25% / 25%</li><li><strong>Vendor C</strong>: 54% / 74%</li><li><strong>Vendor D</strong>: 18% / 59%</li><li><strong>Vendor E</strong>: 75% / Not tested</li><li><strong>Waters TruView LCMS Certified Vial</strong>: 1% / 6%</li></ul></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>

Waters QuanRecovery HPS Vials & Plates

 QuanRecovery Vials and Plates minimize sample losses from NSB and ionic interactions, ensuring greater confidence in results and improved assay repeatability.

<div><div id="title-b8cf3c562d" data-locator="title-with-text"><h3><strong>Reduce sample losses due to non-specific binding (NSB)</strong></h3></div></div><div><div id="text-c1d5077d21" data-locator="text"><p><strong>Successfully quantitating proteins and peptides with LC–MS is often more challenging than doing so for small molecules. Their large and complex structure requires a different approach to LC–MS method development and may also cause other unique problems like nonspecific adsorption (or nonspecific binding). Proteins and peptides in solution tend to stick to the surfaces they encounter.</strong></p><p>Autosampler-ready QuanRecovery Vials and Plates with MaxPeak High Performance Surfaces (HPS)&nbsp;are designed to enable scientists like you to meet recovery, sensitivity and reproducibility challenges in LC-MS peptide and protein quantification. By reducing sample losses from non-specific binding (NSB) and ionic interactions, QuanRecovery Vials and Plates provide your lab greater confidence in analytical results and fewer long-term assay repeatability problems.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Quan_Recovery_HPS_Vials_and_Plates_Quan_Recovery_Vials_and_Plates_with_Max_Peak_HPS_ed65a9e3fe.jpg" alt="Waters QuanRecovery HPS Vials &amp; Plates: QuanRecovery Vials &amp; Plates with MaxPeak HPS." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Quan_Recovery_HPS_Vials_and_Plates_Quan_Recovery_Vials_and_Plates_with_Max_Peak_HPS_ed65a9e3fe.jpg 234w," sizes="100vw" width="1024" height="682"></p><div data-locator="section-container-body"><div><div><div data-locator="layoutcontainer-"><div><div id="text-b5ef0a0cdd" data-locator="text"><div><div id="text-62116091dc" data-locator="text"><h3 data-locator="modal-title"><strong>Improved LC-MS analysis of peptides and proteins</strong></h3><p>It can be difficult to predict peptide losses due to non-specific binding and ionic interactions, as losses can be dependent on many characteristics, including pI and hydrophobicity. Demonstrated here are the recovery of four different peptides.&nbsp;The recovery of desmopressin is not affected by the sample container, while glucagon, insulin, and melittin suffer varying losses due to non-specific binding and ionic interactions in the glass and standard polypropylene containers.&nbsp;</p><p>Only QuanRecovery Vials and Plates with MaxPeak HPS protect these peptides from loss, enabling you to achieve higher recovery and improved repeatability.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Quan_Recovery_vialky_a_platicka_pro_lepsi_analyzy_proteinu_a_peptidu_caa551b7f1/Waters-QuanRecovery-vialky-a-platicka-pro-lepsi-analyzy-proteinu-a-peptidu_l.webp" alt="Waters QuanRecovery HPS Vials &amp; Plates: A comparison of the recovery of four peptides prepared in a typical LC-MS diluent and stored in various sample containers." width="1074" height="466"></p></div></div></div></div></div></div></div></div></div></div><div><div id="text-455dc5902f" data-locator="text"><h3 data-locator="modal-title"><strong>Enhanced recovery and sensitivity at high and low sample concentrations</strong></h3><p>Biomolecule sample losses are a problem at low concentrations. However, non-specific binding and ionic interactions can also cause losses at higher concentrations. Such losses not only negatively impact the assay sensitivity, they also compromise the reproducibility, precision, and accuracy of the analysis. QuanRecovery Vials and Plates with MaxPeak HPS protect your sample, ensuring improved analytical results.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Quan_Recovery_HPS_Vials_and_Plates_Improved_recovery_and_sensitivity_at_high_and_low_sample_concentrations_with_Quan_Recovery_Plates_2816689528.jpg" alt="Waters QuanRecovery HPS Vials &amp; Plates: Improved recovery and sensitivity at high and low sample concentrations with QuanRecovery Plates." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Quan_Recovery_HPS_Vials_and_Plates_Improved_recovery_and_sensitivity_at_high_and_low_sample_concentrations_with_Quan_Recovery_Plates_2816689528.jpg 221w," sizes="100vw" width="1024" height="724"></p><h3><strong>Overview</strong></h3><div data-locator="section-container-body"><div><div><div data-locator="layoutcontainer-"><div><div id="text-9f8f97fb02" data-locator="text"><ul><li>For large molecule LC-MS bioanalysts who need the ultimate sensitivity, reproducibility and sample stability over multiple analyses.</li><li>Improve detection limits and analysis reproducibility for peptide and protein quantification with these low adsorption plates and vials.</li><li>Designed for LC-MS analysis in autosampler ready formats with low residual volumes in 700 µL 96-well plate and 300 µL sample vial formats.</li><li>Increase analyte recovery, sensitivity and reproducibility by minimizing analyte/surface interactions that can lead to sample losses with MaxPeak High Performance Surfaces (HPS).</li><li>Suitable for workflows with ACQUITY Premier Systems and Columns.</li></ul></div></div><div><div id="text-b5ef0a0cdd" data-locator="text"><h3><strong>Recommended Use</strong></h3><p>To minimize sample losses due to non-specific binding (NSB) and ionic interactions.</p></div></div></div></div></div></div></div></div>

Products from category Vial, caps, septa from Waters - page 1

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