<p><strong>Researchers</strong><span><strong>&nbsp;</strong></span><strong>Tereza Nešporová and Jaroslava Večerková from Brno's </strong><span><strong>RECETOX</strong></span><strong> explain why failures are also a valuable part of gaining knowledge, how they study the effects of chemical substances on the hormonal system, and why they apply their professional insights to their everyday lives.</strong></p><h5><strong>How did you get involved in research at RECETOX?&nbsp;</strong></h5><p><span><strong>Jaroslava:</strong></span> <span>I actually joined RECETOX by chance during my follow-up Master's studies in Environmental Chemistry, back when Professor Holoubek was still leading the institute. I wrote my thesis under Klára Hilscherová and simply stayed here ever since, except for a break during maternity leave. I have been part of her team the whole time, focusing on endocrine disruptors.&nbsp;What has changed over the years is the focus of our research. We used to study surface waters, particularly the presence of substances with endocrine-disrupting potential and their effects on organisms. Today, the research has shifted more toward humans and the interactions between chemical substances and the endocrine system.&nbsp;</span></p><p><span><strong>Tereza:</strong></span><strong> </strong><span>I came from a completely different field. I studied molecular biology and worked on chronic lymphocytic leukemia for my Master's thesis at CEITEC. I used genetic engineering methods such as CRISPR/Cas9 for gene editing—activating, suppressing, or completely removing genes.&nbsp;At the time, Klára Hilscherová’s group needed to create cellular models with increased production of deiodinase enzymes, which I still work on today. I had heard only positive things about the team, and when I finished my Master's degree, I wanted to move beyond my original field. The connection between hormones and neurodevelopment attracted me, and RECETOX became the obvious choice.&nbsp;</span></p><h5><strong>So you are in the same research team. How do you collaborate?&nbsp;</strong></h5><p><span><strong>Tereza:</strong></span><strong> </strong><span>We sit in the same office. And that’s probably the main thing (laughs).&nbsp;</span></p><p><span><strong>Jaroslava:</strong></span> <span>We discuss things a lot. Some mechanisms repeat across experiments, so we talk about how each of us evaluates data and why. We inspire each other, even though we do not directly collaborate on the same laboratory work.&nbsp;</span></p><h5><strong>How does your work differ?&nbsp;</strong></h5><p><span><strong>Tereza:</strong></span><strong> </strong><span>Our team is highly interconnected. We all work on developing assays for detecting endocrine-disrupting substances, specifically those affecting thyroid hormones. However, each of us focuses on a different part of the system.&nbsp;I focus on deiodinase enzymes, which regulate the activation and deactivation of hormones. Recently, I have been spending more time analyzing data and designing experiments than working directly in the laboratory.&nbsp;</span></p><p><span><strong>Jaroslava:</strong></span><strong> </strong><span>Within the team, I mainly participate in testing different types of samples—from individual chemicals and mixtures to real environmental samples such as household dust—using the assays mentioned above.&nbsp;It is important to note that chemicals can affect the hormonal system at different levels. They can bind to or block nuclear receptors, affect hormone transport in the bloodstream, or interfere with hormone metabolism. In the past, only one part of this process was monitored. Today, we aim to cover the full spectrum of these interactions.&nbsp;</span></p><p><span><strong>Tereza:</strong></span><strong> </strong><span>And that is crucial. A substance may appear negative in one test, yet affect another part of the system, producing a significant impact on the organism. That is why current research focuses on the entire range of possible mechanisms.&nbsp;</span></p><h5><strong>Why did you choose endocrine disruptors as your research topic?&nbsp;</strong></h5><p><span><strong>Jaroslava:</strong></span> <span>For me, it was more or less a coincidence while choosing my thesis topic. But it turned out to be a fascinating area, so I stayed with it.&nbsp;</span></p><p><span><strong>Tereza:</strong></span> <span>I had been interested in it for a long time. I also like that our work has a concrete outcome—we develop tests that can realistically be used in decision-making regarding the safety of chemical substances. Compared to my previous research, I feel this work has a much more direct application.&nbsp;</span></p><h5><strong>What about your PhD studies?&nbsp;</strong></h5><p><span><strong>Jaroslava:</strong></span><strong> </strong><span>My PhD studies are currently on hold. After maternity leave, I returned as a laboratory technician, and my project work gradually shifted away from my original doctoral topic.&nbsp;</span></p><p><span><strong>Tereza:</strong></span><strong> </strong><span>I am currently in the fourth year of my PhD studies. I also completed a research stay in Germany, where I learned to work with neuronal cells.&nbsp;As part of my studies, I focus mainly on deiodinases—the enzymes that act as the “on and off switches” of thyroid hormones. We are developing a test that can measure the effects of chemical substances on their activity.&nbsp;In addition, we are now studying how these substances affect neurons and their development, because proper thyroid hormone levels are crucial for nervous system development.&nbsp;</span></p><h5><strong>What is the most challenging aspect of laboratory work?&nbsp;</strong></h5><p><span><strong>Tereza:</strong></span><strong> </strong><span>Probably unpredictability. Cells do not always grow as expected, instruments have their bad days, and human error also plays a role. The important thing is to document all mistakes and complications and learn from them.&nbsp;</span></p><p><span><strong>Jaroslava:</strong></span> <span>I agree with Tereza. The biggest challenge is unpredictability. Cells are living systems and do not always behave the same way.&nbsp;</span></p><h5><strong>Can a career in science be combined with parenthood?&nbsp;</strong></h5><p><span><strong>Jaroslava:</strong></span> <span>At RECETOX, definitely. There is a great deal of flexibility, and managers are very supportive. When necessary, it is possible to work from home. We help each other a lot within the team.&nbsp;</span></p><p><span><strong>Tereza:</strong></span> <span>It also depends on the type of work and whether it can be planned according to your needs. Our team collaborates closely and tries to help one another whenever necessary. That is key. And when needed, data analysis and manuscript writing can also be done from home.&nbsp;</span></p><h5><strong>Is your work more routine or highly varied?&nbsp;</strong></h5><p><span><strong>Jaroslava:</strong></span> <span>Very varied. Laboratory work alternates with computer-based work. We are constantly learning new things. It is definitely not repetitive or boring, and that is what I enjoy about it.&nbsp;</span></p><p><span><strong>Tereza:</strong></span> <span>The only routine in my work is taking care of cell cultures. Otherwise, the work is constantly changing. That is also what I enjoy most about it.&nbsp;</span></p><h5><strong>What are the biggest challenges in your work?&nbsp;</strong></h5><p><span><strong>Jaroslava:</strong></span> <span>Data evaluation. Measuring something is one thing; evaluating and interpreting it correctly is another.&nbsp;</span></p><p><span><strong>Tereza:</strong></span> <span>Implementing new methods. And also those moments when you do everything correctly according to a published protocol, yet the results still do not match expectations.&nbsp;In science, you have to learn to accept that not everything works the first time. The important thing is not to give up, to continue optimizing, and to keep hoping for success.&nbsp;</span></p><h5><strong>What role should open science play?&nbsp;</strong></h5><p><span><strong>Tereza:</strong></span><strong> </strong><span>A huge one. If we had access to detailed protocols and original datasets, it would save enormous amounts of time and money during the implementation and optimization of new methods. Scientific papers often omit details that are actually critical for experimental success.&nbsp;</span></p><p><span><strong>Jaroslava:</strong></span><strong> </strong><span>It is also important to share failures. A negative result is still a result, and it can provide valuable information.&nbsp;</span></p><h5><strong>You are both mothers. Does your work influence your personal lives?&nbsp;</strong></h5><p><span><strong>Jaroslava:</strong></span><strong> </strong><span>Absolutely. For example, we pay close attention to washing fruit because of chemical treatments. I encourage my children to think about what they consume, what it contains, and where it comes from. We try to avoid plastics and consistently separate waste.&nbsp;</span></p><p><span><strong>Tereza:</strong></span> <span>Definitely. Even before having a child, I paid close attention to the composition of cosmetics, food, and other products. After becoming a parent, my caution multiplied.&nbsp;I was especially careful during pregnancy because a developing organism is most sensitive to harmful substances. Sometimes relatives raise their eyebrows at this, but when we have information firsthand, we cannot simply ignore it.&nbsp;</span></p><p><span><strong>Jaroslava:</strong></span> <span>We also pay attention to toys, clothing, and materials used in the home. It is a kind of professional deformation (laughs).&nbsp;</span></p><h5><strong>How can your research contribute from a broader perspective? How can others build upon it?&nbsp;</strong></h5><p><span><strong>Jaroslava:</strong></span> <span>We are gradually optimizing methods that may eventually be used routinely. That is probably our greatest contribution.&nbsp;</span></p><p><span><strong>Tereza:</strong></span> <span>Yes, our methods could help identify undesirable effects of substances before they reach the market, potentially leading to regulation of their production.&nbsp;</span></p><h5><strong>Would you like to continue working on this topic in the future?&nbsp;</strong></h5><p><span><strong>Jaroslava Večerková:</strong></span><strong> </strong><span>The topic of endocrine disruption is extremely interesting and very broad. The direction of research may change depending on current projects, but I would like to remain part of the team.&nbsp;</span></p><p><span><strong>Tereza Nešporová:</strong></span> <span>I am very interested in uncovering how substances affect human health, and I believe I will want to continue working in this area. I like how dynamic the research is and that it has direct practical applications. I do not mind change, but I am happy within this team and would like to stay. We work together as a well-coordinated group.&nbsp;</span></p>

Researchers Tereza Nešporová and Jaroslava Večerková: In science, we must learn to work with failure

<p><strong>Wiley, a global leader in authoritative content and research intelligence for the advancement of scientific discovery, innovation, and learning, today announced the release of the multi-format </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2461"><i><strong>NIST / EPA / NIH EI Mass Spectral Library 2026</strong></i><strong> </strong></a><strong>and </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2462"><i><strong>NIST MS/MS Spectral Library 2026</strong></i></a><strong>.</strong></p><p>Developed by the experienced mass spectrometry (MS) team at the National Institute of Standards and Technology (NIST), these databases represent the culmination of more than four decades of comprehensive evaluation and expansion, making it an essential resource for those analyzing mass spectra.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_NIST_EPA_NIH_EI_Mass_Spectral_Library_2026_af64f091bd.jpg" alt="Wiley: NIST / EPA / NIH EI Mass Spectral Library 2026" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Wiley_NIST_EPA_NIH_EI_Mass_Spectral_Library_2026_af64f091bd.jpg 111w," sizes="100vw" width="1531" height="2159"></p><h4><strong>New in the 2026 release:</strong></h4><ul><li>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2461"><i><strong>NIST/NIH/EPA EI Mass Spectral Library</strong></i></a> includes <strong>35,000+ new compounds</strong>, bringing the total to <strong>431,000+ EI (electron ionization) spectra</strong>, with expanded coverage of biologically, environmentally, and industrially relevant compounds.</li><li>The <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2462"><i><strong>NIST MS/MS Mass Spectral Library</strong></i></a> now contains <strong>3.2 million+ spectra</strong> across <strong>68,600+ compounds</strong>, spanning metabolites, drugs, pesticides, peptides, lipids, glycans, extractable and leachable compounds, surfactants, and contaminants.</li><li>The<i> <strong>GC Retention Index Library </strong></i>added over <strong>35,000 compounds</strong>, further enhancing compound identification workflows.</li><li>The underlying <strong>NIST MS Search software</strong> has also been extensively updated and now includes chromatogram analysis for GC-MS or LC-MS/MS workflows.</li><li><strong>From 2026, the EI and MS/MS libraries are available as separate products</strong>. Both can be ordered through Wiley, with bundle options available.</li></ul><p>“<i>Wiley distributes NIST EI 2026 in more instrument formats than any other NIST 2026 provider,</i>” said Graeme Whitley, Senior Director, Data Science Solutions at Wiley. “<i>In addition to the standalone NIST libraries, Wiley also offers customers the option to extend their capabilities with the </i><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/887"><i><strong>Wiley Registry</strong> </i></a><i>and </i><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/934"><i><strong>KnowItAll GC-MS</strong></i></a><i><strong> and </strong></i><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1942"><i><strong>LC-MS libraries</strong></i></a><i>, delivering broader coverage and flexibility for evolving analytical workflow needs.</i>”</p><p>The EI library is available in multiple instrumentation manufacturer formats, while the MS/MS library is provided in NIST format. Together, these libraries support high-confidence analysis across GC-MS and LC-MS workflows, helping laboratories confidently improve identification and streamline analytical processes.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Wiley_NIST_MS_MS_Mass_Spectral_Library_2026_899749d679.jpg" alt="Wiley: NIST MS/MS Mass Spectral Library 2026" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Wiley_NIST_MS_MS_Mass_Spectral_Library_2026_899749d679.jpg 110w," sizes="100vw" width="1526" height="2160"></p><h5><strong>Learn more at Wiley Science Solutions:</strong></h5><ul><li>Visit our web for more information about the <a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/solutions/technique/gc-ms/nist-epa-nih-mass-spectral-library/"><i><strong>NIST/EPA/NIH EI Mass Spectral Library 2026</strong></i></a></li><li>Visit our web for more information about the <a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/solutions/technique/lc-ms/nist-ms-ms-mass-spectral-library-2026/"><i><strong>NIST MS/MS Mass Spectral Library 2026</strong></i></a></li></ul><h5><strong>About Wiley</strong></h5><p>Wiley is a global leader in authoritative content and research intelligence for the advancement of scientific discovery, innovation, and learning. With more than 200 years at the center of the scholarly ecosystem, Wiley combines trusted publishing heritage with AI-powered platforms to transform how knowledge is discovered, accessed, and applied. From individual researchers and students to Fortune 500 R&amp;D teams, Wiley enables the transformation of scientific breakthroughs into real-world impact. From knowledge to impact—Wiley is redefining what's possible in science and learning.&nbsp;</p>

Wiley Releases NIST Mass Spectral Library 2026 in Multiple Instrument-Ready Formats

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 6th July 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you brochure by <strong>Agilent Technologies, </strong>presentation by <strong>MDCW / University of Washington </strong>and posters by <strong>Shimadzu / ASMS</strong> and <strong>Thermo Fisher Scientific</strong> <strong>/ ASMS!</strong></p><h3><strong>1. Agilent Technologies: Operational efficiency for your GC and GC/MS labs with the Agilent 8860B gas chromatography system</strong></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/br_8860b_gc_5994_9206en_agilent_7b7b766cd2.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The brochure presents the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8860B"><strong>Agilent 8860B GC system</strong></a> as a routine GC and GC/MS platform focused on operational efficiency, reliable performance, intelligent diagnostics, and sustainability. It is positioned as a next-generation GC workhorse for laboratories that need consistent, high-quality data while increasing throughput and reducing downtime. Key performance features include dual sample injection capabilities, improved repeatability for retention time and peak area, electronic pneumatics control, retention time locking for method transfer, and a built-in oven light to simplify maintenance and column installation.</p><p>A major theme is <strong>instrument intelligence</strong> through the Agilent GC Assist interface. The system provides browser-based access to instrument status, methods, sequences, logs, diagnostics, maintenance information, and help resources. Built-in tools such as early maintenance feedback, system health reporting, automated and user-initiated diagnostics, peak evaluation, and self-guided troubleshooting are designed to help laboratories detect issues early, maintain uptime, and reduce the need for expert-level intervention during routine operation.</p><p>The brochure also emphasizes <strong>sustainability and resource management</strong>. The 8860B GC includes gas and power usage reporting, method-based monitoring, alerts for abnormal gas use, and tools for detecting possible leaks or restrictions. Agilent highlights helium conservation options, including a helium conservation module that can reduce helium consumption by switching to an alternative gas during idle periods, as well as support for hydrogen and nitrogen carrier gases with built-in hydrogen safety features. These functions are presented as ways to reduce operating costs, conserve resources, and protect workflows from helium supply disruptions.</p><p>Finally, the brochure describes the broader <strong>Agilent GC ecosystem</strong> around the 8860B. The system supports multiple inlets, detectors, autosamplers, headspace sampling, single quadrupole GC/MS compatibility, OpenLab CDS, DA Express, MassHunter software, Agilent consumables, columns, and CrossLab services. Together, these elements are presented as a complete workflow for routine laboratories that need flexibility, compliance support, service coverage, method consulting, training, and long-term value from their GC investment.</p><h3><strong>2. MDCW / University of Washington: Implementing Tile-Based Fisher Ratio Analysis of GC×GC-TOFMS Data to Obtain a Master Peak Table of All Detected Analyte Compounds in Many Petroleum-Based Samples</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_9_Halvorsen_136808e314.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The presentation describes the development of a chemometric workflow for advanced fuel sample analysis using GC×GC-TOFMS data. The work was carried out by the University of Washington in collaboration with Chevron Technical Center, with the goal of improving the characterization of complex petroleum-based samples. Moving from conventional GC to comprehensive two-dimensional GC increased peak capacity and chromatographic resolution, but also created the need for more advanced methods to generate reliable peak tables across many chemically diverse fuel samples.</p><p>The key method presented is a tile-based Fisher Ratio approach implemented through <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/348"><strong>ChromaTOF Tile</strong></a><strong>.</strong> This method identifies analytes that show statistically significant concentration differences between sample classes. Instead of relying only on peak detection or manual alignment, the workflow uses chromatographic “tiles” to reduce the impact of retention-time shifting and to capture both major and trace-level components. The study included multiple fuel classes, including hydrobate, reformate, naphtha, FCC gasoline, and blanks.</p><p>Because Fisher Ratio values alone do not directly indicate whether a compound is truly detectable, the authors added a blank-based p-testing strategy. Three blank chromatograms were used to estimate background signal distributions for each tile, and confidence intervals were then applied to determine whether each detected hit was present in individual sample classes. This produced a master peak table covering 719 hits across nine fuel sample classes. The results showed good reproducibility, with only 6.3% of classifications being heterogeneous across replicates.</p><p>Overall, the presentation concludes that the tile-based workflow can generate comprehensive and reproducible peak tables with reduced user intervention, while preserving the ability to recover trace analytes in complex petroleum samples. The approach should be broadly applicable to other complex sample types and could also be adapted using chemometric metrics other than Fisher Ratio, depending on the experimental design and analytical goals.</p><h3><strong>3. Shimadzu / ASMS: Is Your Next Sip Safe? A Simple, Rapid Method for Measuring volatile PFAS in Juices.</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/TP_143_Is_Your_Next_Sip_Safe_A_Simple_Rapid_Method_for_Measuring_volatile_PFAS_in_Juices_a6ed9414c0.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Per- and polyfluoroalkyl substances (PFAS) pollution is a growing global concern due to links with adverse health effects, many of which remain poorly understood. 1 Accurate detection and quantification are therefore essential. While PFAS analysis has traditionally focused on water, attention is rapidly expanding to food and beverages, where testing remains limited despite high stakes and increasing regulations. 2 A recent PFAS lawsuit against a juice manufacturer underscored the heightened public scrutiny of PFAS in juices, placing food safety and brand reputation at risk. 3 This study presents a Headspace Solid-Phase Microextraction– Triple Quadrupole Gas Chromatography/Mass Spectrometry (HS-SPME GC/MS/MS) method for PFAS quantitation in juices. GC/MS enables analysis of volatile PFAS unsuitable for LC/MS, while HS-SPME offers rapid analysis with minimal sample preparation in complex matrices.</p><h4><strong>Methods</strong></h4><p>A volatile PFAS analysis method was developed on a <strong>Shimadzu </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8040+NX"><strong>GCMS-TQ8040 NX</strong></a> with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=AOC-6000+Plus"><strong>AOC-6000 Plus multifunctional autosampler</strong></a> equipped with a solid phase microextraction (SPME) module (Figure 1).</p><h4><strong>Results&nbsp;</strong></h4><p>The system was deemed free of contaminants and inferences. None of the target PFAS in the method blank were found in quantifiable concentration. In the study, the calibration curve for each target included at least seven calibrators. Calibration curve results showed a good linear fit for all compounds with coefficient of determination (R2 ) ≥ 0.993. The linear range and R2 of each PFAS target are shown in Table 3.</p><h4><strong>Conclusion</strong></h4><p>Overall, these results demonstrate the robustness and reliability of the method for PFAS analysis in two carton apple juices (Brands X and Y), one plastic bottled apple juice (Brand X), and a berry blend carton juice (Brand X). Given the diversity of matrices evaluated, the method may also be suitable for other beverages, including sports drinks and vitamin-enhanced waters</p><h3><strong>4. Thermo Fisher Scientific / ASMS: Enhanced sensitivity for the quantitative analysis of pesticides using a GC Orbitrap MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_004706_lsms_pesticides_exploris_gc_efs_po004706_asms2026_na_en_5f51b18742.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Detection of pesticide residues in fruits and vegetables is essential for food safety, but it can be challenging in complex, highly pigmented matrices due to interferences. Orbitrap technology provides high resolution and mass accuracy, enabling confident identification of coeluting and isobaric compounds while reducing false results. Furthermore, the FS-HRAM acquisition enables simultaneous quantitation and screening within a single analysis with the capability of retrospective data analysis, allowing laboratories to reprocess datasets for additional or emerging compounds without re-injecting samples. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2419"><strong>Orbitrap Exploris GC S mass spectrometer</strong></a><strong> </strong>features the Thermo Scientific NeverVent Advanced Electron Ionization Source (NVAEI) which offers an improved design providing enhanced sensitivity and robustness, allowing for increased instrument uptime and maximized sample throughput for rapid return on investment (ROI).</p><h4><strong>Materials and methods</strong></h4><h5><strong>Data analysis&nbsp;</strong></h5><p>Data was acquired, processed and reported using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76"><strong>Thermo Scientific Chromeleon Chromatography Data System (CDS) software</strong></a>, which provides integrated instrument control, automated workflows, and an intuitive interface for data analysis, customizable reporting, and compliant data management in accordance with FDA 21 CFR Part 11 and European Commission (EU) Annex 11. Its advanced reprocessing capability streamlines sequence setup, data review, and reporting offering the possibility to easily flag and check compliance with the current regulations.</p><p>Results Compliant analyte identification The use of HRAM-GCMS reduces the matrix interferences ensuring a confident and selective identification of analytes (Figure 1). All target compounds satisfied the SANTE criteria at the default MRL of 10 µg/kg and more than 90% were confirmed at concentrations of 1 µg/kg following the SANTE/11312/2021v2026 guidance criteria of:&nbsp;</p><ul><li>two ions were detected for each pesticide with mass accuracy ≤ 5 ppm with precursor and product ions in the extracted ion chromatograms fully overlapped,&nbsp;</li><li>due to the added value of accurate mass measurement, matching ion ratios is not necessary, however, an ion ratio (IR) deviation within ± 30% (relative) of the average of calibration standards from the same sequence was considered to provide additional support for identification</li><li>retention times (RT) within a tolerance of ± 0.1 minutes</li></ul><p>Sensitivity performance (IDL) and analytical linearity Instrument sensitivity was evaluated using calculated IDLs derived from replicate injections of low-level, matrix-matched standards. The Orbitrap Exploris GC S demonstrated detection limits at levels at or below 0.5 µg/kg for most of the investigated pesticides (Figure 2). Linear dynamic range was evaluated using matrix-matched calibration curves ranging 0.5–200 µg/kg, with each calibration level injected in triplicate. All target analytes demonstrated excellent linearity, with coefficients of determination (R²) &gt; 0.993, response factor (%RSD) values below 20% across the calibration range, and ion ratios (IRs) within ±30% of the average calibration standard values. System suitability for quantitative analysis was confirmed by calculated concentrations within ±20% of expected values and recoveries ranging from 96% to 104%. An example of calibration curve for Aldrin is shown in Figure 3.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>The results obtained in these experiments demonstrate that the Orbitrap Exploris GC S mass spectrometer equipped with NeverVent AEI ion source represents a reliable tool for analysis of pesticides in complex matrices.&nbsp;</p><ul><li>The Orbitrap Exploris GC S offers a simple approach for the multiresidue analysis of pesticides allowing for full-scan acquisition combined with high mass resolving power&nbsp;</li><li>The NeverVent AEI ion source is designed for ultra-trace concentration detection, making it ideal for challenging applications ensuring detection limits at levels at or below 0.5 µg/kg for most of the investigated pesticides&nbsp;</li><li>Confident identification of compounds can be easily achieved through i). high spectral quality, ii). high spectral fidelity, ensuring consistent spectrum independently from concentration, and iii). consistent mass accuracy irrespectively of analyte concentration and time&nbsp;</li><li>System suitability for quantitative analysis was demonstrated with R2 &gt;0.993, RF %RSD across the entire calibration curve &lt; 20, and IRs within ± 30% of the average of calibration standards, calculated amounts within 20% the expected values, and percentage recovery (%) ranging from 96 to 104.</li></ul></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 28, 2026

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RECETOX (Research Centre for Toxic Compounds in the Environment) is an independent department of the Faculty of Science of Masaryk University in Brno, which has been established in 1983. RECETOX is focused on the research and education in cross-cutting area of Environment and Health. It addresses interactions among chemicals, environment, and biological systems, including consequences at local, regional, and global levels.

RECETOX - Centrum pro výzkum toxických látek v prostředí

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Waters Empower Chromatography Data System (CDS)

Empower Chromatography Data System (CDS) has been intentionally designed to help you address your most rigorous chromatographic, regulatory, and networking challenges.

<div><div id="title-230ef9ecce" data-locator="title-with-text"><h3><strong>Elevate your chromatography with the universal language of the lab</strong></h3></div></div><div><div id="text-3b75bcd8fb" data-locator="text"><p><strong>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 Chromatography Data System (CDS) has been intentionally designed to help you address your most rigorous chromatographic, regulatory, and networking challenges.</strong></p><p>Empower CDS<strong> </strong>helps your entire laboratory operate more efficiently and securely with the industry's most advanced data acquisition, management, processing, analytics, and reporting capabilities. Easily scalable from a single workstation to an enterprise-wide network, where you can work at the bench, across sites, and even remotely with on-premises or cloud options, Empower CDS provides an environment where your records are traceable, so you always have full control of your most critical asset - your data.</p><div><div id="text-8f4122209c" data-locator="text"><h3><strong>Overview</strong></h3><div data-locator="section-container-body"><div><div><div data-locator="layoutcontainer-"><div><div id="text-07744ba23e" data-locator="text"><ul><li><strong>Store and retrieve chromatography data using an embedded, relational database</strong>; simplifying data retrieval by searching with criteria that is meaningful to you</li><li><strong>Save time, reduce manual integration, and calculate more precise peak integrations</strong> with the ApexTrack algorithm in Empower CDS</li><li><strong>Easily control</strong> Waters high-performance liquid chromatography (HPLC), UHPLC, and UPLC systems, as well as non-Waters HPLC, gas chromatography (GC), photodiode array detector (PDA), and mass spectrometry (MS) systems</li><li><strong>Achieve more enhanced detection capabilities</strong> when using Waters mass detectors or the Waters ACQUITY UPLC PDA Detector</li><li><strong>Grow seamlessly from a single workstation to an enterprise-wide system</strong> with the scalable, modular architecture in Empower CDS, which fits into the most modern and secure high-availability corporate architecture</li><li><strong>Deploy applications</strong> such as dissolution, method validation, integrated chemical structures, and polymer or size exclusion analysis</li></ul></div></div><div><div id="text-a7790dd22b" data-locator="text"><h3><strong>Recommended Use</strong></h3><p>For advanced data acquisition, management, processing, reporting, and distribution of chromatography analysis data.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Empower_Chromatography_Data_System_CDS_Operate_more_efficiently_and_securely_with_the_flexible_capabilities_of_Empower_Chromatography_Data_System_CDS_9625ca12d5.jpg" alt="Waters Empower Chromatography Data System (CDS): Operate more efficiently and securely with the flexible capabilities of Empower Chromatography Data System (CDS)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Empower_Chromatography_Data_System_CDS_Operate_more_efficiently_and_securely_with_the_flexible_capabilities_of_Empower_Chromatography_Data_System_CDS_9625ca12d5.jpg 234w," sizes="100vw" width="1024" height="682"></p><div><div id="text-f39d8a00c0" data-locator="text"><h3 data-locator="modal-title"><strong>Interface options unique to your users</strong></h3><p>Empower Software represents a fundamental shift in <strong>UPLC/UHPLC, HPLC, and LC-MS</strong> system usability. It is equipped with unique interface options designed for your lab, regardless of the task or user's skill level. When users log in, they are presented with the application that provides the appropriate workflow for them. If authorized, users can select another software interface that is suitable for their current task.</p><h5><strong>The three Empower Software applications are:</strong></h5><ul><li><strong>QuickStart</strong>&nbsp;- Collect, process, and report data from a single-window access. Use a wizard to set up methods and run assays. Navigate the entire Empower environment from one screen, including instrument control, view plotted data in real time, view raw data, and access tools to customize and print reports.</li><li><strong>Pro</strong>&nbsp;- Access to all software functions for advanced users, system administrators, or anyone who needs total control.</li><li><strong>Open Access</strong>&nbsp;- Select your method and the number of samples you need to run and get started with the click of a mouse. No chromatography experience is necessary.</li></ul><figure class="image"><img style="aspect-ratio:1024/594;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Empower_Chromatography_Data_System_CDS_The_Empower_Quick_Start_interface_uses_a_navigation_bar_to_guide_you_through_the_software_and_all_tasks_are_carried_out_in_one_window_dfe3ec8bb7.jpg" alt="Waters Empower Chromatography Data System (CDS): The Empower QuickStart interface uses a navigation bar to guide you through the software and all tasks are carried out in one window." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Empower_Chromatography_Data_System_CDS_The_Empower_Quick_Start_interface_uses_a_navigation_bar_to_guide_you_through_the_software_and_all_tasks_are_carried_out_in_one_window_dfe3ec8bb7.jpg 245w," sizes="100vw" width="1024" height="594"></figure><div><div id="text-b65d021cbc" data-locator="text"><h3 data-locator="modal-title"><strong>Ideal for data analysis</strong></h3><h5><strong>Improve data analysis workflows and information sharing across your lab with Empower Software, which helps you achieve:</strong></h5><ul><li><strong>Reliable shoulder peak detection</strong> - ApexTrack effectively detects and integrates shouldered peaks, providing more reliable detection of low-level peaks on noisy or sloping baselines for less manual manipulation and more accurate results.</li><li><strong>Automated custom calculations</strong> - Simply use a wizard to set up your parameters, like averages or % relative standard deviation (RSD). After configuring the calculation once, Empower Software automatically determines the answer when data is processed - no more data transfer, spreadsheet manipulation, or transfer errors.&nbsp;</li><li><strong>Better information sharing </strong>- Easily share information with colleagues worldwide with results and reports stored within the same database. Create combined summary reports across laboratories, instruments, and projects, regardless of where data was acquired or processed. Create PDFs or email reports, distribute methods and information electronically, access information between remote sites, and review and electronically sign off results.</li><li><strong>Fast access to information </strong>- Empower CDS has an embedded relational database, enabling you to store chromatographic results, automatically linking all metadata without manual information tracking or documentation, and better preparing you for review questions or audits. Find data fast and easily with relevant search terms and automatic time stamps of user activity - without a flat file environment, awkward naming conventions, or manual method and result versioning.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Empower_Chromatography_Data_System_CDS_9a791332d9.jpg" alt="Waters Empower Chromatography Data System (CDS): As an example of the breadth of technology that Empower offers, the software can control mass spectrometry (MS) instruments and acquire and process MS data. Spectral information from multiple detection modes can be viewed simultaneously. This enables scientists to easily perform complex analyses with minimal training, increasing lab productivity." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Empower_Chromatography_Data_System_CDS_9a791332d9.jpg 245w," sizes="100vw" width="1024" height="553"></p><div><div id="text-a10f03a0ca" data-locator="text"><h3 data-locator="modal-title"><strong>At-a-glance key chromatography data views to maximize lab resources</strong></h3><p>Empower Laboratory Analytics assembles and displays critical chromatography performance data in easy-to-view, graphical dashboards so you can focus on what’s most important―the interpretation of key information, not its collection.&nbsp;</p><p>Empower Laboratory Analytics offers a range of prebuilt dashboard types, including system summary, system usage, project usage analysis, and methods analysis. These at-a-glance dashboards let you quickly and accurately determine how laboratory resources are being used, without significant manual effort. With these dashboards, you can make evidence-based decisions on which improvements are needed to increase laboratory efficiency.&nbsp;</p><p>With Empower Laboratory Analytics, you can maximize system utilization and better manage resources. You can quickly identify training needs, error messages affecting workflows, and non-robust processing methods. With Empower Software, your lab can better plan for capital expenditures and identify opportunities to shorten run times with UPLC/UHPLC technology.</p></div></div><div><div id="text-497ef11ba3" data-locator="text"><h3 data-locator="modal-title"><strong>Monitor your chromatography system anytime, anywhere</strong></h3><h5><strong>Empower Mobile gives you wireless access to Empower Software from a tablet or smartphone, making it easier to know what’s happening in your laboratory no matter where you are to:</strong></h5><ul><li>Improve laboratory efficiency</li><li>Easily find and share results remotely</li><li>Expedite workflow for signoff on reports</li><li>Lower operating costs for system administration tasks</li><li>Reduce sample and mobile phase waste</li></ul><p>Whether you are an analyst, manager, or system administrator, this easy-to-use application, specially designed to run on mobile devices, gives you the flexibility to work on other priorities, knowing that you can use your mobile device at any time to monitor system status, perform routine system administration tasks, and review and sign off reports.</p><p>Empower Mobile is versatile and has been optimized to work with Apple iPad and iPhone and Android tablet and smartphone devices. Empower Mobile can be installed on your Empower Software network in either workgroup or enterprise configurations, all at no additional cost to you.&nbsp;</p><div><div id="text-8f9e5e7bd5" data-locator="text"><blockquote><h3><strong>Empower 3.9.0 is here</strong></h3><h5><strong>Keep your lab current with the latest Empower Software release built to enhance efficiency, productivity, and compliance readiness so you can drive better scientific and business outcomes across your organization.</strong></h5><h4><strong>With Empower 3.9.0 you can:</strong></h4><ul><li><strong>Reduce risk: </strong>Full Windows® 11 support to keep your data safe with the latest Microsoft® updates.</li><li><strong>Increase efficiency: </strong>Updates in the Review window simplify work for users when workflows require technical controls to reduce the potential for human bias.</li><li><strong>Reduce cost and effort: </strong>New Empower RapidDeploy Software option for LAC/E devices reduces the effort spent planning, preparing, and coordinating LAC/E device upgrades and significantly reduces resource constraints often encountered during upgrades — reducing upgrade costs and minimizing downtime during upgrades so you can&nbsp;keep your operations current.</li></ul><h4><a target="_blank" rel="noopener noreferrer" href="https://www.waters.com/nextgen/us/en/services/software-services/software-upgrades/empower-software-upgrade-request.html"><strong>Upgrade to the latest version!</strong></a></h4></blockquote></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>

Waters MassLynx Mass Spectrometry Software

With development largely driven by input from our extensive user base, MassLynx provides the fundamental platform to acquire, analyze, manage, and share mass spectrometry information.

<h3><strong>Our well-established MassLynx software package delivers market-leading versatility and flexibility for all application areas.</strong>&nbsp;</h3><div><div id="text-f93532e53f" data-locator="text"><p><strong>MassLynx was first pioneered to simplify interaction with mass spectrometry (MS) and has continually improved to meet changing customer needs. The result: a market-leading software solution that allows users to best leverage their MS system and harness real-time intelligence, ensure MS system performance, and more quickly convert sample data into valuable knowledge. With development largely driven by input from our extensive user base, MassLynx provides the fundamental platform to acquire, analyze, manage, and share mass spectrometry information.</strong></p><p>MassLynx Software features a <strong>21 CFR Part 11-compatible security</strong> including <strong>file encryption, audit log</strong>, and <strong>secure archival/retrieval technology</strong> with flexible security policies to meet your lab requirements. Waters also offers excellent <a target="_blank" rel="noopener noreferrer" href="https://www.waters.com/waters/nav.htm?cid=1000349" data-di-id="di-id-5aca7e0f-b105e917"><strong>service and suppor</strong>t</a> to get the system up and running – for on-time results without the stress.</p><h2><strong>MassLynx Quantitation Applications</strong></h2><div><div id="title-eb2a5ffa29" data-locator="title-with-text"><h4><strong>Streamline quantitative data acquisition and processing</strong></h4></div></div><div><div id="text-baefaeaec6" data-locator="text"><p>The rate determining step in many analyses is not data acquisition, but the speed your data can be converted into useful information.</p><p>To assist you with both application-specific data acquisition and the transformation of data into usable results, MassLynx for quantitation offers a range of <strong>application managers</strong> with specialized data processing functionalities, which eliminates the need for complex time-consuming manual data review, increasing your productivity.</p><p>The functionality of <strong>MassLynx application managers</strong> has been guided by our customers and optimized for your data analysis and processing requirements.&nbsp;</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Mass_Lynx_Quantitation_Applications_b5a284165b.jpg" alt="Waters: MassLynx Quantitation Applications." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Mass_Lynx_Quantitation_Applications_b5a284165b.jpg 245w," sizes="100vw" width="1428" height="625"></p><h3><strong>Overview</strong></h3><div data-locator="section-container-body"><div><div><div data-locator="layoutcontainer-"><div><div id="text-4b29255c4a" data-locator="text"><ul><li>A tried and well-established software package, MassLynx delivers the versatility and flexibility you require for all of your quantitation applications</li><li>MassLynx security system provides compliance ready tools to meet GxP and 21 CFR Part 11 regulations and TargetLynx XS delivers the information necessary for regulatory compliance</li><li>Inlet method editor and MS method editor allow the user to intuitively build LC-MS/MS methods for quantitative data acquisition</li><li>Auto-dwell for MRM dwell times makes it easy to optimize MRM methods to maximize points per peak and get the best quantitative performance</li><li>IntelliStart guarantees maximum system performance and usability for reproducible results</li></ul></div></div><div><div id="text-adc477d45b" data-locator="text"><h3><strong>Recommended Use</strong></h3><p>MassLynx quantitation applications streamline quantitative data acquisition and processing.</p><div><div id="title-be02784995" data-locator="title-with-text"><h2><strong>MassLynx Mass Detection Applications</strong></h2></div></div><div><div id="title-d5b484d548" data-locator="title-with-text"><h4><strong>Intuitively interact with your mass detection system with MassLynx</strong></h4></div></div><div><div id="text-0fc50dc8ea" data-locator="text"><p>The challenges of mass spectrometry (MS) analyses are often compounded by the use of several types of analytical instruments and high personnel turnover. To maintain and even increase laboratory productivity and efficiency, MassLynx Software simplifies interaction with your mass detection system. MassLynx enables users with a wide range of expertise to easily acquire high-quality mass spectral data with minimal training.</p><p>MassLynx application managers enable you to focus the power of MS on your laboratory's tasks.</p><h3><strong>Overview</strong></h3><div data-locator="section-container-body"><div><div><div data-locator="layoutcontainer-"><div><div id="text-fb3c291dd5" data-locator="text"><ul><li>MassLynx delivers the versatility and flexibility you require for all of your mass detection applications</li><li>Easy-to-use application managers enable you to simply transform mass spectral data into usable results</li><li>Intuitive setup and interaction with the mass detector guarantees optimal performance and reproducible results</li><li>Routinely using the same intuitive software provides familiarity and simplicity for more efficient workflows</li><li>Inlet method editor and MS method editor allow the user to intuitively build LC-MS methods for qualitative and quantitative data acquisition</li></ul></div></div><div><div id="text-4b89cfd965" data-locator="text"><h3><strong>Recommended Use</strong></h3><p>Masslynx Application Managers enable laboratories to confidently produce high quality results without complexity.</p><p><img style="aspect-ratio:1086/319;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Mass_Lynx_Mass_Detection_Applications_f261c2afd6.jpg" alt="Waters: MassLynx Mass Detection Applications." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Mass_Lynx_Mass_Detection_Applications_f261c2afd6.jpg 245w," sizes="100vw" width="1086" height="319"></p><div><div id="title-67851c4cd4" data-locator="title-with-text"><h2><strong>MassLynx High-Resolution Applications&nbsp;</strong></h2></div></div><div><div id="title-1688118c0d" data-locator="title-with-text"><h4><strong>Fully characterize your samples with Waters high-resolution mass spectrometry</strong></h4></div></div><div><div id="text-fc7cb897e2" data-locator="text"><p>As the power of high-resolution mass spectrometry (HRMS) allows today’s labs to obtain high quality data, the challenge is then to confidently identify and characterize components of interest.</p><p>Waters MassLynx Applications enable your lab to efficiently process and interpret HRMS data sets – whether your samples are biological, chemical, environmental, or pharmaceutical, we have a solution that meet your needs, whether it's based on gas chromatography (GC-MS) or liquid chromatography mass spectrometry (LC-MS).</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Waters_Mass_Lynx_High_Resolution_Applications_9811f2e6b9.jpg" alt="Waters: MassLynx High-Resolution Applications." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Waters_Mass_Lynx_High_Resolution_Applications_9811f2e6b9.jpg 245w," sizes="100vw" width="1422" height="594"></p><h3><strong>Overview</strong></h3><div data-locator="section-container-body"><div><div><div data-locator="layoutcontainer-"><div><div id="text-b16ee61766" data-locator="text"><ul><li>Rapidly identify metabolites with MetaboLynx XS</li><li>Achieve confident structural elucidation with MassFragment</li><li>Automate the processing of LC-MS, GC-MS, LC-MS/MS, or GC-MS/MS data with ChromaLynx</li><li>Meet quantitative and qualitative proteomics research requirements with ProteinLynx Global Server (PLGS)</li></ul></div></div><div><div id="text-1dee9a4274" data-locator="text"><h3><strong>Recommended Use&nbsp;</strong></h3><p>For identifying and characterizing data acquired using high-resolution mass spectrometry.</p></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>

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