Researchers&nbsp;Tereza Nešporová and Jaroslava Večerková from Brno's RECETOX 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.<h5>How did you get involved in research at RECETOX?&nbsp;</h5>Jaroslava: 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;Tereza: 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;<h5>So you are in the same research team. How do you collaborate?&nbsp;</h5>Tereza: We sit in the same office. And that’s probably the main thing (laughs).&nbsp;Jaroslava: 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;<h5>How does your work differ?&nbsp;</h5>Tereza: 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;Jaroslava: 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;Tereza: 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;<h5>Why did you choose endocrine disruptors as your research topic?&nbsp;</h5>Jaroslava: 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;Tereza: 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;<h5>What about your PhD studies?&nbsp;</h5>Jaroslava: 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;Tereza: 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;<h5>What is the most challenging aspect of laboratory work?&nbsp;</h5>Tereza: 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;Jaroslava: I agree with Tereza. The biggest challenge is unpredictability. Cells are living systems and do not always behave the same way.&nbsp;<h5>Can a career in science be combined with parenthood?&nbsp;</h5>Jaroslava: 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;Tereza: 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;<h5>Is your work more routine or highly varied?&nbsp;</h5>Jaroslava: 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;Tereza: 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;<h5>What are the biggest challenges in your work?&nbsp;</h5>Jaroslava: Data evaluation. Measuring something is one thing; evaluating and interpreting it correctly is another.&nbsp;Tereza: 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;<h5>What role should open science play?&nbsp;</h5>Tereza: 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;Jaroslava: It is also important to share failures. A negative result is still a result, and it can provide valuable information.&nbsp;<h5>You are both mothers. Does your work influence your personal lives?&nbsp;</h5>Jaroslava: 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;Tereza: 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;Jaroslava: We also pay attention to toys, clothing, and materials used in the home. It is a kind of professional deformation (laughs).&nbsp;<h5>How can your research contribute from a broader perspective? How can others build upon it?&nbsp;</h5>Jaroslava: We are gradually optimizing methods that may eventually be used routinely. That is probably our greatest contribution.&nbsp;Tereza: Yes, our methods could help identify undesirable effects of substances before they reach the market, potentially leading to regulation of their production.&nbsp;<h5>Would you like to continue working on this topic in the future?&nbsp;</h5>Jaroslava Večerková: 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;Tereza Nešporová: 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;

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

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 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2461">NIST / EPA / NIH EI Mass Spectral Library 2026 </a>and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2462">NIST MS/MS Spectral Library 2026</a>.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.<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"><h4>New in the 2026 release:</h4><ul><li>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2461">NIST/NIH/EPA EI Mass Spectral Library</a> includes 35,000+ new compounds, bringing the total to 431,000+ EI (electron ionization) spectra, 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">NIST MS/MS Mass Spectral Library</a> now contains 3.2 million+ spectra across 68,600+ compounds, spanning metabolites, drugs, pesticides, peptides, lipids, glycans, extractable and leachable compounds, surfactants, and contaminants.</li><li>The GC Retention Index Library added over 35,000 compounds, further enhancing compound identification workflows.</li><li>The underlying NIST MS Search software has also been extensively updated and now includes chromatogram analysis for GC-MS or LC-MS/MS workflows.</li><li>From 2026, the EI and MS/MS libraries are available as separate products. Both can be ordered through Wiley, with bundle options available.</li></ul>“Wiley distributes NIST EI 2026 in more instrument formats than any other NIST 2026 provider,” said Graeme Whitley, Senior Director, Data Science Solutions at Wiley. “In addition to the standalone NIST libraries, Wiley also offers customers the option to extend their capabilities with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/887">Wiley Registry </a>and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/934">KnowItAll GC-MS</a> and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1942">LC-MS libraries</a>, delivering broader coverage and flexibility for evolving analytical workflow needs.”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.<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"><h5>Learn more at Wiley Science Solutions:</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/">NIST/EPA/NIH EI Mass Spectral Library 2026</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/">NIST MS/MS Mass Spectral Library 2026</a></li></ul><h5>About Wiley</h5>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;

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

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!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you brochure by Agilent Technologies, presentation by MDCW / University of Washington and posters by Shimadzu / ASMS and Thermo Fisher Scientific / ASMS!<h3>1. Agilent Technologies: Operational efficiency for your GC and GC/MS labs with the Agilent 8860B gas chromatography system</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">Full PDF for download</a></li></ul><section><div><div><div><div><div><div>The brochure presents the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8860B">Agilent 8860B GC system</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.A major theme is instrument intelligence 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.The brochure also emphasizes sustainability and resource management. 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.Finally, the brochure describes the broader Agilent GC ecosystem 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.<h3>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</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">Full PDF for download</a></li></ul><section><div><div><div><div><div><div>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.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">ChromaTOF Tile</a>. 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.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.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.<h3>3. Shimadzu / ASMS: Is Your Next Sip Safe? A Simple, Rapid Method for Measuring volatile PFAS in Juices.</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">Full PDF for download</a></li></ul>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.<h4>Methods</h4>A volatile PFAS analysis method was developed on a Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8040+NX">GCMS-TQ8040 NX</a> with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=AOC-6000+Plus">AOC-6000 Plus multifunctional autosampler</a> equipped with a solid phase microextraction (SPME) module (Figure 1).<h4>Results&nbsp;</h4>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.<h4>Conclusion</h4>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<h3>4. Thermo Fisher Scientific / ASMS: Enhanced sensitivity for the quantitative analysis of pesticides using a GC Orbitrap MS</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">Full PDF for download</a></li></ul>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">Orbitrap Exploris GC S mass spectrometer</a> 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).<h4>Materials and methods</h4><h5>Data analysis&nbsp;</h5>Data was acquired, processed and reported using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76">Thermo Scientific Chromeleon Chromatography Data System (CDS) software</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.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;<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>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.<h4>Conclusions&nbsp;</h4>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;<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

Article

Product

Scientists

Presentation

Software

Poster

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

Everything from the world of analytical chemistry in one place. We connect people in solving their problems. At Labrulez you will find all the necessary information easily, quickly and clearly. Stop searching and start finding.

LabRulez

For over 200 years we have been helping people and organizations develop the skills and knowledge they need to succeed.
We develop digital education, learning, assessment, and certification solutions to help universities, businesses, and individuals move between education and employment and achieve their ambitions.

Wiley

Agilent Technologies

ACD/Labs

SelectScience

C&EN

Shimadzu Corporation

Waters Corporation

Quality is imperative throughout the entire development, validation, and final release testing of any therapeutic product. Often involving many complex and multifaceted challenges, vendors have a responsibility to ensure that their products meet defined criteria to deliver reliability and peace of mind to the end user.
In this online seminar series, software specialists will discuss how a modern chromatography data system (CDS) can provide a secure software platform from its early design, offering all the tools you need to maintain the integrity of your data, while alleviating concerns associated with regulatory audits.
If you would like to attend a webinar but are unable to join live, please do still register as all registrants will receive an on-demand link which you can use to watch the webinar after the live date.
<h3>Webinar 3. Ensuring system quality to deliver easier audits</h3>
<ul>
<li>Find out how you can prepare for an inevitable audit</li>
<li>Learn about current regulatory requirements and what this means for your lab</li>
<li>Discover expert hints and tips for an effective system review</li>
</ul>
<blockquote>
Presenter: Patrick Kenny (Software Compliance Product Manager, Thermo Fisher Scientific)
</blockquote>
<blockquote>
Patrick Kenny holds BS and MS degrees in chemistry from the University of Massachusetts Dartmouth and University of Massachusetts Amherst. Kenny spent 13 years in management and director roles in pharmaceutical laboratories. In these roles, he represented the chemistry lab in FDA, EMA, ISO, QP and customer audits. Kenny’s extensive regulated-lab management experience gives him a unique insight into the challenges lab managers face on a daily basis. He uses this knowledge to help customers best utilize their software to achieve regulatory compliance while realizing high productivity.
</blockquote>

Ensuring system quality to deliver easier audits

Find out how you can prepare for an inevitable audit. Learn about current regulatory requirements and what this means for your lab.

Accurately identifying unknowns by searching a library of GC/MS spectral data is straightforward but often yields ambiguous results. Isomeric compounds that have the same molecular formula, but different structures, can give very similar spectral signatures. In addition, peaks with co-eluting compounds can lead to inconclusive or incorrect results.
Cerno’s GC/ID data processing software utilizes an advanced mixture deconvolution algorithm and then combines information from spectral libraries, retention index (RI) data, and accurate mass formula confirmation to identify unknowns on single quadrupole mass spectrometer systems. The software automatically generates RIs for detected compounds during a single or batch run, without running separate standards. Finally, it visually highlights correct identifications among a long list of possible matches. This post acquisition software works with most commercially available GC/MS systems. 
<h3>Key Learning Objectives:</h3>
<ul>
<li>Learn how to obtain retention index automatically from your unknown sample itself</li>
<li>Learn how to obtain accurate mass and spectral accuracy on your single quadrupole GC/MS system</li>
<li>Learn how to combine multiple ID metrics and quickly come to a conclusive answer</li>
<li>Learn how to make your GC/MS analysis dramatically more productive</li>
</ul>
<h3>Who Should Attend:</h3>
<ul>
<li>Analysts and lab managers utilizing GC/MS for qualitative or semi-quantitative analysis.</li>
</ul>
<blockquote>
Presenter: Don Kuehl, PhD (VP of Product Development and Marketing, Cerno Bioscience)
</blockquote>
<blockquote>
Presenter: Ann Thayer (Contributing Editor, C&amp;EN Media Group)
</blockquote>

C&EN: GC/MS Analysis Using Automated Retention Index and Library Search

GC/MS Analysis Using Automated Retention Index and Library Search

Accurately identifying unknowns by searching a library of GC/MS spectral data is straightforward but often yields ambiguous results. 

GC/MS by Automated Retention Index and Library Search

Effective December 2022, the United States Pharmacopeia (USP) Chapter 621 Chromatography changes become valid. Is your organization prepared to navigate these changes with current and new methods? How can solutions in Empower Software Solutions help you manage these changes?
<h5>In this webinar our experts will take you through:</h5>
<ul>
<li>Updates to key formulas</li>
<li>New USP guidance for signal-to-noise ratio</li>
<li>How these changes may impact your organization</li>
</ul>
Please join us as we share how Empower Software Solutions provides what you need to elevate your methods today and tomorrow.
<blockquote>
Presenter: Neil J. Lander (Principal Product Manager, Waters Corporation)
</blockquote>
<blockquote>
Neil has worked for Waters Corporation since 1994 and has held a variety of positions including Technical Support Specialist, Technical Trainer, Manager Customer Education and currently, Principal Marketing Manager focusing on Informatics solutions. He provides internal support for Empower Chromatography Data System and is focused on developing laboratory software solutions that help organizations achieve their scientific and operational objectives. Prior to joining Waters, he was an analytical chemist where he gained experience in both the cosmetics and specialty chemical industries.
</blockquote>
<blockquote>
Presenter: Lauren Wood (Customer Success Product Owner, Waters Corporation)
</blockquote>
<blockquote>
Lauren is the Empower Customer Success Manager and is an Empower subject matter expert (SME). Lauren’s concentration is customer success through focus on the support process and defect resolution process for issues pertaining to Empower and/or 3rd party instrument drivers. Lauren liaises between customers and Marketing, Support, Engineering and CXKM to understand impact and to work with internal teams to prioritize, document, communicate, and resolve software issues. Lauren’s previous roles at Waters during her 30-year tenure have included phone support in Technical Service, Empower training in Customer Education, and Empower product management.
</blockquote>

Waters Corporation: Keeping your lab current: Leveraging Empower Software Solutions to Manage Upcoming USP Chapter 621 changes

Keeping your lab current: Leveraging Empower Software Solutions to Manage Upcoming USP Chapter 621 changes

How can solutions in Empower Software Solutions help you manage USP Chapter 621 Chromatography changes?

Empower Software for Upcoming USP Chapter 621 changes

The lab is running smoothly, but you are getting pressured to increase efficiency. You have hesitated to upgrade the lab data system; you fear it will be expensive and time consuming, and you know it will require additional funding. Getting management approval to make the change will require answers to questions that you can’t easily get. Or can you?
This webinar can prepare you for this important conversation with your manager. We interviewed two senior Agilent support and service personnel to answer questions that are frequently asked by lab managers and informatics specialists – following their recommendations will help you reduce the cost to change and focus on increasing your efficiency and security.
<h5>Key Learning Objectives:</h5>
<ul>
<li>See how updating software will improve the lab throughput</li>
<li>Learn the importance of replacing workstations with distributed systems</li>
<li>Understand the steps to reduce the overall project time·</li>
</ul>
<h5>Who Should Attend:</h5>
<ul>
<li>Lab managers and those planning migrations</li>
<li>Laboratory IT</li>
<li>Informatics specialists</li>
<li>All industries</li>
</ul>
<blockquote>
Presenter: Christopher Prater (Product Support Specialist &amp; Informatics Support Specialist, Agilent Technologies)
</blockquote>
<blockquote>
Presenter: Ryan O’Boyle (Laboratory Informatics Product Support Engineer, Agilent Technologies)
</blockquote>
<blockquote>
Presenter: Kelly McSweeney (Contributing Editor, C&amp;EN Media Group)
</blockquote>

C&EN: Three Winning Arguments to Get Management Approval for a CDS Upgrade

Three Winning Arguments to Get Management Approval for a CDS Upgrade

We interviewed two senior Agilent support and service personnel to answer questions that are frequently asked by lab managers and informatics specialists.

Three Winning Arguments to Get Approval for a CDS Upgrade

Discover how you can save hours of manual GC-MS analysis time.
High-resolution GC-MS data are information rich. As a result, analysis can be time-consuming, especially if you’re examining complex analytes. That’s where KnowItAll’s MS Expert comes in. Find out how this new system will save you time by combining fast, flexible deconvolution with reference database search into a single, automated workflow to identify components. 
<h5>In this session, discover with the help of live examples:</h5>
<ul>
<li>How the system quickly deconvolutes the GC-MS data file and automatically presents search results for each extracted component in a single shot – so you don’t need to manually search each component individually against the reference database.
</li>
<li>How unidentified components can then be sent through KnowItAll’s workflow to the patented MS Adaptive Search for further analysis to deduce structural components.
</li>
</ul>
<blockquote>
Presenter: Michelle D’Souza, Ph.D. (Product Manager, Software Products, Wiley Science Solutions)
</blockquote>
<blockquote>
Dr. D’Souza has over 15 years of experience in the management and development of spectroscopy software, including her current position as product manager for software products at Wiley Science Solutions and prior to that at Bio-Rad Laboratories, Inc. She also worked for many years in the pharmaceutical industry after obtaining a Ph.D. in chemistry from Northern Illinois University.
</blockquote>

Wiley: Automate GC-MS analysis with KnowItAll MS Expert

Automate GC-MS analysis with KnowItAll MS Expert

Discover how you can save hours of manual GC-MS analysis time.

Questions that are answered by structure elucidation and &amp; verification are integral parts of chemical R&amp;D workflows from discovery to development and manufacturing. But as scientists constantly strive to do their work faster and better, they must be careful to ensure that efficiency does not come at the cost of confidence in the determined structure.
Join us as we bring together experts from some of the industry’s leading organizations to share how they leverage software to make the most of their NMR, LC/MS, and GC/MS data and boost their structure elucidation and verification workflows.
<h5>Who won’t want to miss this symposium?</h5>
<ul>
<li>Synthetic and medicinal chemists responsible for elucidating and verifying the structures of their reaction products and by-products Natural products researchers
</li>
<li>Members of structure elucidation groups
</li>
<li>Decision makers at institutions where chemical structures need to be identified quickly and confidently
</li>
</ul>
<h3>Event Agenda</h3>
<h5>15:30-16:10 (CEST) Novartis CSI: Detectives in the Chemistry Lab</h5>
<ul>
<li>Dorina Kotoni (Associate Director/Chemical Structure Investigation Group Lead, Novartis)</li>
</ul>
<h5>16:15-16:50 (CEST) Structure Elucidation at Pfizer Sandwich</h5>
<ul>
<li>John Baker (Principal Scientist, Pfizer)</li>
</ul>
<h5>16:55-17:30 (CEST) A Chemical Characterization Workflow to Speed up Identification of Unknowns</h5>
<ul>
<li>Cindy Roberson (Principal Scientist, Medtronic)</li>
<li>Joe Buchman (Senior Chemist, Medtronic)</li>
</ul>

ACD/Labs: What's That Peak? Structure Elucidation & Verification Virtual Symposium 

What's That Peak? Structure Elucidation & Verification Virtual Symposium

What’s in my sample? Did I make what I think I made? What’s that peak?

What's That Peak? Structure Elucidation & Verification

Questions that are answered by structure elucidation and &amp; verification are integral parts of chemical R&amp;D workflows from discovery to development and manufacturing. But as scientists constantly strive to do their work faster and better, they must be careful to ensure that efficiency does not come at the cost of confidence in the determined structure.
Join us as we bring together experts from some of the industry’s leading organizations to share how they leverage software to make the most of their NMR, LC/MS, and GC/MS data and boost their structure elucidation and verification workflows.
<h5>Who won’t want to miss this symposium?</h5>
<ul>
<li>Synthetic and medicinal chemists responsible for elucidating and verifying the structures of their reaction products and by-products Natural products researchers
</li>
<li>Members of structure elucidation groups
</li>
<li>Decision makers at institutions where chemical structures need to be identified quickly and confidently
</li>
</ul>
<h3>Event Agenda</h3>
<h5>15:30-16:10 (CEST) Combined LC/MS and NMR for Automated Verification of Chemical Structures</h5>
<ul>
<li>Celine Nguyen-Van-Dau (Head of Integrated Drug Discovery (IDD) Structural Analysis team, Sanofi)</li>
</ul>
<h5>16:15-16:50 (CEST) Pharmaceutical Discovery and Development Analytical Workflows</h5>
<ul>
<li>Kevin Robbins (Associate Principle Scientist, AstraZeneca)</li>
</ul>
<h5>16:55-17:30 (CEST) Conformational Analysis of Peptidomimetic Drug Leads by NMR</h5>
<ul>
<li>Purnima Khandelwal (Senior Principal Scientist, Small Molecule Drug Discovery, Bristol Myers Squibb)</li>
</ul>
<h5>Hosted By</h5>
<ul>
<li>Sanji Bhal (Director, Marketing Communications (ACD/Labs))</li>
<li>Sarah Srokosz (Marketing Communications Specialist (ACD/Labs))</li>
</ul>

The Agilent FTIR spectrometers are versatile, innovative, and robust, providing superior quantitative and qualitative analysis of samples. With a wide range of switchable sample interfaces and high performing optics, this flexible FTIR benchtop spectrometer is an ideal tool for academic teaching labs. The MicroLab software reflects the design of the FTIR hardware – powerful, reliable, simple to use and focused on what you need – answers.
This online seminar provides a comprehensive introduction to Agilent FTIR spectrometers and MicroLab software to help customers from Academic F15Teaching Labs to facilitate their operation.
<blockquote>
Presenter: Yanqia Wang, PhD (Application Engineer, Molecular Spectroscopy, Agilent Technologies, Inc.)
</blockquote>
<blockquote>
Dr. Yanqia Wang started working for Agilent Technologies Inc. as a FTIR application Engineer in 2013, providing pre-&amp;post-sale application support. The products he covers from Bench-top FTIR microscopes to various Mobile FTIR spectrometers. Dr. Wang received his PhD of analytical chemistry from Duke University in 2004, doing dynamic IR spectroscopy research. Then he joined Fitzpatrick Center for Photonics at Duke University, doing Tissue Raman spectrometer instrumentation. Since 2007, Dr. Wang worked for Avery Dennison Corp. as a spectroscopist, providing molecular analytical support to the research &amp; development.
</blockquote>

Agilent Technologies: MicroLab Software introduction for Agilent FTIR systems

MicroLab Software introduction for Agilent FTIR systems

How Agilent FTIR spectrometers and MicroLab software to help customers from Academic F15Teaching Labs to facilitate their operation.

This webinar describes analytical methods used for screening of extractables and leachables (E&amp;L) in pharmaceutical packaging and product.
Extractables analysis was performed by Direct TD-GCMS, while leachables by liquid injection-GCMS. Identification was carried out using NIST 14 Library and Shimadzu Polymer Additives Library. Instead of time-consuming solvent extraction procedure, a simpler Direct Thermal Desorption technique is used to perform extraction of the extractable compounds from polymer packaging. The result of extractables is compared with leachables analysis result from the product contained in the packaging.
Learning Objectives:
<ul>
<li>To provide a general knowledge of Extractables and Leachables
</li>
<li>To provide a simpler solution to E&amp;L screening
</li>
</ul>
<blockquote>
Presenter: Cynthia Lahey (Assistant Manager, Shimadzu (Asia Pacific) Pte Ltd)
</blockquote>
<blockquote>
Cynthia started working with GC and GCMS in Shimadzu (Asia Pacific) in 2003, including various techniques such as headspace, SPME, thermal desorption and pyrolyzer. She has delivered numerous GC &amp; GCMS training courses, participated in international seminars, workshops and conferences as well as developed application notes for Shimadzu (Asia Pacific).
</blockquote>

Shimadzu: E&L Screening in Pharma Packaging and Product by GCMS

E&L Screening in Pharma Packaging and Product by GCMS

Analytical methods used for screening of extractables and leachables (E&L) in pharmaceutical packaging and product.

With the volume of data collected in your organization ever increasing, it is critical to understand the approaches available to you as you work to implement a data review strategy. Leveraging critical thinking to implement what is best for you and your Quality organization helps you streamline data review so you can make better decisions in a timely and efficient manner.Please join us for a live discussion as we explore this topic, with a focus on identifying areas of greatest risk to your organization and to learn more. &nbsp;As always, don’t forget to bring your Empower questions for this exclusive opportunity to ask our experts anything about Empower Software.<blockquote>Presenter: Neil Lander (Principal Product Manager, Informatics, Waters Corporation)Neil has worked for Waters Corporation since 1994 and has held a variety of positions including Technical Support Specialist, Technical Trainer, Manager Customer Education and currently, Principal Marketing Manager focusing on Informatics solutions. He provides internal support for Empower Chromatography Data System and is focused on developing laboratory software solutions that help organizations achieve their scientific and operational objectives. Prior to joining Waters, he was an analytical chemist where he gained experience in both the cosmetics and specialty chemical industries.Presenter: Fiona O'Leary (Informatics Consultant, Waters Corporation)Fiona is an experienced Empower Software and Data Integrity professional working within the EU Professional Services Team.She has ~18 years of experience with Waters, beginning with Technical Support &amp; Empower Training, moving to Empower Consultancy and Workflow Optimization in more recent years. Her focus now is on building Data Integrity into the Lab workflow, Custom Field automation and Electronic Data Review / Reporting optimization. Prior to joining Waters, Fiona spent some years in the GxP Pharmaceutical Manufacturing world, setting the scene for her current goal of helping organizations achieve their scientific and operational objectives efficiently and within compliance guidelines. She graduated from Dublin City University in 2001 with a BSc Hons. Analytical Science.</blockquote>

Waters Corporation: Empower Tips: Ask Me Anything About Implementing a Risk Based Approach to Data Review

Empower Tips: Ask Me Anything About Implementing a Risk Based Approach to Data Review

Learn how to build an effective data review strategy, reduce risk, and improve decision-making. Join us live and bring your questions about Empower Software.

GCMS webinars focusing on Software - page 22

What's That Peak? Structure Elucidation & Verification Virtual Symposium

Automate GC-MS analysis with KnowItAll MS Expert

What's That Peak? Structure Elucidation & Verification Virtual Symposium

MicroLab Software introduction for Agilent FTIR systems

Three Winning Arguments to Get Management Approval for a CDS Upgrade

Empower Tips: Ask Me Anything About Implementing a Risk Based Approach to Data Review

Keeping your lab current: Leveraging Empower Software Solutions to Manage Upcoming USP Chapter 621 changes

E&L Screening in Pharma Packaging and Product by GCMS

Ensuring system quality to deliver easier audits

GC/MS Analysis Using Automated Retention Index and Library Search

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