The integration of MS Interpreter within NIST 26 provides an efficient way to evaluate fragmentation pathways and verify structural assignments for accurate-mass EI GC-MS data. Rather than relying solely on library match factors, users can directly compare measured accurate-mass spectra with proposed molecular structures, helping determine whether observed fragment ions are chemically reasonable.This workflow is particularly valuable when confirming library identifications, comparing alternative candidate structures, or evaluating user-proposed compounds. By combining accurate-mass measurements with fragmentation analysis, MS Interpreter provides an additional level of confidence during compound identification.<blockquote><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/paper/33365">You can download PDF Handout for this guide HERE</a></blockquote><h3>What is MS Interpreter?</h3>MS Interpreter is a structure-based fragmentation analysis tool integrated into the NIST Mass Spectral Library software.It enables users to:<ul><li>Compare an accurate-mass spectrum with a proposed structure.</li><li>Predict likely fragmentation pathways.</li><li>Assign elemental formulas to fragment ions.</li><li>Evaluate molecular ion accuracy.</li><li>Determine whether observed fragments are chemically plausible.</li></ul>Unlike a conventional library search, which ranks candidate compounds based primarily on spectral similarity, MS Interpreter explains why fragments appear in the spectrum.<h3>Sending Accurate-Mass Spectra from the Chromatogram Window</h3>One of the most convenient features of NIST 26 is the ability to send spectra directly from the Chromatogram Window to MS Interpreter.After chromatogram processing:<ul><li>Select the chromatographic peak of interest.</li><li>Right-click the result.</li><li>Choose Send to MS Interpreter.</li></ul>The software automatically transfers:<ul><li>the accurate-mass spectrum,</li><li>the proposed library structure,</li><li>and the associated library identification.</li></ul>The lower pane displays the measured accurate-mass spectrum, while the upper pane contains the proposed molecular structure from the library entry.This direct transfer allows immediate evaluation of how well the proposed structure explains the measured fragmentation pattern.<h3>Interpreting Fragment Ions</h3>Once the spectrum and structure have been loaded, individual fragment ions can be examined interactively.Selecting any annotated ion allows MS Interpreter to:<ul><li>calculate its elemental composition,</li><li>estimate the fragmentation pathway,</li><li>determine the mass error,</li><li>compare the theoretical and measured masses.</li></ul>For example, the molecular ion can be inspected to verify its mass accuracy. In the demonstration, the molecular ion showed an error of only 0.6 ppm, providing strong evidence that the elemental composition was correctly assigned.The same approach can then be applied to every major fragment within the spectrum.<h3>Understanding Different "Send to MS Interpreter" Options</h3>NIST 26 provides several ways to transfer information to MS Interpreter, each intended for a different purpose.Sending the lower chromatogram spectrum transfers:<ul><li>the accurate-mass spectrum,</li><li>the associated library structure.</li></ul>This is the recommended workflow for evaluating accurate-mass EI data.Sending information from the upper text section transfers only the spectrum without any structure.This option is useful when users intend to evaluate their own proposed structures rather than the library hit.Understanding the difference between these options ensures that the correct information is available for fragmentation analysis.<h3>Comparing Alternative Library Candidates</h3>The highest library match is not always the correct identification.Closely related structural isomers often produce nearly identical EI spectra, making differentiation based solely on match factors difficult.NIST 26 allows users to investigate alternative candidates by:<ul><li>opening the Library Search window,</li><li>selecting another library hit,</li><li>copying its structure,</li><li>pasting the structure into MS Interpreter,</li><li>comparing fragmentation with the measured spectrum.</li></ul>This workflow allows users to determine whether a lower-ranked candidate provides a more chemically reasonable explanation for the observed fragmentation.<h3>Copying Structures from Library Search</h3>Alternative structures can be transferred directly from the Library Search Window.The workflow is straightforward:<ul><li>Perform a library search.</li><li>Select any candidate spectrum.</li><li>Copy the molecular structure to the Windows clipboard.</li><li>Open MS Interpreter.</li><li>Paste the structure.</li></ul>The accurate-mass spectrum remains unchanged while the proposed structure is replaced, allowing direct comparison between multiple candidate molecules.This approach is especially valuable when several library hits produce similar match factors.<h3>Evaluating User-Proposed Structures</h3>MS Interpreter is not limited to library entries.Users can also evaluate completely new structures that are absent from the NIST library.The workflow consists of:<ul><li>Creating or editing a structure using an external chemical drawing program (for example ChemSketch).</li><li>Copying the structure to the Windows clipboard.</li><li>Sending the accurate-mass spectrum to MS Interpreter.</li><li>Pasting the user-generated structure into the structure window.</li></ul>The software then attempts to explain the observed fragmentation using the newly proposed molecule.This capability makes MS Interpreter particularly useful for research applications involving unknown compounds, newly synthesized molecules, degradation products, or metabolites that are not yet represented in commercial spectral libraries.<h3>Using Structure Editors Efficiently</h3>When evaluating structural variants, users rarely need to draw molecules from scratch.Instead, an existing library structure can be:<ul><li>exported to a structure editor,</li><li>modified,</li><li>copied back into MS Interpreter.</li></ul>Even relatively small structural changes—such as relocating a methyl group or modifying branching—can then be evaluated rapidly.This significantly accelerates comparison of structural hypotheses.<h3>Fragmentation Alone May Not Resolve Isomers</h3>One important conclusion demonstrated in the presentation is that accurate-mass fragmentation alone is not always sufficient to distinguish closely related isomers.Several candidate structures may generate nearly identical:<ul><li>molecular ions,</li><li>fragment ions,</li><li>fragmentation pathways.</li></ul>In these situations, additional chromatographic information becomes essential.The presenter recommends combining MS Interpreter results with:<ul><li>retention time,</li><li>preferably retention index (RI),</li><li>chromatographic behavior.</li></ul>Retention indices provide an independent identification parameter that complements accurate-mass spectral interpretation and frequently allows confident discrimination between structural isomers.<h3>Practical Applications</h3>MS Interpreter is particularly useful when:<ul><li>confirming chromatogram identifications,</li><li>evaluating lower-ranked library matches,</li><li>testing alternative structural hypotheses,</li><li>interpreting fragmentation pathways,</li><li>investigating unknown compounds,</li><li>supporting accurate-mass EI GC-MS identification,</li><li>combining fragmentation analysis with retention indices.</li></ul>Rather than replacing library searching, MS Interpreter serves as a complementary tool that helps explain why a proposed identification is chemically consistent with the observed spectrum.<h3>Summary</h3>The integration of MS Interpreter into NIST 26 significantly enhances the interpretation of accurate-mass EI GC-MS data by linking measured fragment ions directly to proposed molecular structures. Users can quickly transfer spectra from the Chromatogram Window, compare alternative library candidates, evaluate user-generated structures, and investigate fragmentation pathways without leaving the NIST environment.While accurate-mass fragmentation provides valuable structural evidence, the presentation also demonstrates that closely related isomers may still produce nearly indistinguishable spectra. For this reason, combining MS Interpreter with chromatographic information—particularly retention indices—offers the highest confidence for compound identification in routine and research GC-MS workflows.

MS Interpreter for EI Accurate Mass Data, Correlating Structure to m/z

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

Academy

Presentation

Software

Poster

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

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

James Little/Mass Spec Interpretation Services

Agilent Technologies

Technology Networks

Thermo Fisher Scientific

Waters Corporation

In response to the problems laboratories have had with helium shortages, a holistic solution was developed for predictable transition of GC/MS analysis to hydrogen carrier gas. This presentation provides an overview of several successful hydrogen implementations, including pesticides, volatile organics (VOAs), semivolatiles (SVOCs), polycyclic aromatic hydrocarbons (PAHs), flavors and fragrances (F&amp;F), and explosives.
New MassHunter with AI Peak Detection will revolutionize how labs operate by dramatically reducing turnaround time and providing globally consistent and accurate peak analysis using the latest in AI/machine learning. The new product will be announced at ASMS 2023 for subsequent release to GC/MS labs to begin using AI/machine learning to assist, automate, and accelerate their data analysis.
<blockquote>
Presenter: Anastasia A. Andrianova (GC/MS Application Scientist, Agilent Technologies, Inc.)
</blockquote>
<blockquote>
Anastasia Andrianova is a GC/MS Applications Scientist in the Mass Spectrometry Division of Agilent Technologies, located in Wilmington, Delaware. She received a Ph.D. in analytical chemistry from the University of North Dakota (Grand Forks) in 2017 and a combined masters’ and bachelor’s degree in analytical chemistry from the Moscow State University (Moscow, Russia) in 2014. Anastasia has been at Agilent Technologies since 2018. She has authored or co-authored over 30 journal articles and application notes, as well as 1 patent in the field of analytical chemistry, focusing on chromatography and mass spectrometry. Anastasia is currently working in GC/MS applications in multiple areas with a focus on food and environmental analysis.
</blockquote>
<blockquote>
Presenter: Thomas Bispham (Analytical AI/Machine Learning, Agilent Technologies, Inc.)
</blockquote>

Agilent Technologies: Revolutionize your GC/MS analysis with the power of hydrogen carrier gas and AI technology – Faster, More Reliable and Efficient Results Guaranteed!

Revolutionize your GC/MS analysis with the power of hydrogen carrier gas and AI technology – Faster, More Reliable and Efficient Results Guaranteed!

This presentation provides an overview of several successful hydrogen   implementations with New MassHunter with AI Peak Detection.

GC/MS analysis with the power of hydrogen carrier gas and AI

This meeting covers the latest trends and techniques to meet current water and environmental testing demands for emerging contaminants and evolving regulations. Our guest speakers from the water industry and environmental research and testing laboratories will share their expertise on their latest work, analytical workflows, and automation.
Join us and discover valuable insights to maximise testing productivity and instrument uptime, simplify workflows and standardise data workup.
<h3>June 27 (Day 1) Emerging contaminants</h3>
This session will explore PFAS, microplastics, untargeted screening, automation and sample preparation.
Attend the whole day or selected presentations only.
<h5>10:00 Online access opens (Streaming begins 09:30 BST/10:30 CEST)</h5>
<h5>10:30 Opening of the event, welcome and introduction</h5>
<ul>
<li>Presenter: Jeff Stubbs (Thermo Fisher Scientific)</li>
</ul>
<h5>10:50 Screening of unknowns using Thermo Scientific Orbitrap MS and Thermo Scientific Compound Discoverer software</h5>
<ul>
<li>Presenter: Janine Elliot (Scottish Environment Protection Agency)</li>
</ul>
<h5>11:20 Biotoxins, seafood safety and mass spectrometry</h5>
<ul>
<li>Presenter: Ben Maskrey (Centre of Environment, Fisheries and Aquaculture Science)</li>
</ul>
<h5>11:50 Determination of microplastics with pyrolysis and GC-MS</h5>
<ul>
<li>Presenter: Dr. Michael Soll (Frontier Lab Europe)</li>
</ul>
<h5>12:20 Break</h5>
<h5>12:40 What combustion ion chromatography sum parameter analysis can do for the analysis of PFAS</h5>
<ul>
<li>Presenter: Dr. Lewis Mark (A1-envirosciences Limited)</li>
</ul>
<h5>13:10 Use of Thermo Scientific Exploris 120 Orbitrap HRAM-LC-MS for the analysis of 47 PFAS compounds in UK waters</h5>
<ul>
<li>Presenter: John Quick (ALS Environmental Ltd.)</li>
</ul>
<h5>13:40 Workshop - new untargeted PFAS analysis workflow capabilities within Compound Discoverer software</h5>
<ul>
<li>Presenter: Frans Schoutsen (Thermo Fisher Scientific)</li>
</ul>
<h5>14:10 Break</h5>
<h5>15:10 Starting your voyage into PFAS? Tools and protocols to succeed</h5>
<ul>
<li>Presenter: Ed George (Thermo Fisher Scientific)</li>
</ul>
<h5>16:10 Workshop - new approaches in performing automation by GC (and LC)</h5>
<ul>
<li>Presenter: Dan Carrier (Thermo Fisher Scientific)</li>
</ul>
<h5>16:30 Closing of the live streaming event</h5>

Thermo Scientific: Water & Environmental Analysis User Meeting - Day 1

Water & Environmental Analysis User Meeting - Day 1

Streaming live from our Demo Centre in Hemel Hempstead | Join the complete event or the presentations of your choice only.

Focus will be given to the safety, authenticity and quality of food and beverages as well as the future of food products such as meat substitutes and alternative proteins.
This online symposium will cover:
<ul>
<li>Untargeted food analysis using different MS platforms</li>
<li>Applications of near-infrared hyperspectral imaging in food quality control</li>
<li>Applications of behavioral science in food research</li>
<li>Solid phase micro-extraction for beverage analysis</li>
<li>Challenges and opportunities in fermentation for production of alternative proteins</li>
<li>ELNs to support data management in food and beverage labs</li>
<li>Key strategies for pesticide analysis using GC-MS</li>
<li>Nutritional and toxic plant-based elemental analysis using ICP-MS</li>
</ul>
<blockquote>
Presenter: Brian Quinn, PhD (Head of Mass Spectrometry, Queen&#39;s University Belfast)
</blockquote>
<blockquote>
Presenter: Vincent Baeten, PhD (Scientific Director, Walloon Agricultural Research Centre)
</blockquote>
<blockquote>
Presenter: Michelle Niedziela, PhD (VP of Research &amp; Innovation, HCD Research)
</blockquote>
<blockquote>
Presenter: Erich Leitner, PhD (Professor, Graz University of Technology)
</blockquote>
<blockquote>
Presenter: Stefan Cretnik, PhD (Product Manager, PAL System)
</blockquote>
<blockquote>
Presenter: Theresa Liao (Content Specialist, SciNote)
</blockquote>
<blockquote>
Presenter: Wade Opperman (Manager of the Americas, SciNote)
</blockquote>
<blockquote>
Presenter: Moran Farhi, PhD (VP of Research, The Better Meat Co.)
</blockquote>
<blockquote>
Presenter: Liyan Xing, PhD (Senior Application Scientist, PerkinElmer)
</blockquote>
<blockquote>
Presenter: Anastasia Andrianova, PhD (GC/MS Applications Scientist, Agilent Technologies)
</blockquote>

Technology Networks: Advances in Food & Beverage Analysis 2023

Advances in Food & Beverage Analysis 2023

The third edition of this online symposium will provide industry and academic scientists with the opportunity to hear from experts from across the field.

How about a 20 minute coffee break along with a bite of Empower? Here you go!
What you can learn: 
<ul>
<li>What&#39;s the difference between Archive and Backup and why do you need both</li>
<li>The cheapest, the fastest, or the most definitive data management strategy is meaningless if the data is untrustworthy</li>
<li>How including a complementary archive strategy to your existing backup will not only improve efficiency, but can reduce costs and regulatory risk</li>
<li>How both approaches are viable and the business value each one can offer</li>
</ul>
Register and prepare a coffee!
<blockquote>
Presenter: Ralf Schröder (Informatics Product Marketing Europe·Waters GesmbH)
</blockquote>

Waters Corporation: Waters Informatics series #5: Archive vs Backup (Po2)

Waters Informatics series #5: Archive vs Backup (Po2)

What's the difference between Archive and Backup and why do you need both?

As scientists, we are continually looking for ways to increase productivity and automation to drive laboratory excellence. An advanced chromatography data system (CDS) can play a pivotal role in achieving these goals.
In this webinar, you’ll hear from experts about the impact their CDS has on their laboratory operations and how their choice of CDS has made their lives easier by significantly cutting data processing time and streamlining their workflows. Learn how they ensure that every single process from injecting samples to reporting final results is controlled in one secure, centralized location.
Attend this webinar to:
<ul>
<li>Learn how to accelerate data processing, reporting and reviewing to work faster
</li>
<li>Understand how to simplify your analytical workflows within your CDS to deliver ease of use
</li>
<li>Learn how to take control of your data by securing it in one location
</li>
</ul>
<blockquote>
Presenter: Laércio Fernandes (Product Market Manager, Thermo Fisher Scientific)
</blockquote>
<blockquote>
Presenter: Kayleigh Arthur (Lead Validity and Compliance Scientist, Owlstone Medical Ltd)
</blockquote>
<blockquote>
Presenter: Brian Alliston (Director, B. Alliston Limited)
</blockquote>

Technology Networks: Next-Level CDS: Boost Productivity and Simplify Operations

Next-Level CDS: Boost Productivity and Simplify Operations

The impact CDS has on laboratory operations and how choice of CDS has made lives easier.

How about a 20 minute coffee break along with a bite of Empower? Here you go!
Empower custom fields and Excel in Empower LMS - not a conflict of interest?
Excel Compliance is designed as the solution for customers operating in a regulated environment to use excel spreadsheet with confidence. It provides full audit trail that is compliant to regulatory requirements for electronic records and signatures. 
<ul>
<li>Mitigate the compliance risk of traditional uncontrolled spreadsheets and documents
</li>
<li>Enhanced compliance features such as:
<ul>
<li>authorized access control
</li>
<li>automated version control
</li>
<li>document level and cell by cell audit trails
</li>
</ul>
</li>
<li>Centralize and secure laboratory spreadsheets and documents for use in a regulated environment
</li>
</ul>
<blockquote>
Presenter: Ralf Schröder (Informatics Product Marketing Europe·Waters GesmbH)
</blockquote>

Waters Corporation: Excel and Compliance in Empower LMS

Excel and Compliance in Empower LMS

Empower custom fields and Excel in Empower LMS

The calculation of signal to noise ratio is a critical parameter during method development, method validation and routine monitoring the performance of a chromatographic method. Both Limit of Detection (LOD or LDL) and Limit of Quantitation (LOQ or LQL) are based on signal to noise ratio. Empower can calculate signal to noise ratio in many ways. While we designed this functionality in Empower to comply with pharmacopeia requirements, there are alternative methods for this calculation.
Key points of discussion will be:
<ul>
<li>Calculating Signal to Noise ratio as per USP/EP/JP Requirements</li>
<li>Calculating Signal to Noise ratio using other options within the System Suitability option</li>
<li>Calculating Signal to Noise ratio without the System Suitability Option</li>
</ul>
Please join us for a live discussion. 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, 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>

Waters Corporation: Empower Tips: Ask Me Anything About Calculating Signal to Noise Ratio

Empower Tips: Ask Me Anything About Calculating Signal to Noise Ratio

The calculation of signal to noise ratio is a critical parameter during method development, validation and monitoring the performance.

Empower Tips: Calculating Signal to Noise Ratio

The USP general chapter &lt;1220&gt; &quot;Analytical Procedure Life Cycle&quot; became official in May 2022. The adoption of this guideline makes your lab ready for the adoption of the ICH Q14 “Analytical Procedure Development” and Q2(R2) “Analytical Validation”, expected later in 2023.
These quality guidelines are relevant for both analytical development and QC testing at pharma companies. Empower and Waters solutions support all 3 steps of the guideline, namely: 
<ul>
<li>Development
</li>
<li>Validation
</li>
<li>On-going Verification
</li>
</ul>
In Part I we will describe how Empower supports Step 1 – Development through the integration with selected QbD software that enables the required DoE approach.
<blockquote>
Presnter: Andrea Gheduzzi (Principal Pharma Development Specialist)
</blockquote>

Waters Corporation: USP <1220> and ICH Q14/Q2(R2) using Empower / Part I - Development

USP <1220> and ICH Q14/Q2(R2) using Empower / Part I - Development

Development through the integration with selected QbD software that enables the required DoE approach.

USP <1220> and ICH Q14/Q2(R2) using Empower - Development

Are you using Chromeleon CDS but don’t feel like an expert just yet? Are you interested in a CDS that is intuitive and user-friendly? Whether you’re a day-to-day user or just curious about a new CDS, this is the webinar for you!
What this session covers:
<ul>
<li>Fundamentals of Chromeleon CDS</li>
<li>How to create custom reports</li>
<li>New features in Chromeleon 7.3.2 CDS</li>
<li>Benefits of upgrading from workstation to enterprise with the Ardia Platform</li>
</ul>
<blockquote>
Presenter: Seth Sheridan (Product Specialist III, Enterprise CDS, Americas, Thermo Fisher Scientific)
</blockquote>
<blockquote>
Seth is an Enterprise CDS technical specialist who has supported Thermo Fisher’s Chromeleon software for over 3 years. Prior to this, he used Chromeleon and other CDS systems in labs at DuPont, DOW, and Eurofins. He holds a B.S. in Chemistry and Biochemistry and enjoys working closely with chromatographers to solve their software issues and improve their processes.
</blockquote>

Thermo Scientific: Learn the secrets of Chromeleon CDS: Expert advice and tips

Learn the secrets of Chromeleon CDS: Expert advice and tips

Fundamentals of Chromeleon CDS. How to create custom reports. New features in Chromeleon 7.3.2 CDS. Benefits of upgrading from workstation to enterprise.

Chromeleon CDS is built for IT and compliance without compromising on user friendliness. Join this webinar to learn how easy it is to ensure data integrity, compliance, and future-proof your lab using Chromeleon CDS.
What this session covers:
<ul>
<li>Learn how Chromeleon CDS can simplify audit trail reviews</li>
<li>How to implement administrator-controlled user access to ensure data integrity and compliance with GxP and 21 CFR Part 11</li>
<li>Learn how Chromeleon CDS supports business continuity through network failure protection with 24/7 uptime</li>
<li>Understand the seamless scalability from workstation to enterprise</li>
</ul>
<blockquote>
Presenter: Seth Sheridan (Product Specialist III, Enterprise CDS, Americas, Thermo Fisher Scientific)
</blockquote>
<blockquote>
Seth is an Enterprise CDS technical specialist who has supported Thermo Fisher’s Chromeleon software for over 3 years. Prior to this, he used Chromeleon and other CDS systems in labs at DuPont, DOW, and Eurofins. He holds a B.S. in Chemistry and Biochemistry and enjoys working closely with chromatographers to solve their software issues and improve their processes.
</blockquote>

Thermo Scientific: Data integrity, compliance and IT efficiency made easy

Data integrity, compliance and IT efficiency made easy

Learn how Chromeleon CDS can simplify audit trail reviews. Understand the seamless scalability from workstation to enterprise...

GCMS webinars focusing on Software - page 16