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

Separation Science

Agilent Technologies

Thermo Fisher Scientific

SelectScience

SciY/Mestrelab Research

Waters Corporation

The scientific experience is critical to the success and efficiency of the entire laboratory ecosystem – from software and instruments to workflows and processes. Scientists need to be able to focus on their critical work, and not be burdened by challenges such as siloed data, manual processes, and old technology. It is critical that organizations keep pace with technological and scientific advancements, as those changes have a direct impact on how a lab operates.
The way that laboratory personnel need to interact with software, instruments, equipment, and systems makes a significant impact on their daily work. Access to mobile applications, barcode-driven workflows, voice control capabilities, and extended reality software provides innovative and easier ways for scientists to achieve their goals. New automation capabilities improve efficiency, eliminating manual intervention and streamlining processes and workflows in the lab. Improved tools, such as enhanced dashboards and new AI/ML capabilities, deliver knowledge from data and empower the scientist to make faster, more informed decisions. Lab software solutions built with pre-configured QA/QC capabilities provide an intuitive, easy process to execute typical scientific workflows with minimal training.
<h5>By attending this presentation you will learn about:</h5>
<ul>
<li>Novel ways to interact with LIMS - Mobile, barcode driven workflows, voice control, and extended reality</li>
<li>Delivering knowledge from data – Dashboards and data analytics, including AI/ML capabilities</li>
<li>Automation solutions - Drive Business Intelligence, eliminate manual intervention, and improve efficiency</li>
<li>Intuitive workflows – Easier, more simplified processes with pre-configured QA/QC capabilities</li>
</ul>
<blockquote>
Presenter: Nicola Gardner (Senior Manager, Product Marketing – Digital Science Solutions, Thermo Fisher Scientific)
</blockquote>
<blockquote>
As Sr. Manager, Product Marketing for the Digital Science Solutions business at Thermo Fisher Scientific, Nicola leads the marketing strategy around our product portfolio, and describes to customers how they can apply laboratory software to move towards a smarter lab and digitally transform their business. A Masters in Analytical Chemistry and a wealth of laboratory experience provides Nicola with a solid understanding of process, data, and connectivity challenges. Nicola helps to drive discussion around technology adoption to inform businesses on their digital transformation journey and to enable scientists to spend more time focusing on science.
</blockquote>

Pixabay/Photo Mix: Enhancing the scientific experience using laboratory software

Enhancing the scientific experience using laboratory software

Novel ways to interact with LIMS. Delivering knowledge from data. Automation solutions. Intuitive workflows.

The scientific experience using laboratory software

How about a 20 minute coffee break along with a bite of Empower? Here you go!
Increase the resilience of your lab operations with the Empower™ Business Continuity (BC) LAC/E™ &amp; SecureSync™.
Disaster Recovery and Business Continuity are theoretical exercises…until they aren’t.
Prepare a coffee and join!
<blockquote>
Presenter: Carsten Fischer (Informatics Product Marketing Manager·Waters Corporation)
</blockquote>
<blockquote>
Experienced Business Development Manager with a demonstrated history of working in the Research Industry. Skilled in Chemistry, Life Sciences, Strategic Planning, and Laboratory Informatics. 
</blockquote>

Waters Corporation: Empower Business Continuity (BC) LAC/E & SecureSync

Empower Business Continuity (BC) LAC/E & SecureSync

Complement your #Empower CDS with sample management, equipment inventory and data archiving.

Digital transformation is a journey driven by the desire to fundamentally improve laboratory working practices by leveraging the latest advances in technology. Whether it be a need to eliminate errors, operate more efficiently, or reach confident results faster, laboratories are focusing more than ever on software.
Designed as a scalable solution for modern, dynamic (often cloud-based) environments, the Thermo Scientific™ Ardia™ Platform brings together chromatography and mass spectrometry, connecting data and instruments, helping scientists get closer to the truth. In this webinar, discover how you can reap the benefits of a connected platform to maximize instrument utilization, streamline lab and data management, and realize true efficiency gains.
Key learning objectives
<ul>
<li>Discover how you can enable wider collaboration within your business</li>
<li>Learn how you can access, monitor and schedule instruments from a single location</li>
<li>Find out how you simplify data storage and expedite review</li>
</ul>
Who should attend?
<ul>
<li>Lab managers</li>
<li>Principle scientists</li>
<li>Technical specialists</li>
<li>MS users</li>
<li>IT managers</li>
</ul>
<blockquote>
Presenter: Peter Zipfell (Product Marketing Manager, Thermo Fisher Scientific)
</blockquote>
<blockquote>
For the past 22 years, Peter Zipfell has worked extensively with chromatography hardware and software transitioning from LC-MS method development through HPLC technical support to chromatography data systems. He joined Thermo Fisher Scientific over 13 years ago and more recently became involved as the lead for Ardia platform product marketing. His focus has always been to support Thermo Fisher customers by delivering software solutions across multiple industries to enable them to improve their current workflows and increase productivity.
</blockquote>
<blockquote>
Presenter: Kevin Schauer (Product Manager, Thermo Fisher Scientific)
</blockquote>
<blockquote>
Kevin Schauer is a molecular biologist by training and has been working with chromatography and mass spectrometry instrumentation for over 10 years. He joined Thermo Fisher Scientific five years ago as a field applications scientist where he worked with customers to better leverage the capabilities of the mass spectrometry instrumentation for their life science research. He transitioned to the Ardia platform product management team several years ago where he now works to produce software that allows users to operate more efficiently and get their work done faster.
</blockquote>
<blockquote>
Presenter: Georgina Wynne Hughes (Editorial Team, SelectScience)
</blockquote>
<blockquote>
Georgina studied at Birmingham University where she gained a BSc in Biomedical Science, and an MSc by Research in Cancer and Genomic Sciences, which focused on defective autophagy in rare neurodegenerative diseases. As a member of the Editorial team, she now plays an integral role in shaping the content on SelectScience.
</blockquote>

SelectScience: Take control of your data and instruments: Your journey starts here

Take control of your data and instruments: Your journey starts here

The Thermo Scientific Ardia Platform brings together chromatography and mass spectrometry, connecting data and instruments.

Take control of your data and instruments: Your journey

This webinar will cover the analysis of pesticides in food and highlight the productivity enhancement features available on Thermo Scientific chromatography systems.
We will look at the analysis of pesticides using GC-MS/MS with helium conservation and the use of alternative carrier gas to ensure sustainable productivity. 
Our experts will show how single software platform can optimize your pesticides analysis and drive efficiency in your laboratory for GC-, LC-, IC-, MS/MS analysis.
Dual sequence processing, where data can be merged to provide orthogonal cross confirmation of identity and increased confidence in results will be discussed.
It will also be demonstrated how the software supports SANTE analytical quality control criteria for compliant analysis.
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Presenter: Łukasz Rajski (Product Specialist, Thermo Fisher Scientific)
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Łukasz Rajski works as product application specialist at Thermo Fisher Scientific. He holds a Ph.D. in analytical chemistry. Łukasz has over 10 years of experience in pesticide residue analysis. He is an expert in the development and validation of analytical methods. Dr. Rajski works with advanced mass spectrometry techniques (both high-resolution and triple quadrupole) coupled to ultra-high performance liquid chromatography, high-performance ion chromatography, and gas chromatography. Łukasz Rajski is a co-author of numerous articles published in scientific journals with high impact factor and book chapters dedicated to pesticide residue analysis
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Presenter: Zoe Julian (Product Marketing Manager, Thermo Fisher Scientific)
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Zoe Julian is a product marketing manager for chromatography software within the CMD Software team at Thermo Fisher Scientific. With over 12 years&#39; experience of working with chromatography and mass spectrometry techniques with a background in GC and GC-MS(/MS) organic environmental analysis, she has helped many laboratories and industries improve their workflows through a unique understanding of their challenges. Transitioning to a focus on Thermo Scientific™ Chromeleon™ CDS, she has shown customers how software solutions can improve their productivity and support their day-to-day operations.
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Pixabay/DanaTentis: Sustainable productive pesticide analysis

Sustainable productive pesticide analysis

This webinar will cover the analysis of pesticides in food and highlight the productivity enhancement features available on chromatography systems.

Now that you are using the OpenLab CDS system, why are you still using Excel?
Unlock the incredible calculation potential of your system. You have run a triplicate injection of standards and would like to determine the percent recovery of your samples against the average of those standards. This session will introduce you to the method of being able to do just that within OpenLab CDS WITHOUT the use of Excel.
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Presenter: Richard Mutkoski (Laboratory Informatics Application Engineer, Agilent Technologies, Inc.)
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Richard Mutkoski has been a field representative for over 27 years for both hardware and software. In his current role as an Informatics Application Engineer, Rich presents technical solutions of the OpenLab suite of products to customers worldwide. Prior to his tenure at Agilent Rich spent 15 years in a variety of Pharma QA/QC and R&amp;D positions providing him a unique understanding of those workflows, bottlenecks and challenges.
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Agilent Technologies: Calculate Percent Recovery of Samples in OpenLab CDS

Calculate Percent Recovery of Samples in OpenLab CDS

The method of being able to do just that within OpenLab CDS WITHOUT the use of Excel.

This seminar introduces a powerful feature in OpenLab CDS: Custom Calculator.
OpenLab CDS users or chromatographers thinking of moving to OpenLab CDS from another data system can see how this unique feature allows the addition of user defined chromatography calculations directly into the OpenLab CDS data system.
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Presenter: Kathleen O&#39;Dea (Application Engineer, Agilent Technologies, Inc.)
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Kathleen O’Dea has a 20 year history with Agilent’s OpenLab products. As an Informatics Application Engineer, Kathleen has visited customers around the world in a wide variety of market areas, helping them to select and implement OpenLab software products.
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Agilent Technologies: Introducing the Custom Calculator in OpenLab CDS

Introducing the Custom Calculator in OpenLab CDS

Powerful feature in OpenLab CDS: Custom Calculator.

Are you an analyst, manager, or reviewer who needs to get work done but may not be in the lab?
Especially important today, remote access is a key feature that can increase productivity, reduce compliance costs and is a key part of a disaster recovery plan. This virtual seminar introduces options for thin client technology enabling all Masshunter, ChemStation or OpenLab CDS products to be accessed outside the lab, whether this is at from nearby desks, across sites, or from home.
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Presenter: Mike Ratto (Lab Informatics Applications Specialist, Agilent Technologies, Inc.)
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Mike Ratto has been with Agilent for 29 years as a field representative for both hardware and software products. In his current role as an Informatics Application Specialist, Mike presents technical solutions of OpenLab family of products to customers all over the world.
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Agilent Technologies: Agilent Software products and Architecture to enable work from home options

Agilent Software products and Architecture to enable work from home options

Options for thin client technology enabling all Masshunter, ChemStation or OpenLab CDS products to be accessed outside the lab.

Agilent Software products and Architecture to enable work

Are you an analyst, manager, or reviewer who follows the social distancing guidelines but need to get work done without full access to your lab?
Especially important today, Remote Access is a key feature that can increase productivity, reduce compliance costs and can be an integral part of a disaster recovery plan. This virtual seminar introduces options using “Thin Client technology which enables all Masshunter, ChemStation or OpenLab CDS products to be accessed outside the lab, whether this is at from nearby desks, across sites, or from home.
Our learning objectives during this 1 hour session are as follows:
<ul>
<li>An introduction to “Thin Client” technology
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<li>Data and instrument access options from lab, office or home with OpenLab
</li>
<li>Learn technology options that support Social Distancing in the laboratory
</li>
</ul>
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Presenter: Mike Ratto (Lab Informatics Applications Specialist, Agilent Technologies, Inc.)
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Mike Ratto has been with Agilent for 29 years as a field representative for both hardware and software products. In his current role as an Informatics Application Specialist, Mike presents technical solutions of OpenLab family of products to customers all over the world.
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Agilent Technologies: OpenLab CDS/ECM Remote Access Solutions to support Social Distancing in the Lab

OpenLab CDS/ECM Remote Access Solutions to support Social Distancing in the Lab

Options using “Thin Client technology which enables all Masshunter, ChemStation or OpenLab CDS products to be accessed outside the lab.

OpenLab CDS/ECM Remote Access Solutions

Agilent has a suite of products that help you advance your laboratory operations and meet new social distancing guidelines.
Crosslab Connect can utilize data collected in OpenLab ECM to capture lab-wide instrument utilization data and present them in dashboards helping you increase efficiency with data driven decisions concerning your instrument assets. iLab operations software is a web based lab and instrument management tool that can help you schedule and share instrument resources so only a planned amount of users can use the intended space or equipment.
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Presenter: Melissa Zeier (Applications Expert, Lab Productivity Solutions)
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Melissa has been in the drug development, testing, and laboratory services industries for approximately 15 years. She began her career in big pharma working in high throughput biomarker testing, then moved into the pre-clinical contract testing field specializing in chiral analyte method development for LC-MS/MS. Melissa transitioned to auditing GLP bioanalytical studies before exercising her expertise in the pharma and biopharma sectors as a business intelligence analyst, driving product and service development in the pre-clinical testing industry for a top 3 preclinical CRO prior to joining Agilent. Now, with Agilent, Melissa works in a presales capacity to assist with technical topics and conversations about laboratory productivity solutions. Melissa has a B.S. in Chemistry with minors in Cellular Biology and Mathematics, an M.S. in Analytical Chemistry, and an M.A. in Applied Economics.
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Presenter: Rick Chrisos (Account Manager, Agilent Technologies, Inc.)
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Rick primarily works with enterprise research administration and lab operations across the United States. Dual-wielding as a newly minted member of the Informatics Product Specialist and Team Lead for iLab Operations Software Americas, Rick is responsible for designing solutions to enable his clients to digitize their lab into a virtual landscape. Outside of his role with Agilent, Rick enjoys an active outdoor lifestyle as a “New Englander” and can often be seen accompanied by his dogs. Rick holds a B.S. in Business Administration &amp; Marketing from University of Massachusetts, Amherst.​
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Agilent Technologies: Advance Laboratory Operations by Measuring Instrument Utilization and Scheduling Assets to Meet Social Distancing

Advance Laboratory Operations by Measuring Instrument Utilization and Scheduling Assets to Meet Social Distancing

Suite of products that help you advance your laboratory operations and meet new social distancing guidelines.

Crosslab Connect and data collected in OpenLab ECM

<h4>Intro</h4>
Mnova MSChrom is a vendor agnostic desktop application for review, processing, analysis, and interrogation of LC/MS data.
<h4>Overview</h4>
Mnova MSChrom brings expert tools to the desktop user, with game changing enhancements in peak picking, spectral display, and spectral subtraction.
<h4>What to expect</h4>
<ul>
<li>Introduction of the new ‘enhanced peak picking’ algorithm</li>
<li>Instantly display the information you want to see, how you want to see it – MS Navigator</li>
<li>Subtract the background or any signal from your LC/MS experiment</li>
<li>Search and compare MS database hits</li>
<li>Automate meta-analysis, databasing, reporting with Mnova Gears</li>
</ul>
<h4>Key points</h4>
<ul>
<li>Updated functionality – Mnova MSChrom is a competitive desktop application for LC/MS</li>
<li>Extensibility – Mestrelab Research provides scripting, API and automation for heterogeneous and high throughput laboratories</li>
<li>Continuous improvement – committed to developing the capabilities that you desire</li>
</ul>
<h4>Who should attend?</h4>
Those using hyphenated MS techniques, especially LC/MS with a need to review, process and analyze data away from the instrument.
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Presenter: Gavin Shear (Business Development Manager, Mestrelab)
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Gavin brings over 20 years of experience in the software industry, including previous work with SCIEX as a Mass Spectrometry test lead, also as senior applications scientist for a major cheminformatics company.
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Gavin received his Honours degree in Chemistry at the University of Waterloo in Canada. After graduation, he experienced life as a Chemist in several industries including pharmaceutical analysis, agricultural research and oil additives. Notably, Gavin incepted the Applications Science team at ACD//Labs helping to connect scientists to emerging technologies such as computer aided structure elucidation, and high throughput laboratory automation. After a 4 year stint at mass spectrometry manufacturer SCIEX, he joins Mestrelab Research with a wealth of practical experience and enthusiasm for his work. In his spare time, Gavin is a semi-professional musician, playing several instruments, including guitars, woodwinds, and brass.
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Mestrelab Research: Advances in Processing and Analysis of Hyphenated MS Experiments

Advances in Processing and Analysis of Hyphenated MS Experiments

Description of expert tools with game changing enhancements in peak picking, spectral display, and spectral substraction using Mnova MSChrom.

GCMS webinars focusing on Software - page 17