<p><strong>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.</strong></p><p>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.</p><blockquote><p class="cke-user_style-important"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/paper/33365"><strong>You can download PDF Handout for this guide HERE</strong></a></p></blockquote><h3><strong>What is MS Interpreter?</strong></h3><p>MS Interpreter is a structure-based fragmentation analysis tool integrated into the NIST Mass Spectral Library software.</p><p>It enables users to:</p><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><p>Unlike a conventional library search, which ranks candidate compounds based primarily on spectral similarity, MS Interpreter explains <i>why</i> fragments appear in the spectrum.</p><h3><strong>Sending Accurate-Mass Spectra from the Chromatogram Window</strong></h3><p>One of the most convenient features of NIST 26 is the ability to send spectra directly from the <strong>Chromatogram Window</strong> to MS Interpreter.</p><p>After chromatogram processing:</p><ul><li>Select the chromatographic peak of interest.</li><li>Right-click the result.</li><li>Choose <strong>Send to MS Interpreter</strong>.</li></ul><p>The software automatically transfers:</p><ul><li>the accurate-mass spectrum,</li><li>the proposed library structure,</li><li>and the associated library identification.</li></ul><p>The lower pane displays the measured accurate-mass spectrum, while the upper pane contains the proposed molecular structure from the library entry.</p><p>This direct transfer allows immediate evaluation of how well the proposed structure explains the measured fragmentation pattern.</p><h3><strong>Interpreting Fragment Ions</strong></h3><p>Once the spectrum and structure have been loaded, individual fragment ions can be examined interactively.</p><p>Selecting any annotated ion allows MS Interpreter to:</p><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><p>For example, the molecular ion can be inspected to verify its mass accuracy. In the demonstration, the molecular ion showed an error of only <strong>0.6 ppm</strong>, providing strong evidence that the elemental composition was correctly assigned.</p><p>The same approach can then be applied to every major fragment within the spectrum.</p><h3><strong>Understanding Different "Send to MS Interpreter" Options</strong></h3><p>NIST 26 provides several ways to transfer information to MS Interpreter, each intended for a different purpose.</p><p>Sending the <strong>lower chromatogram spectrum</strong> transfers:</p><ul><li>the accurate-mass spectrum,</li><li>the associated library structure.</li></ul><p>This is the recommended workflow for evaluating accurate-mass EI data.</p><p>Sending information from the <strong>upper text section</strong> transfers only the spectrum without any structure.</p><p>This option is useful when users intend to evaluate their own proposed structures rather than the library hit.</p><p>Understanding the difference between these options ensures that the correct information is available for fragmentation analysis.</p><h3><strong>Comparing Alternative Library Candidates</strong></h3><p>The highest library match is not always the correct identification.</p><p>Closely related structural isomers often produce nearly identical EI spectra, making differentiation based solely on match factors difficult.</p><p>NIST 26 allows users to investigate alternative candidates by:</p><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><p>This workflow allows users to determine whether a lower-ranked candidate provides a more chemically reasonable explanation for the observed fragmentation.</p><h3><strong>Copying Structures from Library Search</strong></h3><p>Alternative structures can be transferred directly from the <strong>Library Search Window</strong>.</p><p>The workflow is straightforward:</p><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><p>The accurate-mass spectrum remains unchanged while the proposed structure is replaced, allowing direct comparison between multiple candidate molecules.</p><p>This approach is especially valuable when several library hits produce similar match factors.</p><h3><strong>Evaluating User-Proposed Structures</strong></h3><p>MS Interpreter is not limited to library entries.</p><p>Users can also evaluate completely new structures that are absent from the NIST library.</p><p>The workflow consists of:</p><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><p>The software then attempts to explain the observed fragmentation using the newly proposed molecule.</p><p>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.</p><h3><strong>Using Structure Editors Efficiently</strong></h3><p>When evaluating structural variants, users rarely need to draw molecules from scratch.</p><p>Instead, an existing library structure can be:</p><ul><li>exported to a structure editor,</li><li>modified,</li><li>copied back into MS Interpreter.</li></ul><p>Even relatively small structural changes—such as relocating a methyl group or modifying branching—can then be evaluated rapidly.</p><p>This significantly accelerates comparison of structural hypotheses.</p><h3><strong>Fragmentation Alone May Not Resolve Isomers</strong></h3><p>One important conclusion demonstrated in the presentation is that accurate-mass fragmentation alone is not always sufficient to distinguish closely related isomers.</p><p>Several candidate structures may generate nearly identical:</p><ul><li>molecular ions,</li><li>fragment ions,</li><li>fragmentation pathways.</li></ul><p>In these situations, additional chromatographic information becomes essential.</p><p>The presenter recommends combining MS Interpreter results with:</p><ul><li>retention time,</li><li>preferably retention index (RI),</li><li>chromatographic behavior.</li></ul><p>Retention indices provide an independent identification parameter that complements accurate-mass spectral interpretation and frequently allows confident discrimination between structural isomers.</p><h3><strong>Practical Applications</strong></h3><p>MS Interpreter is particularly useful when:</p><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><p>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.</p><h3><strong>Summary</strong></h3><p>The integration of <strong>MS Interpreter</strong> into <strong>NIST 26</strong> 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.</p><p>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.</p>

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

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

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

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

News from LabRulezGCMS Library - Week 28, 2026

Article

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Presentation

Software

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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

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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

The Analytical Scientist

Agilent Technologies

Technology Networks

Waters Corporation

<p><strong>Per- and polyfluoroalkyl substances (PFASs) occur in a wide range of media. As a result, human exposure can occur via different routes, including inhalation and ingestion of drinking water and food.</strong></p>
<p>This presentation will summarize analytical methods developed in our laboratory at NC State University to determine PFAS concentrations in (1) produce grown in backyard gardens in the vicinity of a fluorochemical manufacturing plant, (2) wastewater, and (3) air in the vicinity of aeration basins of wastewater treatment plants. </p>
<p>The analytical method for produce closely follows EPA Method 1633 but was modified to enhance the recovery of short-chain PFASs, including short-chain per- and polyfluoroalkyl ether acids (PFEAs). This method targets 45 PFASs, including 13 PFEAs, and its application showed that short-chain PFEAs occur at concentrations of up to 38 ng/g as-received weight in water-rich produce grown in the vicinity of a fluorochemical manufacturing plant. For the analysis of wastewater and air, gas-chromatography-tandem mass spectrometry (GC-MS/MS) methods were developed to complement liquid chromatography-tandem mass spectrometry (LC-MS/MS) methods. Compounds amenable to GC-MS/MS analysis [primarily 6:2 fluorotelomer alcohol (6:2 FTOH)] represented a substantial fraction of the summed PFAS concentrations in both wastewater and air sampled proximal to aeration basins. Although the fraction of PFASs transferred from wastewater to air was small, PFAS concentrations in air suggest that inhalation exposure to aerosolized and volatilized PFASs can be important for workers in wastewater treatment plants.</p>
<blockquote>
<p><strong>Presenter:</strong> Detlef Knappe (Dept. of Civil, Construction, and Environmental Engineering, NC State University)</p>
</blockquote>
<blockquote>
<p>Detlef Knappe is the S. James Ellen Distinguished Professor of Civil, Construction, and Environmental Engineering at NC State University. He received his BS, MS, and PhD degrees from the Department of Civil and Environmental Engineering at the University of Illinois at Urbana-Champaign, and he joined the NC State faculty in 1996. He is the Deputy Director of NC State’s Superfund Center “Environmental and Health Effects of PFAS” and is a member of NC State’s Center for Human Health and the Environment. Detlef’s research interests broadly encompass drinking water quality and treatment. He is a member of the North Carolina Secretaries’ Science Advisory Board and serves as Associate Editor for AWWA Water Science. </p>
</blockquote>


Agilent: Analysis of Per- and Polyfluoroalkyl Substances in Different Media: Produce, Wastewater, and Air

Analysis of Per- and Polyfluoroalkyl Substances in Different Media: Produce, Wastewater, and Air

Determination of PFAS concentrations in produce from the vicinity of a fluorochemical plant, wastewater, and air near wastewater treatment plants.

PFAS in Different Media: Produce, Wastewater, and Air

<p><strong>E&amp;L compounds span a range from volatile or semi volatile to nonvolatile and elemental. No single analytical tool can analyze all E&amp;Ls. Whether you are scouting or conducting a targeted screening, suspect screening, or nontargeted screening, Agilent can help with a wide range of analytical technologies and years of expertise for the accurate identification and quantification of potential E&amp;Ls.</strong></p>
<p><strong>Register now and attend this webinar to learn:</strong></p>
<ol>
<li><p>Latest trends &amp; applications in E&amp;L analysis</p>
</li>
<li><p>Advanced GC/MS | GC/HR-MS based workflows and solutions offered by Agilent</p>
</li>
<li><p>Role of statistical analysis in extractable profiling</p>
</li>
<li><p>Regulatory landscape in E&amp;L analysis</p>
</li>
<li><p>Understanding the quantitation approach</p>
</li>
</ol>
<p>*<em>Register for all the webinars and get complementary access to The experts guide to Pharmaceutical Impurity Analysis e-book.</em></p>
<blockquote>
<p><strong>Presenter:</strong> Dr. Kuldeep Sharma (Sales Development Manager - Pharma, Agilent Technologies)</p>
</blockquote>
<blockquote>
<p>Kuldeep Sharma has over 19 years of experience in area/s of Bioanalytical research, Drug metabolism &amp; pharmacokinetics and Pharma regulatory compliance. He has accomplished PhD in Biotechnology. His professional journey covers over 12 years in Analytical research (associated with R&amp;D’s of Zydus Cadila, Lambda, Pliva and Jubilant Biosys) and last 7 years in analytical instruments sales, marketing &amp; business development. With over 21 research articles published in international Journals, He presents convention of continues learning.</p>
</blockquote>
<blockquote>
<p><strong>Presenter:</strong> Dr. Soma Dasgupta (Application Engineer - GC/MS, Agilent Technologies)</p>
</blockquote>
<blockquote>
<p>With over 17 years of extensive experience in gas chromatography, Dr. Soma has explored diverse facets of this analytical technique, addressing inquiries across various sectors, from ensuring food safety to advancing pharmaceutical analyses. Her academic journey includes doctoral research at the University of Pune, where her focus was on developing comprehensive methods for analyzing agro-chemicals in fruits and vegetables.</p>
</blockquote>
<blockquote>
<p>Previously, having served as a Field Application Specialist for three years, she honed her expertise in the practical applications of gas chromatography. Since joining Agilent Technologies, she have been an integral part of a dynamic team dedicated to providing solutions that cater to our customers&#39; analytical needs. Her specialization encompasses multi-residue method development, with a specific focus on pesticides and environmental applications, as well as expertise in identifying genotoxic impurities in pharmaceuticals.</p>
</blockquote>
<blockquote>
<p>Throughout her career, She has contributed significantly to the field, with a portfolio of more than 25 publications, application notes, and a book chapter.</p>
</blockquote>
<blockquote>
<p><strong>Presenter:</strong> Mr. Ankush Sharma (Regional Marketing Program Manager- APAC (Pharma &amp; Biopharma), Agilent Technologies)</p>
</blockquote>
<blockquote>
<p>Ankush Sharma is a seasoned professional with over 12 years of extensive experience in sales and marketing across the pharmaceutical and biopharmaceutical sectors. His professional journey commenced with a strong educational foundation, earning a Master&#39;s degree in Biotechnology. Building upon this knowledge, he furthered his academic pursuits by obtaining a Master&#39;s in Business Administration with a specialization in Sales and Marketing, demonstrating his commitment to blending scientific understanding with strategic business acumen. For the past five years, he has been an integral part of Agilent, serving as the Regional Marketing Program Manager for the India and now Asia-Pacific (APAC) region for Pharma and Biopharma Markets. </p>
</blockquote>


Agilent: Advanced GC/MS | GC/HR-MS Based Workflow for Extractable and Leachable Analysis

Advanced GC/MS | GC/HR-MS Based Workflow for Extractable and Leachable Analysis

Agilent can help with a wide range of analytical technologies and years of expertise for the accurate identification and quantification of potential E&Ls.

GC/MS | GC/HRMS for Extractables and Leachables

<p><strong>Explore the latest knowledge on the safety, authenticity and quality of food and beverages, as well as the technology that supports the critical work done to ensure the integrity of the food supply chain.</strong></p>
<h5>This online symposium will explore:</h5>
<ul>
<li><strong>Untargeted analysis techniques used to ensure food authenticity</strong></li>
<li><strong>Sample preparation techniques for food applications</strong></li>
<li><strong>Use of thermal infrared imaging for salmonella detection</strong></li>
<li><strong>Elemental analysis for food and beverage testing</strong></li>
<li><strong>Miniaturized food analysis devices</strong></li>
<li><strong>Sustainable lab consumables for food analysis</strong></li>
<li><strong>Heavy metals in processed baby food</strong></li>
<li><strong>Residual analysis using GC/MS</strong></li>
</ul>
<h3><strong>Day 1 – July 24</strong></h3>
<h5><strong>16:00 – 17:00 BST How to Use and Interpret Untargeted Testing for Food Authenticity</strong></h5>
<ul>
<li>John Points, Kate Kemsley, PhD and Catherine Frankis, PhD (Food Authenticity Network)</li>
</ul>
<h5><strong>17:00 – 17:10 BST</strong> Networking Break</h5>
<h5><strong>17:10 – 17:55 BST Beyond All Limits: Elevating the Standards of Residual Analysis with Triple Quadrupole GC/MS</strong></h5>
<ul>
<li>Joel Ferrer and Anastasia Andrianova, PhD (Agilent)</li>
</ul>
<h5><strong>17:55 – 18:00 BST</strong> Networking Break</h5>
<h5><strong>18:00 – 18:20 BST Elemental Analysis Trends and Advances in Food and Beverage Testing</strong></h5>
<ul>
<li>Nikolay Kovachev, PhD (Agilent)</li>
</ul>
<h5><strong>18:20 – 18:30 BST</strong> Networking Break</h5>
<h5><strong>18:30 – 19:10 BST The Use of Thermal Infrared Cameras for Pathogen Detection (Salmonella) on Tomato Surfaces</strong></h5>
<ul>
<li>Andy Moreno, PhD (AME Certified PCR AI Laboratories)</li>
</ul>
<h5><strong>19:10 – 19:20 BST</strong> Networking Break</h5>
<h5><strong>19:20 – 19:40 BST About the Use of Micro-SPE for an Automated and Green Sample Preparation</strong></h5>
<ul>
<li>Hans-Joachim Hübschmann, PhD (PAL System)</li>
</ul>
<h5><strong>19:40 – 19:50 BST</strong> Networking Break</h5>
<h5><strong>19:50 – 20:30 BST Driving Behaviors for Food and Beverage Breakthroughs</strong></h5>
<ul>
<li>Trevor Morones, PhD (Control Point)</li>
</ul>
<h5><strong>20:30 BST</strong> End of Day 1</h5>


Technology Networks: Advances in Food and Beverage Testing 2024

Advances in Food and Beverage Testing 2024 (Day 1)

Explore the latest knowledge on the safety, authenticity and quality of food and beverages.

<ul>
<li><p><strong>Discuss what GC-MS/MS is and what applicaitons it is used for (Dioxins, POPs, etc.)</strong></p>
</li>
<li><p><strong>Transition into an overview of APGC as a solution</strong></p>
</li>
<li><p><strong>Discuss challenges or limitations of the current GC/MS/MS technology</strong></p>
</li>
<li><p><strong>Share why using nitrogen as a carrier gas for GC/MS/MS analysis is optimal</strong></p>
</li>
</ul>
<p>Webinar Learning Objectives:</p>
<ul>
<li><p>Understanding GC-MS/MS and Its Applications:- Discuss the principles of gas chromatography-mass spectrometry (GC-MS/MS) and its role in analytical chemistry.- Explore specific applications of GC-MS/MS, including its use in detecting dioxins, persistent organic pollutants (POPs), and other environmental contaminants.</p>
</li>
<li><p>Introduction to APGC (Atmospheric Pressure Gas Chromatography):-. Provide an overview of Atmospheric Pressure Gas Chromatography (APGC) as an alternative solution to traditional GC-MS/MS.- Highlight the advantages and unique features of APGC, such as improved sensitivity, reduced matrix effects, and enhanced selectivity.</p>
</li>
<li><p>Challenges and Innovations in GC-MS/MS Technology:- Identify the current challenges and limitations faced by GC-MS/MS technology.- Discuss recent innovations and advancements aimed at overcoming these challenges.- Emphasize the importance of using nitrogen as a carrier gas for GC-MS/MS analysis, considering its inertness, availability, and compatibility with various detectors.</p>
</li>
</ul>
<blockquote>
<p><strong>Prtesenter:</strong> Frank Dorman (Senior Principal Market Development Mgr, Waters Corporation)</p>
</blockquote>
<blockquote>
<p>Frank Dorman is currently Senior Principal Market Development Manager for Waters focusing on their global environmental business and, concurrently, a Resident Scholar in the Chemistry Department at Dartmouth College in Hanover, NH where he is active in teaching analytical chemistry to undergraduates and graduate students.</p>
</blockquote>
<blockquote>
<p>In his role at Waters, Frank manages the research-focused environmental market, external collaborations, and interfaces with R&amp;D for new product development. Prior to this, Frank was an Associate Professor in the Department of Biochemistry and Molecular Biology (BMB) sat Penn State University in University Park, PA. At Penn State, Frank served as a member of the Graduate Faculty in: Biochemistry, Microbiology and Molecular Biology (BMMB), Chemistry (CHEM), Biogeochemistry (BGC) and the Forensic Science Program (FRNSC) and the Center for Molecular Toxicology and Carcinogenesis. Franks scientific interests are in gas and liquid chromatography and fundamental characterization, instrumentation and column development, as well as mass spectrometry and atomic spectroscopy as applied to trace analysis in complex sample matrices.</p>
</blockquote>
<blockquote>
<p><strong>Presenter:</strong> Sarah Dowd (Principal Mass Spectrometry Applications Specialist, Waters Corporation)</p>
</blockquote>
<blockquote>
<p>Sarah Dowd joined Waters as a mass spectrometry application specialist in 2015 after earning her PhD in analytical chemistry from the University of Illinois at Urbana Champaign.</p>
</blockquote>
<blockquote>
<p>In her eight years at Waters in the Americas application lab, Sarah has collaborated with many customers looking to expand the MS capabilities of their laboratories with Water&#39;s instruments and software. Specializing in analyses in food, environmental, and polymeric materials characterization, she has done extensive work looking at environmental contaminants with tandem quadrupole and high resolution mass spectrometers.</p>
</blockquote>
<blockquote>
<p>One of the hot topics for the past couple of years is the analysis of per- and polyfluoroalkyl substances (PFAS) and Sarah has collaborated with customers and other scientists within Waters to guide the next phase of PFAS testing with Waters mass spectrometry systems.</p>
</blockquote>


Waters Corporation: APGC Roundtable: Unveiling the Pathways of GC-MS/MS Evolution

APGC Roundtable: Unveiling the Pathways of GC-MS/MS Evolution

Discuss what GC-MS/MS is and what applicaitons it is used for (Dioxins, POPs, etc.)

APGC Roundtable: Unveiling the Pathways of GC-MS/MS Evo

<h4><strong>The Waters 2024 Virtual Summer School - An Educational Journey to Master Food &amp; Environmental Analysis</strong></h4><p>Unlock the full potential of LC-MS techniques with our immersive and educational sessions at the Waters Virtual F&amp;E Late Summer School 2024. From September 24th to 26th, engage with leading experts and discover cutting-edge methods for environmental and food analysis.</p><h5><strong>Why attend?</strong></h5><ul><li><strong>Comprehensive Learning:</strong> Dive deep into advanced LC-MS techniques and gain practical knowledge to enhance your laboratory's analytical capabilities.</li><li><strong>Expert Insights:</strong> Learn from industry leaders and gain firsthand experience through detailed modules on chromatography, mass spectrometry, and sample preparation.</li><li><strong>Regulatory Compliance:</strong> Stay ahead with the latest insights on EU regulations for PFAS analysis in food and water, ensuring your lab meets stringent standards.</li></ul><h3><strong>Episode #4: Chromatography - APGC | F&amp;E Summer School - Day 1 - Module 4</strong></h3><p>Discover the advantages of GC coupled to MS under atmospheric pressure (Atmospheric Pressure GC/ APGC) as a powerful alternative to electron ionization (EI) for GC-MS. Gain a comprehensive understanding of the APGC technology and its operational principles. Explore why APGC offers higher sensitivity, selectivity, and robustness compared to traditional EI methods. Maximize versatility and efficiency by understanding how to achieve both LC and GC capabilities on the same MS system as well as using nitrogen as an alternative carrier gas.</p><h5><strong>What you'll learn:</strong></h5><ul><li>How APGC works</li><li>Enhanced performance over classic EI-GC</li><li>Ease of use and implementation in the lab</li><li>Usage of nitrogen as GC carrier gas</li></ul><blockquote><p><strong>Presenter:&nbsp;</strong>Frank L. Dorman, PhD, FRSC (Principal Environmental Market Manager, Waters Corporation)</p><p>Frank Dorman is currently Senior Business Development Manager for Waters focusing on their global environmental business and, concurrently, Associate Professor (adjunct) in the Department of Biochemistry and Molecular Biology (BMB) at Penn State University in University Park, PA. In his role at Waters, Frank manages the research-focused environmental market, external collaborations and also interfaces with R&amp;D for new product development. Prior to Waters, Frank was employed full-time as a tenure-line Faculty member of Penn State and served as a member of the Graduate Faculty in: Biochemistry, Microbiology and Molecular Biology (BMMB), Chemistry (CHEM) and the Programs in Forensics Science (FRNSC), and Biogeochemistry (BGC). Frank is also a member of the Center for Molecular Toxicology and Carcinogenesis at Penn State. Frank’s scientific interests are in gas and liquid chromatography fundamental characterization, instrumentation and column development, as well and mass spectrometry and atomic spectroscopy as applied to trace analysis in complex sample matrices. This work is directed towards environmental forensics, traditional forensic chemistry and where environmental exposure events may contribute to human disease; an area sometimes referred to as “exposomics”.</p><p>Prior to joining the faculty at PSU, Frank was at Restek Corporation for 14 years as the Director of Technical Development, and R&amp;D Senior Chemist. During most of this same time, Frank was also an Adjunct Research Professor at Juniata College where he maintained an active undergraduate research program. Prior to that he was at Inchcape Testing Services for 5 years as a Senior Chemist, Organics Section Manager for Sample Preparation and Corporate Methods Development Chemist. As such, Frank has extensive experience in both the Industrial and Academic sectors giving him a relatively rare combination of skills and experience.</p><p><strong>Presenter:&nbsp;</strong>Janitha De-Alwis (Senior Applications Chemist, European Applications Team, Food and Environmental, Waters Corporation)</p><p>JD has worked in the chromatography industry for over 10 years and has recently joined Waters Corporation as a senior applications chemist. Prior to joining Waters, JD managed a group at a leading food research and contract organisation. Here, JD helped the food, drink and associated industriesproactivelyand reactively in the area of chemical toxins.As a senior applications chemist, JD now develops new applications with Waters technologies and helps customers with their critical analytical challenges.</p></blockquote>

Waters Corporation: The Waters 2024 Virtual Summer School

Chromatography - APGC

Discover the advantages of GC coupled to MS under atmospheric pressure (APGC) as a powerful alternative to electron ionization (EI) for GC-MS.

<p><strong>This session will provide a comprehensive introduction to the user interface, ensuring you can navigate with ease. Discover the various acquisition modes available and learn how to select the best one for your specific application.</strong></p><p>Additionally, we will explore the innovative Intelligent Reflex feature, highlighting its benefits in boosting your productivity.</p><p>Whether you’re new to MassHunter or looking to refine your skills, this webinar is designed to enhance your understanding and efficiency.</p><blockquote><p><strong>Presenter:</strong> Christian Hegmanns (Application Specialist LC/MS, Agilent Technologies, Waldbronn, Germany)</p><p>Christian Hegmanns is a state-certified food chemist and works at Agilent as an LC/MS application specialist.</p><p>With over 10 years of experience in the field of instrumental analysis, Christian develops customer-oriented solutions for a variety of applications with a focus on food analysis.</p></blockquote>

Agilent Technologies: MassHunter Masterclass Months

MassHunter Acquisition Q-TOF Part I – Basic Overview

Join us for an insightful webinar where we delve into the essentials of MassHunter Acquisition Q-TOF. 

<p><strong>This webinar will guide you through optimizing your Q-TOF for superior data quality by selecting the most suitable tune mode for your samples.</strong></p><p>We will delve into various MS acquisition modes, including MS only, All Ions (QRAI), Auto MS/MS (directed MS/MS; targeted MS/MS), and PRM mode.</p><p>Learn how to fine-tune method settings to enhance your data quality and achieve the best analytical results. Whether you’re a seasoned user or new to QTOF, this session will provide valuable insights to elevate your mass spectrometry.</p><blockquote><p><strong>Presenter:</strong> &nbsp;Stefan Schaebler (Application Specialist LC/MS, Agilent Technologies)</p><p>Stefan completed his PhD in Biology, specializing in LC-MS-based lipidomics and metabolomics. Following his doctoral studies, he joined Agilent Technologies as an LC/MS Application Specialist. In this role, Stefan focuses on small molecule applications using LC-QTOF, with a strong emphasis on software tools and data interpretation.</p></blockquote>

MassHunter Acquisition Q-TOF Part II – Advance Settings

Join us for an in-depth exploration of advanced settings in MassHunter Acquisition for Q-TOF systems.

<p><strong>Join us for an insightful webinar where we will explore the critical aspects of differentiating good from bad data and how this distinction can significantly influence your results. From screening to quantification, discover the value of targeted data analysis workflows using non-targeted data with our innovative software and hardware.</strong></p><p>Find by Formula algorithm. Learn to identify the most suitable MS/MS approach for your experiments, initiate quantitation for your compounds of interest, and incorporate retention times (RTs) and MS/MS spectra into a custom database and library.</p><p>This session is designed to enhance your understanding and application of Q-TOF data analysis, ensuring robust and reliable outcomes.</p><blockquote><p><strong>Presenter:</strong> Hannah Florance (Agilent Technologies)</p><p>Hannah has had multiple roles in the life sciences, starting as a protein chemist, before moving into proteomics and then metabolomics. A major part of her time working in academia involved running LC and GCMS core facilities supporting projects ranging from synthetic biology to cancer research. She is currently an LCMS applications specialist for Agilent.<br><br><strong>Presenter:</strong> Stefan Schaebler (Application Specialist LC/MS, Agilent Technologies)</p><p>Stefan completed his PhD in Biology, specializing in LC-MS-based lipidomics and metabolomics. Following his doctoral studies, he joined Agilent Technologies as an LC/MS Application Specialist. In this role, Stefan focuses on small molecule applications using LC-QTOF, with a strong emphasis on software tools and data interpretation.</p></blockquote>

MassHunter Qual – The Solid Pillar in Q-TOF Data Analysis

We will explore the critical aspects of differentiating good from bad data and how this distinction can significantly influence your results.

<p><strong>Join our upcoming webinar on the MassHunter Quant Screener Tool to discover how to harness the power of quantitative analysis for effective screening and identification of potential suspect compounds.</strong></p><p>This session will provide in-depth guidance on creating methods from PCDL databases, evaluating result parameters, and generating straightforward summary reports. Additionally, learn how retention time (RT) prediction can enhance your screening process by significantly accelerating and simplifying large database searches.</p><p>Don’t miss this opportunity to elevate your analytical capabilities!</p><blockquote><p><strong>Presenter:</strong> &nbsp;Jonathan Spencer (Application Specialist, Agilent Technologies)</p><p>Jonathan studied BSc Natural Sciences at the University of Nottingham and later went on to Sheffield Hallam University to study a MSc in Forensic Science.</p><p>Following graduation, he spent 2 years as a Confirmatory Analyst in an anti-doping and forensic toxicology lab, before joining Agilent as an LC/MS Applications Scientist. At Agilent, he focuses on small molecule applications using LC/TQ and LC/Q-TOF in fields of like food, forensic and environmental analysis.</p></blockquote>

MassHunter Quant Screener Tool

Discover how to harness the power of quantitative analysis for effective screening and identification of potential suspect compounds. 

<p><strong>Hear about the latest advancements in translational proteomics and metabolomics. From the molecular mechanisms of disease pathology to the latest technological developments in diagnostics and treatment.</strong></p><h5><strong>Key Learning Objectives:</strong></h5><ul><li>Spatial proteomics to assess health and diseases</li><li>Absolute quantitation of human proteins</li><li>The latest innovations in proteomics and metabolomics instrumentation and data analysis</li><li>Biomarker-guided precision medicine</li></ul><h4><strong>Day 2 – October 31</strong></h4><h5><strong>15:00 – 15:50 GMT: A Novel Strategy for the Absolute Quantification of Human Proteins</strong></h5><ul><li>Christoph Borchers, PhD (McGill University)</li></ul><h5><strong>15:50 – 15:55 GMT: </strong>Networking Break</h5><h5><strong>15:55 – 16:15 GMT: From Single Cells to the Metaproteome: Latest Developments in timsTOF Technology for Proteomics</strong></h5><ul><li>Matt Willetts, PhD (Bruker)</li></ul><h5><strong>16:15 – 16:20 GMT: </strong>Networking Break</h5><h5><strong>16:20 – 17:10 GMT: Single-Cell Chromatin Proteomics to Investigate the Biology of Exceptional Longevity</strong></h5><ul><li>Simone Sidoli, PhD (Albert Einstein College of Medicine)</li></ul><h5><strong>17:10 – 17:15 GMT: </strong>Networking Break</h5><h5><strong>17:15 – 17:35 GMT: Optimizing Metabolomics Workflows: From Sample Preparation to Multi-omics Integration</strong></h5><ul><li>Hagen Magnus Gegner, PhD (CTC Analytics)</li></ul><h5><strong>17:35 – 17:40 GMT:</strong> Networking Break</h5><h5><strong>17:40 – 18:10 GMT: Analyzing Metabolic Responses to a Standardized Meal Challenge Using Exhaled Breath</strong></h5><ul><li>Matteo Tardelli, PhD (Owlstone Medical)</li></ul><h5><strong>18:10 GMT: </strong>Event Close</h5><h5><strong>Who Should Attend:</strong></h5><ul><li>Scientists and researchers seeking to expand their knowledge</li><li>Pharmaceutical and biotech professionals driving drug development</li><li>Clinicians looking to improve patient care</li><li>Academicians exploring new research avenues</li><li>Graduate students and postdoctoral fellows building their careers</li></ul><blockquote><p><strong>Presenter: </strong>Mathias Uhlén, PhD (Professor, KTH - Royal Institute of Technology)</p><p><strong>Presenter:&nbsp;</strong>Christoph Borchers, PhD (Professor, McGill University)</p><p><strong>Presenter:</strong>&nbsp;Janne Lehtiö, PhD (Professor, Karolinska Institutet)</p><p><strong>Presenter:</strong>&nbsp;Crystal Montoya (Senior Marketing Product Manager, Miltenyi Biotec)</p><p><strong>Presenter:</strong>&nbsp;Kari Basso, PhD (Director of Mass Spectrometry Research and Education, University of Florida)</p><p><strong>Presenter:&nbsp;</strong>Fabian Coscia, PhD (Group Leader, Max Delbrück Center)</p><p><strong>Presenter:</strong>&nbsp;Simone Sidoli, PhD (Assistant Professor, Albert Einstein College of Medicine)</p><p><strong>Presenter:</strong>&nbsp;Hagen Magnus Gegner, PhD (Content and Digital Marketing, CTC Analytics)</p><p><strong>Presenter:</strong>&nbsp;Matt Willetts, PhD (Proteomics Applications Manager, Bruker Daltonics)</p><p><strong>Presenter:&nbsp;</strong>Matteo Tardelli, PhD (Senior Biomarker Scientist, Owlstone Medical)</p><p><strong>Presenter:&nbsp;</strong>Aaron Gajadhar, PhD (Director, Strategic Applications, Seer)</p><p><strong>Presenter:&nbsp;</strong>Gary Siuzdak, PhD (Professor and Senior Director, Scripps Research Institute)</p></blockquote>

Technology Networks: Advances in Proteomics & Metabolomics 2024

Advances in Proteomics & Metabolomics 2024 (Day 2)

Hear about the latest advancements in translational proteomics and metabolomics. 

GCMS webinars focusing on GC/MS/MS - page 7