<p><strong>Volatile and neutral PFAS species represent a distinct analytical and regulatory challenge compared with the more widely discussed ionic PFAS measured by LC-MS/MS. Two GC-based methods now define the industrial analytical landscape for volatile PFAS: ASTM D8591-24 and U.S. EPA OTM-50. While both rely on </strong><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/chromatography/gas-chromatography-gc/gc-systems/related-products/autosamplers.html"><strong>thermal desorption coupled to gas chromatography–mass spectrometry</strong></a><strong> (TD-GC-MS or TD-GC-MS/MS), they serve fundamentally different regulatory and industrial objectives.</strong></p><p>Understanding this distinction is essential for laboratories, manufacturers, and waste treatment operators implementing either method.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Volatile_PFAS_Implications_for_Industry_and_the_Role_of_TD_GC_MS_MS_7228c2a5cf.jpg" alt="Thermo Fisher Scientific: Volatile PFAS: Implications for Industry and the Role of TD-GC-MS/MS" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Volatile_PFAS_Implications_for_Industry_and_the_Role_of_TD_GC_MS_MS_7228c2a5cf.jpg 245w," sizes="100vw" width="1024" height="512"></p><h3><strong>ASTM D8591-24: emissions from materials and products</strong></h3><p>ASTM D8591-24 is a standardized test method for the determination of fluorotelomer alcohols (FTOHs) in air samples collected on thermal desorption tubes. It was validated for air samples collected from environmental test chambers and is particularly relevant to materials emissions testing.</p><p><strong>The method addresses a critical analytical gap:</strong>&nbsp;</p><p>FTOHs and related neutral PFAS species are not reliably measured by LC-MS methods due to chromatographic and ionization limitations, while GC-based methods are appropriate for volatile fluorinated compounds and neutral PFAS species, including FTOHs.</p><p><strong>From an industrial perspective, ASTM D8591-24 has implications in three areas:</strong></p><ol><li><strong>Product stewardship and compliance.</strong> Manufacturers of textiles, packaging, coatings, and consumer goods increasingly require defensible emission data. The Application Note: <a target="_blank" rel="noopener noreferrer" href="https://gcms.cz/paper/24769"><strong>Analysis of PFAS in indoor air using thermal desorption coupled to gas chromatography – mass spectrometry (TD-GC-MS/MS)</strong></a> on indoor air testing demonstrates that TD-GC-MS/MS can detect PFAS species at low ng/m³ levels, with average method detection limits around 780 pg/m³ for a 20 L air sample. Such sensitivity is necessary when evaluating exposure in workplaces or residential settings.</li><li><strong>Chamber testing and emission rate determination.</strong> The Micro-Chamber/Thermal Extractor (µ-CTE) enables controlled emission studies of materials without extensive preparation. As shown in the application note, fluorotelomer alcohol 8:2 (FOET) was the dominant emission, with a calculated emission rate of 0.131 ng/g/min. &nbsp;Emission rates rather than bulk concentration increasingly form the basis of regulatory thresholds.</li><li><strong>Laboratory workflow and reproducibility.</strong> The TD100-xr coupled with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/486"><strong>TRACE 1610 GC</strong></a> and<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/485"><strong> TSQ 9610 triple quadrupole MS</strong></a> provides automated internal standard addition, dry purge, and cryogen-free focusing. The integration with<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76"><strong> Chromeleon CDS</strong></a> supports controlled method setup and compliant data handling.</li></ol><p>ASTM D8591-24 standard is therefore positioned at the interface of product emissions, occupational exposure, and indoor air quality.</p><h3><strong>EPA OTM-50: Verification of PFAS Destruction</strong></h3><p>EPA Other Test Method 50 (OTM-50) occupies a different regulatory space. It is intended for sampling and analysis of volatile fluorinated compounds (VFCs) emitted from stationary sources, particularly those associated with PFAS destruction processes.</p><p>The analytical objective is not product emissions but verification of mineralization efficiency. Incomplete destruction of PFAS can produce volatile by-products such as carbon tetrafluoride (CF₄), a persistent and potent greenhouse gas. OTM-50 therefore serves as a tool for assessing process performance in chemical manufacturing and waste management facilities.</p><p><strong>The implementation of OTM-50 introduces distinct analytical challenges:</strong></p><ul><li><strong>Ultra-volatile targets.</strong> CF₄ is difficult to trap, often requiring specialized trapping strategies</li><li><strong>High CO₂ backgrounds.</strong> CO₂ can co-trap with analytes and bias results; OTM-50 includes a bias check with ±30% acceptance criteria</li><li><strong>High humidity.</strong> Emission streams may approach 100% relative humidity, requiring effective water management</li><li><strong>Trace-level detection with robustness.</strong> Achieving ppt-level detection while maintaining stability and calibration integrity is non-trivial</li></ul><p>Thermo Scientific solutions for OTM-50 combine Markes UNITY-xr cryogen-free preconcentration, dedicated focusing traps for volatile fluorocarbons, automated internal standard addition, and either <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484"><strong>ISQ 7610 single quadrupole GC-MS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/485"><strong>TSQ 9610 triple quadrupole GC-MS/MS </strong></a>detection. For facilities seeking enhanced selectivity and lower limits of quantitation in complex emission matrices, GC-MS/MS provides additional confirmation capability beyond single quadrupole operation.</p><p>OTM-50 is currently an “Other Test Method,” but its role in demonstrating destruction efficiency suggests increasing regulatory significance. Facilities adopting it are not simply measuring emissions; they are generating defensible evidence of process performance.</p><h3><strong>Complementary but distinct</strong></h3><p>Although ASTM D8591-24 and EPA OTM-50 both rely on TD-GC-MS(/MS), their scope differs fundamentally:</p><ul><li><strong>ASTM D8591-24</strong>: Chamber or ambient air sampling on sorbent tubes; focuses on FTOHs and related neutral PFAS; applied to materials emissions and indoor air.</li><li><strong>EPA OTM-50</strong>: Canister-based sampling of stationary source emissions; focuses on volatile fluorinated compounds from destruction processes; applied to industrial compliance and process verification</li></ul><p><strong>In practical terms, ASTM D8591-24 addresses the question: </strong><i>What is emitted from products and materials?</i><br><strong>OTM-50 addresses: </strong><i>What remains after PFAS destruction?</i></p><p>For laboratories and industrial operators, the implication is clear. No single analytical approach covers all PFAS species or all regulatory questions. A TD-GC-MS/MS platform configured appropriately can support both methods, but the sampling strategy, validation framework, and regulatory context differ.</p><p>As volatile PFAS monitoring expands, from product stewardship to destruction verification, the analytical distinction between these two methods will remain central to effective implementation.</p><ul><li><strong>Visit us on&nbsp;</strong><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/"><strong><u>LinkedIn:</u></strong></a>&nbsp;#PFAS #IndustrialTesting #OTM50 #MaterialEmission</li></ul><blockquote><h5><strong>Daniela Cavagnino, M.S.</strong></h5><p>Daniela Cavagnino is a Product Marketing Manager who built a career at Thermo Fisher Scientific, transitioning from GC R&amp;D scientist to product and marketing leadership with 20+ years in GC/GCMS.</p></blockquote><p>&nbsp;</p>

Volatile PFAS: Implications for Industry and the Role of TD-GC-MS/MS

<p><strong>🎤 Presenter:</strong> <strong>Paul-Albert Schneide </strong>(University of Copenhagen)</p><p>💾 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/paper/32780"><strong>PDF presentation</strong></a></p><h3><strong>Abstract</strong></h3><p><strong>Tensor decomposition methods such as PARAFAC and PARAFAC2 have been proposed for resolving co-elutions, and extracting purified spectra in two-dimensional chromatography datasets. However, the application of these methods is usually restricted to local regions-of-interest (ROIs). Therefore, additional pre-processing steps, are required and processing multiple samples at once can be difficult due to retention time shifts (e.g., it is difficult to define a ROI that captures the same analyse signal in multiple samples).</strong></p><p>This work presents an application of fast, shift-invariant tensor decomposition, which was used for the decomposition of full-scale GCxGC-VUV datasets. The results show that chemical groups can be resolved, which are non-separable with conventional, template-based approaches, such as aliphates and olefines, Furthermore, the extracted peak areas are in good agreement with the quantitative results of the reference methods (e.g., bromine number for olefines).</p><h2><strong>Video Transcription</strong></h2><h3><strong>Background and Motivation</strong></h3><p>The project originated from a collaboration initiated by Alexandra Alvich from IFPEN, who approached Prof. Rasmus Bro’s research group at the University of Copenhagen for help analyzing a GC×GC-VUV dataset acquired during her PhD research. The work was then continued by Paul-Albert Schneider and Jesper Henri from the Technical University of Denmark.</p><p>The primary objective was to develop a simpler and less manually intensive approach for petrochemical group quantification while maintaining strong quantitative performance and spectral interpretability.</p><p>According to Schneider, the proposed method is based on two key principles:</p><ul><li>Simple implementation with a minimal number of tuning parameters</li><li>Accurate estimation of peak patterns, VUV spectra, and peak areas</li></ul><p>The workflow specifically targets group-level petrochemical analysis rather than individual compound identification.</p><h3><strong>Data Analysis Workflow</strong></h3><p>The presented workflow begins with a collection of GC×GC-VUV measurements. In this study, the researchers analyzed:</p><ul><li>14 gas oil samples</li><li>24 total measurements, including replicates</li><li>Samples processed using different treatment methods</li></ul><p>Initial preprocessing was performed using a dedicated plug-in module developed during Alexandra Alvich’s PhD work. The preprocessing included:</p><ul><li>Signal smoothing</li><li>Downsampling</li><li>Basic data conditioning</li></ul><p>The processed data were then submitted to the decomposition engine developed by the Copenhagen research group. The decomposition produced:</p><ul><li>Resolved VUV spectra</li><li>GC×GC chromatographic landscapes</li><li>Peak areas or peak volumes</li></ul><p>An in-house spectral library from IFPEN was subsequently used to verify that the extracted spectra corresponded to known petrochemical groups, enabling group-level quantitative analysis.</p><p>Importantly, the workflow currently requires only a single major tuning parameter: the number of components used in the decomposition model. The researchers also noted ongoing efforts to automate this selection step.</p><h3><strong>Comparison with Existing Template-Based Methods</strong></h3><p>The study benchmarked the new approach against Alexandra Alvich’s previously developed template-based quantification method.</p><p>In the template-based workflow:</p><ul><li>Elution regions are predefined using a grid structure</li><li>Peak intensities within those regions are summed</li><li>Quantitative estimates are obtained for specific petrochemical classes</li></ul><p>Although the template-based strategy demonstrated strong performance compared with other analytical techniques, Schneider highlighted several limitations:</p><ul><li>Sensitivity to retention time shifts</li><li>Manual adjustment of integration regions</li><li>Dependence on prior knowledge of coeluting compounds</li></ul><p>The new decomposition-based method was designed to reduce manual intervention and improve robustness against chromatographic variability.</p><h3><strong>Shift-Invariant Trilinear Decomposition</strong></h3><p>The proposed workflow is conceptually related to PARAFAC and multivariate curve resolution methods.</p><p>One important advantage of GC×GC-VUV data is the applicability of the Beer–Lambert law, which enables mathematically structured decomposition approaches.</p><p>The researchers evaluated two possible strategies:</p><ol><li>Decomposing each sample individually</li><li>Decomposing all samples simultaneously after concatenation into one large dataset</li></ol><p>The second strategy became the central focus of the work. Multiple samples were concatenated into a large matrix and factorized to extract shared chemical information across all measurements simultaneously.</p><p>Unlike many conventional GC×GC deconvolution pipelines, the workflow does not rely on a prior region-of-interest detection step. Instead, the entire dataset is decomposed directly.</p><h3><strong>Addressing Retention Time Shifts</strong></h3><p>A critical challenge for PARAFAC-type models is the assumption of strict trilinearity. In GC×GC datasets, however, second-dimension retention time shifts caused by temperature programming violate this assumption.</p><p>Schneider demonstrated how standard one-component PARAFAC models fail to properly model shifted peaks, leaving characteristic residual patterns. When fitting additional components, conventional models often allocate extra components to describing peak shifts instead of resolving true coeluting compounds.</p><p>The shift-invariant model solves this issue by explicitly accounting for chromatographic shifts. As a result:</p><ul><li>Large shifted peaks are modeled correctly</li><li>Residuals are minimized</li><li>Small coeluting peaks become resolvable</li></ul><p>The algorithm uses fast Fourier transform (FFT)-based operations internally to correct for chromatographic shifts efficiently.</p><p>According to the presentation, the approach is also significantly faster than PARAFAC2, which is commonly used for shifted datasets.</p><p>The researchers additionally described extensions of the model that can accommodate:</p><ul><li>Retention time shifts</li><li>Peak shape variations</li><li>Additional flexibility without losing uniqueness properties</li></ul><h3><strong>Quantitative Results</strong></h3><p>The team applied a seven-component model to the complete dataset containing 24 GC×GC-VUV measurements.</p><p>The decomposition extracted seven characteristic VUV spectra, which were compared against the IFPEN in-house spectral library. The extracted spectra matched known petrochemical group signatures very well.</p><p>The resolved components included:</p><ul><li>Two monoaromatic components</li><li>Two diaromatic components</li><li>Additional petrochemical group patterns</li></ul><p>For quantitative evaluation, chemically related components were grouped together.</p><h4><strong>Reproducibility</strong></h4><p>Replicate measurements demonstrated strong quantitative reproducibility:</p><ul><li>Relative standard deviations below 10%</li><li>Consistent peak area estimation across petrochemical groups</li></ul><h4><strong>Comparison with the Template-Based Approach</strong></h4><p>The decomposition workflow showed good agreement with the existing template-based quantification strategy, with monoaromatics representing the main discrepancy requiring further investigation.</p><p>Schneider explained that the differences were likely related to relative response factor scaling used in the template-based method but not yet implemented in the decomposition workflow at the time of the presentation.</p><h4><strong>Future Development</strong></h4><p>The researchers outlined several next steps for the project:</p><ul><li>Running models on individual samples to achieve higher resolution</li><li>Resolving sulfur-containing compounds</li><li>Extracting more sample-specific differences</li><li>Automating component number selection</li><li>Investigating deviations in monoaromatic quantification</li><li>Integrating the workflow into an open-source software project</li></ul><p>The team also expressed interest in future collaboration with other researchers working on related GC×GC data analysis workflows.</p><h3><strong>Conclusion</strong></h3><p>The presented shift-invariant trilinear decomposition workflow demonstrated promising performance for automated petrochemical group analysis in GC×GC-VUV datasets. By combining robust mathematical modeling with minimal manual intervention, the method offers a simplified alternative to traditional template-based approaches while maintaining strong quantitative agreement and spectral interpretability.</p><p>The work highlights the growing role of advanced multivariate data analysis strategies in comprehensive chromatography and demonstrates how shift-aware decomposition methods can significantly improve the analysis of highly complex petrochemical datasets.</p><blockquote><p><strong>This text has been automatically transcribed from a video presentation using AI technology. It may contain inaccuracies and is not guaranteed to be 100% correct.</strong></p></blockquote>

One-shot tensor decomposition of full-scale GC×GC-VUV datasets for resolving petrochemical groups (Paul-Albert Schneide, MDCW 2026)

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 11th May 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 application note by<strong> Shimadzu, </strong>poster by <strong>MDCW / William &amp; Mary</strong> and brochure by <strong>Thermo Fisher Scientific!</strong></p><h3><strong>1. MDCW / William &amp; Mary: Optimizing Solvent Selection and Data Reduction Workflows for GC×GC Fire Debris Analysis</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_14_O_Brien_63304669ee.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><h5><strong>What are Ignitable Liquid Residues (ILRs)?&nbsp;</strong></h5><ul><li>Chemical remains of ignitable liquids (IL) (e.g., gasoline or diesel) that did not fully burn during a fire&nbsp;</li><li>ILRs are usually petroleum-based products and contain complex mixtures of volatile chemicals, like hydrocarbons&nbsp;</li></ul><h5><strong>Forensic Analysis of ILRs&nbsp;</strong></h5><ul><li>Collection of porous materials like wood from the fire’s point of origin&nbsp;</li><li>Must be stored in airtight containers to prevent volatile ILR from evaporation&nbsp;</li><li>Passive headspace extraction onto activate charcoal strips (ACS) is used to extract ILRs from debris, and dichloromethane (DCM) is used to extracts ILRs from charcoal strips&nbsp;</li><li>Emerging is the use of two-dimensional gas chromatography – time of fight - mass spectrometry (GC×GC-TOFMS), with higher separation and resolution</li><li>Resulting chromatograms presents a pattern of peaks which can be used to identified specific type of accelerant used&nbsp;</li></ul><h5><strong>Chemometrics&nbsp;</strong></h5><ul><li>The discipline that focuses on the application of statistical and mathematical methods to analyze chemical data and extract meaningful information (Bovens, 2019)&nbsp;</li><li>Helps make sense of large datasets from analytical instruments, find pattens, and classify samples</li></ul><h4><strong>Methods</strong></h4><h5><strong>Analytical Instrumentation&nbsp;</strong></h5><ul><li>LECO corporation <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1097"><strong>BTX4D GC×GC-TOFMS</strong></a> with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1289"><strong>Paradigm Shift reverse fill-flush (RFF) flow modulator</strong></a></li></ul><h5><strong>Software&nbsp;</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1873"><strong>ChromaTOF Sync 2D</strong></a> (LECO corporation)&nbsp;</li><li>R Statistical Software</li></ul><h4><strong>Conclusions</strong></h4><p>This study demonstrated that the use of chemometrics can be integrated into a data processing workflow to better understand data sets and create a streamlined process. Using UMAP, patterns identified that were not originally seen in PCA lead to the preferred solvents of ILR extraction being hexane and methanol. Since UMAP allowed visualization of local and global structures, groupings of gasoline samples allowed for better analysis of solvent effect.</p><h3><strong>2. Shimadzu: Multiresidue Pesticides Analysis in Solvent Extract of Annatto (Natural Color Additive) Using </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8050+NX"><strong>GCMSTQ8050 NX</strong></a></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_06_sip_gc_043_en_95576a9ac4.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>&nbsp;Accurate and reproducible trace level quantitation of pesticides in highly pigmented complex matrix using Ultra-fast GCMSTQ8050 NX and QuEChERS extraction</li><li>Single-laboratory partial validated method for LOQ determination meeting regulatory guidelines</li><li>Ease of instrumental method optimization using GCMS Smart Pesticides Database Ver.2 from Shimadzu Corporation</li></ul><p>Annatto is an orange-red condiment and food colorant derived from the seeds of the achiote tree (Bixa Orellana) (Fig. 1). It is often used to impart a yellow to red-orange color to foods, but sometimes also for its flavor and aroma. Similar effects can be obtained by extracting some of the color and flavor principles from the seeds, which are then added to the food. Annatto and its extracts are now widely used in an artisanal or industrial scale as a coloring agent in many processed food products, such as cheeses, butter, baked goods, potatoes, snack foods, breakfast cereals, smoked fish etc. In these uses, Annatto is a natural alternative to synthetic food coloring compounds.&nbsp;</p><p>Owing to its large culinary uses and other diverse applications, use of chemical pesticides for its production in large quantities is imperative. Dye extraction process may result in concentration of pesticides and in turn contribute to adverse impact on human health when incorporated in various preparations. Hence quantitation of residual pesticides in Annatto extract becomes very important. As the oleoresin is a complex matrix, it is required to develop a rugged, sensitive and efficient method for extraction of residual pesticide and its analysis.&nbsp;</p><p>This study reports a highly sensitive method for simultaneous quantification of multiple pesticides in highly pigmented complex matrix of Annatto using modified QuEChERS[1] with triple quadrupole gas chromatography (GC-MS/MS) system.</p><h4><strong>Materials and Methods</strong></h4><p>For this study, customized reference standard mixture of most commonly observed pesticides in Annatto seeds was procured from Restek Corporation.</p><p>The calibration standards were analyzed from 0.5 to 1000 μg/L. Linearity was plotted by external standard method and using weighted regression of 1/C2. Sample was spiked at 3 levels i.e., 10, 25 and 100 μg/kg. Recovery samples were prepared in 6 replicates at each level. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8050+NX"><strong>GCMS-TQ8050 NX</strong></a> (Fig. 2), manufactured by Shimadzu Corporation Japan, was used for quantitation. LabSolutions InsightTM was used for data processing, which helped in evaluating validation parameters with ease.</p><h4><strong>Conclusion</strong></h4><p>This study shows that the modified QuEChERS method combined with GC-MS/MS system is a reliable and efficient tool to quantify residual pesticides in Annatto extract sample. Although Annatto extract is a highly pigmented complex matrix, the modified QuEChERS method significantly reduces interference. Also, extremely sensitive Shimadzu GC-MS/MS allows trace level detection even after multifold dilution of sample. This helps in reducing contamination and enhancing ruggednessresulting in reproducible detection of analytes.</p><h3><strong>3. Thermo Fisher Scientific: Sentinel PRO 710 environmental mass spectrometer Precise real time gas analyzer for toxic volatile organic compounds</strong></h3><ul><li>Product specification</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sentinel_pro_710_spec_sheet_en_886523bfc2.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=Sentinel+PRO"><strong>Thermo Scientific™ Sentinel PRO Environmental Mass Spectrometer </strong></a>is a highly reliable and versatile gas analyzer ideal for reporting the presence of toxic VOCs from fugitive emissions in industrial settings to ensure worker safety.</p><h4><strong>Fugitive emissions of toxic VOCs&nbsp;</strong></h4><p>Wherever there is potential danger for fugitive emissions of toxic organic vapors from a chemical production unit, regulating authorities often require plants to keep records of ambient vapor concentrations to protect workers from exposure. Various forms of capture include evacuated vessels, organic vapor monitors, or purge and trap devices, all of which require samples to be sent for analysis. Alternatively, electrochemical sensors or open path FT-IR spectroscopy can provide more immediate results. However, none of these technologies are capable of providing the spatial and temporal resolution required to qualify as actionable information.&nbsp;</p><h4><strong>Analytical platform&nbsp;</strong></h4><p>The primary feature of the Sentinel PRO mass spectrometer is the magnetic sector analyzer. This field-proven technology has demonstrated the strongest performance for industrial on-line gas analysis. Magnetic sector technology offers precision, accuracy, long intervals between calibrations. The new touchscreen interface further enhances usability, providing intuitive in-person operation, simplified maintenance, and real-time data viewing. Multi-role user permissions ensure security and control allowing operators to customize settings based on their specific needs.&nbsp;</p><h4><strong>Comprehensive data collection&nbsp;</strong></h4><p>With speed and precision, the Sentinel PRO analyzer monitors all the critical areas for short-term exposure levels of toxic VOCs, and also provides accurate and time-weighted average exposure data. With a high number of sample points available, many can be located close to potential leak points such as valve stems, etc., enabling leak detection and correction before any toxic hazard is created.&nbsp;</p><h4><strong>Membrane inlet mass spectrometry&nbsp;</strong></h4><p>The analyzer is fitted with a membrane inlet to reduce the pressure of the sample air from atmospheric to the working pressure of the enclosed ion source. This allows a method of sample introduction that greatly enhances the system’s sensitivity to VOCs. Since the membrane is more permeable to VOCs than to major air gases, it provides enrichment by several orders of magnitude, enabling detection as low as 5 ppb (species dependent) permits easy membrane replacement during annual routine maintenance to minimize downtime and increase productivity.</p></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 20, 2026

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Poster

The Multidimensional Chromatography (MDC) Workshop draws experts in this exciting field to share and discuss their research.

The Multidimensional Chromatography Workshop

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DataApex NGA - Natural Gas Analysis Extension for Clarity

NGA Extension is a software module for Natural Gas and Liquefied Petroleum Gas Data Processing. You no longer need an external tool for gas properties calculations since the Clarity contains the complete workflow.

<h3><strong>Extension for Natural Gas and Liquefied Petroleum Gas Data Processing</strong></h3>
<p>NGA Extension is a software module for <strong>Natural Gas</strong> and <strong>Liquefied Petroleum Gas Data Processing</strong>. You no longer need an external tool for <strong>gas properties calculations</strong> since the <a href="https://gcms.labrulez.com/products/999"><strong>Clarity</strong></a> contains the <strong>complete workflow</strong> of data <strong>acquisition</strong>, <strong>peak calibration</strong>, gas <strong>properties calculations</strong> based on <strong>supported norms</strong> and <strong>reporting</strong>. It is possible to perform <strong>summary calculations</strong> of gas properties from <strong>multiple signals and chromatograms</strong>.</p>
<h3><strong>Supported norms</strong></h3>
<h4><strong>Natural Gas</strong></h4>
<ul>
<li><p><strong>ISO 6976-95 Natural gas</strong>: Calculation of calorific values, density, relative density and Wobbe index from composition.</p>
</li>
<li><p><strong>ASTM D 3588-98</strong>: Standard Practice for Calculating Heat Value, Compressibility Factor, and Relative Density of Gaseous Fuels.</p>
</li>
<li><p><strong>GPA 2172-09</strong>: Calculation of Gross Heating Value, Relative Density and Compressibility Factor for Natural Gas Mixtures From Compositional Analysis.</p>
</li>
</ul>
<h4><strong>Liquefied Petroleum Gas</strong></h4>
<ul>
<li><p><strong>ASTM D 2421-02</strong>: Standard Practice for Interconversion of Analysis of C5 and Lighter Hydrocarbons to Gas-Volume, Liquid-Volume, or Weight Basis.</p>
</li>
<li><p><strong>ISO 8973-97 / EN589-04</strong>: Standards for calculation methods for density and vapor pressure in liquefied petroleum gases.</p>
</li>
<li><p><strong>ASTM D 2598-02</strong>: Standard Practice for Calculation of Certain Physical Properties of Liquefied Petroleum (LP) Gases from Compositional Analysis.</p>
</li>
</ul>
<h3><strong>Detailed list of calculated gas properties</strong></h3>
<h4><strong>ISO 6976-95</strong></h4>
<ul>
<li>Compression Factor (for real gas only)</li>
<li>Mean Molecular Weight</li>
<li>Relative Density</li>
<li>Density</li>
<li>Superior Calorific Value</li>
<li>Inferior Calorific Value</li>
<li>Wobbe Index</li>
</ul>
<h4><strong>ASTM D 3588-98</strong> and <strong>GPA 2172-09</strong></h4>
<ul>
<li>Molar Mass</li>
<li>Molar Mass Ratio</li>
<li>Compressibility Factor</li>
<li>Relative Density</li>
<li>Ideal Heating Value (incl.calculations in BTU - British Thermal Units)</li>
<li>Real Heating Value (incl.calculations in BTU - British Thermal Units)</li>
</ul>
<h4><strong>ASTM D 2421-02</strong> and <strong>ASTM D 2598-02</strong></h4>
<ul>
<li>Vapor Pressure</li>
<li>Relative Density</li>
<li>Motor Octane Number</li>
</ul>
<h4><strong>ISO 8973-97</strong> and <strong>EN589-04</strong></h4>
<ul>
<li>Absolute Vapour Pressure (for Molar and Mass Percent only)</li>
<li>Gauge Vapour Pressure (for Molar and Mass Percent only)</li>
<li>Octane Number</li>
</ul>


Wasson GC DHA Hydrocarbon Expert software

DHA analysis easy and simple. Efficient analysis is now even more efficient. Hydrocarbon Expert software.

<p><strong>Wasson-ECE Dragon DHA is a fast, easy to use application for the detailed hydrocarbon analysis of petroleum products by high efficiency gas chromatography. Dragon DHA uses a convenient, graphical interface to provide a one-screen display for visually observing the chromatogram and manipulating the data calculations in order to obtain the optimum results for analysis and data presentation.</strong></p>
<h3><strong>Dragon DHA Includes:</strong></h3>
<ul>
<li><p>Quick database creation.</p>
</li>
<li><p>Fast peak identification and results processing.</p>
</li>
<li><p>“Unknown” tab lists unidentified peaks in order of concentration.</p>
</li>
<li><p>“Unknown indexer” takes the user directly to the unknown peak for identification.</p>
</li>
<li><p>Unique dashboard feature continuously presents the user with all calculated results and instantly recalculates when changes are made.</p>
</li>
<li><p>Hydrocarbon group-type filtering.</p>
</li>
<li><p>Full preview and printing of reports.</p>
</li>
<li><p>Results are bound with chromatographic data for instant retrieval and archiving. </p>
</li>
<li><p>Original files and data are never affected (CFR Part 11/ISO 17025).</p>
</li>
<li><p>Result files are saved as netCDF (.AIA) format files and can be accessed by any third-party application that supports reading .AIA file format.</p>
</li>
<li><p>Result files work as fully functional reference databases.</p>
</li>
<li><p>Full reports are stored with results for easy retrieval without reprocessing.</p>
</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Altium_International_Wasson_Obrazek_1_Diagram_casti_DHA_chromatogramu_s_identifikovanymi_a_neidentifikovanymi_piky_b50386d9b9.jpg" alt="Wasson: Diagram of the part of the DHA chromatogram with identified and unidentified peaks. Hydrocarbon Expert greatly simplifies the identification of components by comparing the measured chromatogram with a reference."/></p>
<h3><strong>Wasson-ECE Dragon DHA Software</strong></h3>
<p>Wasson-ECE Instrumentation Dragon DHA software uses integrated chromatographic data from commercial GC data systems, i.e. <strong>ChromPerfect</strong>, <strong>EZ Chrome</strong>, <strong>ChemStation</strong>. In fact, any GC data system capable of AIA (ANDI) file output is compatible with Dragon DHA.</p>
<h3><strong>Chemical and Physical Property Calculations</strong></h3>
<ul>
<li><strong>Vapor pressure</strong></li>
<li><strong>Oxygenate content</strong></li>
<li><strong>Relative density</strong></li>
<li>Average <strong>molecular weight</strong></li>
<li>Calculated research <strong>octane number</strong></li>
<li><strong>% carbon, % hydrogen</strong></li>
<li>Calculated <strong>bromine number</strong></li>
<li><strong>Mass% and vol%</strong> multi-substituted ring aromatics</li>
<li><strong>Total boiling point distribution</strong></li>
<li>Wt%, vol%, mole% of <strong>group types by carbon number</strong></li>
<li>Wt%, vol%, mole% of <strong>individual components</strong></li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Altium_International_Wasson_Obrazek_5_V_software_lze_porovnavat_neomezeny_pocet_signalu_a_reportu_Srovnani_lze_provest_na_jakekoli_urovni_od_shrnuti_dle_skupin_po_vlastni_vypocty_9c06f36d16.jpg" alt="Wasson: An unlimited number of signals and reports can be compared in the software. Comparisons can be made at any level, from group summaries to custom calculations."/></p>


Wiley Mass Spectra of Geochemicals, Petrochemicals and Biomarkers

Mass Spectra of Geochemicals, Petrochemicals and Biomarkers features 1,093 high-quality spectra of well-defined compounds, with structures confirmed by methods like NMR and x-ray crystallography—ideal for organic, geo, and petrochemists.

<h4><strong>Identify Key Biomarkers in Oil Exploration with Confidence</strong></h4><p>The <strong>Mass Spectra of Geochemicals, Petrochemicals and Biomarkers</strong> library offers <strong>1,093 high-quality spectra</strong> of well-defined compounds, ideal for organic, geo-, and petrochemical analysis. Structures were confirmed using techniques such as <strong>NMR and x-ray crystallography</strong>.</p><p>Collected by J. W. de Leeuw’s team at <strong>NIOZ</strong>, the data supports studies on <strong>biomacromolecules, lipid diagenesis, and organic sulfur chemistry</strong>. Compounds were carefully purified and span classes such as <strong>hydrocarbons, terpenes, steroids, and sulfur/oxygen compounds</strong>.</p><p><strong>Highlights:</strong></p><ul><li>1,093 spectra of &gt;1,080 unique compounds</li><li>Includes degradation products and diverse hydrocarbon types</li><li>Supports most major MS instrument formats</li></ul><p>Search compound coverage at: <a target="_blank" rel="noopener noreferrer" href="https://www.compoundsearch.com">www.compoundsearch.com</a></p>

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