<p><strong>Polycyclic aromatic hydrocarbons (PAHs) are a prominent class of organic compounds that have raised significant concerns due to their presence in various environmental and food matrices. These compounds are composed of multiple aromatic rings and are primarily formed during the incomplete combustion of organic matter. Sources of PAHs range from natural processes like forest fires to human activities such as vehicle emissions, tobacco combustion, and food preparation techniques like grilling or smoking.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Unveiling_the_Advanced_Workflow_for_PAH_Analysis_in_Smoke_Flavored_Foods_427c35f34b.jpg" alt="Thermo Fisher Scientific: Unveiling the Advanced Workflow for PAH Analysis in Smoke Flavored Foods." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Unveiling_the_Advanced_Workflow_for_PAH_Analysis_in_Smoke_Flavored_Foods_427c35f34b.jpg 234w," sizes="100vw" width="1024" height="683"></p><p>In the food industry, PAHs are particularly relevant in the context of smoke-flavored products. While smoke flavorings enhance the sensory properties of foods, they also pose potential risks due to the formation of PAHs during the smoking process. As such, stringent analytical methods are essential for detecting and quantifying PAHs to ensure consumer safety. In this blog, we explore a comprehensive <strong>GC-MS/MS</strong> workflow specifically designed for <strong>PAH analysis in smoke-flavored foods</strong>, with a focus on innovation in <strong>sample preparation, instrumental sensitivity,</strong> and <strong>regulatory compliance</strong>.</p><h3 id="h-understanding-smoke-flavors-and-pahs"><strong>Understanding smoke flavors and PAHs</strong></h3><p>Smoke flavorings are derived from the controlled combustion of specific wood types, which are subsequently condensed, fractionated, and purified. These flavorings are used in foods such as fish, meat, sauces, and even snacks to replicate traditional smoking processes. <strong>The primary flavoring components</strong> include <strong>phenols </strong>and <strong>carbonyl compounds</strong> (aldehydes and ketones).</p><p>However,<strong> </strong>PAHs can also be introduced during this process. Examples include <strong>naphthalene</strong> (two aromatic rings), <strong>anthracene</strong>, and <strong>phenanthrene</strong> (three aromatic rings), which are considered<strong> lower molecular weight PAHs</strong>, alongside <strong>heavier compounds </strong>such as <strong>benzo(a)pyrene</strong> and <strong>coronene</strong>. Regulatory frameworks in the European Union (e.g., Regulation (EC) No. 2065/2003) ensure that only authorized smoke flavoring products are used, with maximum allowable levels for PAHs.</p><h3 id="h-the-challenges-of-pah-analysis-in-food-matrices"><strong>The challenges of PAH analysis in food matrices</strong></h3><p>Analyzing PAHs in food matrices, particularly those with high-fat content, presents unique challenges. These include:</p><ol><li><strong>Complexity of matrices</strong>: Foods like smoked trout and tofu contain fats and proteins that can interfere with analytical detection.</li><li><strong>Stringent detection requirements</strong>: Regulatory limits demand detection of PAHs at extremely low concentrations (picogram to femtogram levels).</li><li><strong>Sample throughput</strong>: Laboratories need workflows that are both sensitive and efficient to handle routine analysis of multiple samples daily.</li></ol><h3 id="h-a-comprehensive-workflow-for-pah-analysis"><strong>A comprehensive workflow for PAH analysis</strong></h3><h5><strong>1. Sample preparation: The foundation of accurate results</strong></h5><p>Sample preparation is a critical step in PAH analysis, especially for fat-containing matrices. A robust and systematic approach minimizes matrix interferences and enhances analyte recovery. The workflow includes:</p><ul><li><strong>Homogenization</strong>: A 5-gram sample is weighed and homogenized in a glass tube. Internal standards are added, followed by equilibration for 10 minutes.</li><li><strong>Liquid extraction</strong>: Samples are extracted using hexane in an ultrasonic bath. This process is repeated five times to ensure thorough extraction.</li><li><strong>Evaporation and cleanup</strong>: Extracts are evaporated to 1 mL and subjected to Solid Phase Extraction (SPE). Two SPE steps are employed:<ul><li><strong>Primary SPE (HyperSep Florisil)</strong>: Removes major interferences.</li><li><strong>Secondary SPE (HyperSep Phenyl)</strong>: Further purifies the sample for precise GC-MS/MS analysis.</li></ul></li></ul><h5><strong>2. Advanced instrumentation: The role of GC-MS/MS</strong></h5><p>Instrumentation plays a pivotal role in achieving the sensitivity required for PAH detection. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/485"><strong>Thermo Scientific TSQ 9610 GC-MS/MS</strong></a> system incorporates cutting-edge technologies to address the demands of PAH analysis:</p><ul><li><strong>Advanced electron ionization (AEI)</strong>: This ion source provides superior sensitivity through highly efficient ionization and a tightly focused ion beam. This ensures robustness even with challenging matrices.</li><li><strong>NeverVent technology</strong>: Unique design features allow vent-free column and ion source exchanges, maximizing instrument uptime.</li><li><strong>Dual filament design</strong>: Extends the operational lifespan and reduces maintenance frequency.</li></ul><h5><strong>3. Importance of glass quality in analytical accuracy</strong></h5><p>The quality of glass materials used in vials and liners significantly impacts analytical outcomes. <strong>Thermo Fisher Scientific’s LinerGold technology</strong> addresses the challenges posed by active glass surfaces that can adsorb PAHs, leading to signal loss or contamination. By providing highly inert glass materials, the workflow ensures consistent and accurate results.</p><h3 id="h-results-and-key-findings"><strong>Results and key findings</strong></h3><p>The GC-MS/MS workflow for PAH analysis has been rigorously tested on various food matrices, demonstrating its robustness and reliability. Key findings include:</p><ul><li><strong>Ultra-low detection limits</strong>: The system achieves femtogram-level detection, with examples such as chrysene (150 fg in smoked trout) and coronene (320 fg in smoked trout).</li><li><strong>Precision and reproducibility</strong>: Calibration curves for compounds like pyrene and benzo(k)fluoranthene exhibit excellent linearity, ensuring reliable quantification.</li><li><strong>Wide applicability</strong>: The workflow performs well across diverse matrices, from smoked trout to tofu, maintaining compliance with regulatory limits.</li></ul><h3 id="h-regulatory-compliance-and-consumer-safety"><strong>Regulatory compliance and consumer safety</strong></h3><p>Ensuring compliance with EU regulations is a cornerstone of PAH analysis in smoke-flavored foods. The presented workflow not only meets these standards but also provides a scalable solution for routine laboratories. By integrating advanced sample preparation, state-of-the-art instrumentation, and high-quality consumables, laboratories can confidently deliver accurate and reliable results.</p><h3 id="h-conclusions-and-future-perspectives"><strong>Conclusions and future perspectives</strong></h3><p>The detection and quantification of PAHs in smoke-flavored foods require a synergistic approach that combines meticulous sample preparation with innovative GC-MS/MS technology. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/485"><strong>Thermo Scientific TSQ 9610</strong></a> system, with its AEI source and <strong>NeverVent technology</strong>, sets a new benchmark in analytical sensitivity and robustness.</p><p>This workflow underscores the importance of quality at every step—from sample preparation to vial selection—to achieve the necessary detection limits and regulatory compliance. As analytical demands evolve, these advancements pave the way for safer food production and enhanced consumer protection.</p><blockquote><h5><strong>Additional information:</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/485">TSQ 9610 Triple Quadrupole GC-MS</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/products-and-services/promotions/industrial/chromatography-columns-consumables-available-online.html">Chromatography Columns and Consumables Now Available Online</a></li></ul></blockquote><div><div><blockquote><h5><strong>Join our free webinars:</strong></h5><p>20.3.2025 English, 11 am CET, 1 hour<br><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4756">Advanced workflow for PAH analysis of smoke flavored foods</a></p><p>25.3.2025 German, 11 am CET, 1 hour<br><a target="_blank" rel="noopener noreferrer" href="https://event.on24.com/wcc/r/4835418/2EEB616DFE5F57C6587BA5984198FE55">Innovativer Workflow für die PAK-Analyse in Lebensmitteln mit Raucharoma</a><br><br>After the actual dates they are available on demand using the same links.</p></blockquote></div></div><blockquote><h5><strong>Visit us on </strong><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/"><strong>LinkedIn:</strong></a><strong> </strong>#SmokeFlavors #Pah #GCMS #Consumables</h5></blockquote><section><blockquote><h4><strong>Petra Gerhards</strong></h4><p>Petra Gerhards, Dipl-Ing, is Regional Marketing Manager of GC and GC-MS for EMEA at Thermo Fisher Scientific. She has more than 29 years of experience in the fields of GC-MS, SPE and LC-MS. Since joining the regional team she has contributed to workflow solutions combining vials and closures with SPE solutions, GC-MS and LC-MS. She works with KOL's on data for regional specific marketing campaigns, organizes in-house seminars and works on customer specific solutions. Her main expertise is in the field of doping and drugs-of-abuse analysis.</p></blockquote></section>

Unveiling the Advanced Workflow for PAH Analysis in Smoke Flavored Foods

<p><strong>Lithium-ion batteries (LIBs) have transformed energy storage technology, driving innovations for products we use in everyday life such as smartphones and even electric vehicles. But what makes these batteries so efficient? A key component is the electrolyte solution, a complex mix that’s crucial for battery performance. GC-MS or gas chromatography-mass spectrometry is an essential tool in analyzing these electrolyte mixtures and the development of increased efficiency and longer-lasting batteries.</strong></p><figure class="image"><img style="aspect-ratio:1024/551;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Electrifying_Insights_How_GC_MS_is_Powering_Lithium_Ion_Battery_Analysis_29d144ea28.jpg" alt="Thermo Fisher Scientific: Electrifying Insights: How GC-MS is Powering Lithium-Ion Battery Analysis." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Electrifying_Insights_How_GC_MS_is_Powering_Lithium_Ion_Battery_Analysis_29d144ea28.jpg 245w," sizes="100vw" width="1024" height="551"></figure><h4><strong>Why Analyze Electrolytes?</strong></h4><p><strong>Electrolyte solutions are the essence of lithium-ion batteries, impacting:</strong></p><ul><li><strong>Performance</strong>: The right mix ensures faster charging and longer battery life.</li><li><strong>Safety</strong>: Accurate composition prevents overheating and potential hazards.</li><li><strong>Lifespan</strong>: Understanding degradation helps design components that last longer.</li></ul><p>Getting the electrolyte mix right is vital for efficient, safe, and durable batteries.</p><p><strong>However, analyzing electrolytes is complex and comes with a number of challenges:</strong></p><ol><li><strong>Complex Mixture</strong>: Electrolytes consist of various organic solvents, additives, and degradation products. This complexity requires sophisticated technology to separate and identify components.</li><li><strong>Heat Sensitivity</strong>: Components like LiPF6 can degrade at high temperatures, creating new compounds that complicate analysis.</li><li><strong>Trace Additives</strong>: Some additives are present in low concentrations but play a critical role in battery performance. Detecting these components demands highly sensitive methods.</li><li><strong>Degradation Products</strong>: Battery cycling produces byproducts that can interfere with the main components. It’s like trying to find a book in a disorganized library.</li></ol><p><strong>This is where GC-MS becomes an essential analytical tool. This powerful technique provides a detailed look into the composition of LIB electrolytes. The analysis follows a number of steps:</strong></p><ul><li><strong>Sample Prep</strong>: LIB electrolyte samples are diluted in dichloromethane and centrifuged to remove interfering salts.</li><li><strong>GC Separation</strong>: Samples are run through a gas chromatograph which uses a programmed temperature ramp ensures all components are separated within a 23-minute window.</li><li><strong>MS detection</strong>: After separation, the mass spectrometer operating in full scan and selected ion monitoring (SIM) provides detailed qualitative and quantitative data.</li></ul><p>Figure 1 shows the difference in selectivity between full scan and SIM mode. Vinylene carbonate is not detected in full scan at a 1 to 500 dilution due to the lack of selectivity and interference in full scan acquisition. However, by using SIM the ions of interest are isolated in the quadrupole increasing selectivity and allowing vinylene carbonate to be quantified at a low level.</p><figure class="image"><img style="aspect-ratio:881/694;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Electrifying_Insights_How_GC_MS_is_Powering_Lithium_Ion_Battery_Analysis_Figure_1_Full_scan_and_SIM_acquisition_of_vinylene_carbonate_in_cycled_LIB_electrolyte_at_1_500_dilution_6803793369.jpg" alt="Thermo Fisher Scientific: Figure 1. Full scan and SIM acquisition of vinylene carbonate in cycled LIB electrolyte at 1:500 dilution." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Electrifying_Insights_How_GC_MS_is_Powering_Lithium_Ion_Battery_Analysis_Figure_1_Full_scan_and_SIM_acquisition_of_vinylene_carbonate_in_cycled_LIB_electrolyte_at_1_500_dilution_6803793369.jpg 198w," sizes="100vw" width="881" height="694"></figure><p><strong>GC-MS brings several advantages to electrolyte analysis:</strong></p><ul><li><strong>Precise Separation</strong>: Achieves excellent separation of multiple components, ensuring accurate readings without co-elution issues.</li><li><strong>High Sensitivity</strong>: Detects even trace amounts of additives—down to 0.021 mg/L.</li><li><strong>Broad Range</strong>: Handles a wide concentration range, analyzing both major and minor components in one go.</li><li><strong>Degradation Insights</strong>: Reveals compositional shifts in cycled electrolytes, providing clues about the aging process of batteries.</li></ul><div><div><h4><strong>Why this analysis is important?</strong></h4><p>Understanding the detailed composition and changes in LIB electrolytes is crucial. It helps researchers and manufacturers fine-tune battery designs for enhanced performance, safety, and durability. While the analysis can be complex, the insights gained are invaluable.</p><p>So next time you charge your device remember the sophisticated science behind that battery. Tools like GC-MS are enabling battery technological advances to be made, ensuring the future of battery technology.</p><blockquote><p>For full details on this analysis<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_001124_gc_ms_isq_7610_li_battery_electrolyte_an001124_na_en_4df8612386/an-001124-gc-ms-isq-7610-li-battery-electrolyte-an001124-na-en.pdf"><strong>&nbsp;</strong></a><a target="_blank" rel="noreferrer noopener" aria-label="read the full application note. - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="https://assets.thermofisher.com/tfs-assets/cmd/application-notes/an-001124-gc-ms-isq-7610-li-battery-electrolyte-an001124-na-en.pdf$readthefullapplicationnote."><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_001124_gc_ms_isq_7610_li_battery_electrolyte_an001124_na_en_4df8612386/an-001124-gc-ms-isq-7610-li-battery-electrolyte-an001124-na-en.pdf"><strong>read the full application note.</strong></a></a> For further details on how GC-MS can power your analysis, <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/mass-spectrometry/gas-chromatography-mass-spectrometry-gc-ms/gc-ms-systems/single-quadrupole-gc-ms.html"><strong>visit our website.</strong></a></p><h5><strong>Visit us on </strong><a target="_blank" rel="noreferrer noopener" aria-label="LinkedIn: - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="https://www.linkedin.com/showcase/72003132/admin/dashboard/$linkedin:"><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/"><strong>LinkedIn:</strong></a></a><strong> </strong>#LithiumIonBatteries #GCMS #BatteryMaterialAnalysis</h5><section><h4 data-uw-rm-heading="level" role="heading" aria-level="2"><strong>Adam Ladak</strong></h4><div itemprop="description">Adam Ladak is the global product marketing manager for GC quadrupole mass spectrometry at Thermo Fisher, based in the UK. He started his career working in a contracting testing lab analyzing sports supplements and horse feed for prohibited substances. He has over 20 years of experience in the analytical testing industry and has worked for leading instrument manufacturers in various roles from an application specialist to a global marketing role focused on food and environmental testing. Adam is passionate about utilizing our GCMS instrumentation to meet the customer needs and solve real world problems.</div></section></blockquote></div></div>

Electrifying Insights: How GC-MS is Powering Lithium-Ion Battery Analysis

<p><strong>Christmas are time of the year to celebrate and reflect on the year gone by, and to catch up with friends or family (or both). What better way to do it, than over your favourite drink (alcoholic or not). Coming from Scotland, my go-to festive tipple has always been Whisky (yes, that’s the way we spell it).&nbsp;</strong></p><p>A drink with such popularity, complexity and let’s be honest – some high price tags! Walk through any airport and marvel at the choice on offer and of course some eye watering prices. It’s a revered spirit with a history as rich as its flavor, has always been synonymous with tradition, craftsmanship, and quality. However, the increasing demand for premium whisky has led to a surge in adulteration practices, posing significant challenges for consumers and producers alike.&nbsp;</p><p>In this blog, we delve into the intricacies of whisky adulteration and explore how cutting-edge technology, specifically the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Thermo Scientific Orbitrap Exploris GC 240 mass spectrometer</strong></a>, is revolutionizing the fight against counterfeit whisky and ensuring your Christmas cheer is genuine.</p><figure class="image"><img style="aspect-ratio:1024/512;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_The_Spirit_of_Christmas_Ensuring_the_Quality_and_Authenticity_of_Whisky_3_33aa2173ac.jpg" alt="Thermo Fisher Scientific: The Spirit of Christmas - Ensuring the Quality and Authenticity of Whisky" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_The_Spirit_of_Christmas_Ensuring_the_Quality_and_Authenticity_of_Whisky_3_33aa2173ac.jpg 245w," sizes="100vw" width="1024" height="512"></figure><h3 id="h-understanding-whisky-adulteration" data-uw-rm-heading="level" role="heading" aria-level="2"><strong>Understanding whisky adulteration</strong></h3><p>Whisky adulteration can take several forms, each compromising the integrity of the spirit.</p><ol><li><strong>Artificial Whisky Creation: </strong>This involves mixing various chemicals to mimic the flavor and aroma of genuine whisky. The absence of safety controls over the quality and concentration of these chemicals raises health concerns.</li><li>&nbsp;Bottles may be falsely labelled with more expensive brands or incorrect maturation periods. This type of adulteration often involves adding artificial colours or using heat to accelerate the aging process, giving the appearance of a well-aged whisky without the time investment.</li></ol><p>For the consumer its hard, or even impossible, to distinguish between a budget blended whisky and a genuinely aged single malt whisky. Furthermore, how could you tell if a whisky had been aged for 10 years or 25 years (apart from the higher price). You can see the economic motivation for the whisky fraudster.</p><h3 id="h-the-role-of-advanced-technology"><strong>The role of advanced technology</strong></h3><p>To combat these sophisticated adulteration techniques, a robust and precise analytical approach is essential. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Orbitrap Exploris GC 240</strong></a>, combined with <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/order/catalog/product/36SP03M5"><strong>headspace solid-phase microextraction (SPME Arrow)</strong></a><strong> </strong>via the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/422"><strong>Thermo Scientific TriPlus RSH SMART Autosampler</strong></a>, offers a powerful solution for the comprehensive characterization of whisky.</p><h3 id="h-workflow-for-finding-the-differences"><strong>Workflow for finding the differences</strong></h3><p>The workflow shown in figure 1 for differential analysis of whisky using the <strong>Orbitrap Exploris GC 240 mass spectrometer</strong> is straightforward yet highly effective:</p><ol><li><strong>Sample Preparation:</strong> Whisky samples (100 µl) are aliquoted directly into vials and mixed with water (900 µl). After heating, SPME Arrow was used to sample from the vial headspace, which allows for efficient extraction of volatile compounds.</li><li><strong>Chemical Profiling: </strong>The samples are analyzed in EI full scan at 120,000 mass resolving power (FWHM m/z 200) using the Orbitrap Exploris GC 240. This provides comprehensive high-resolution and accurate mass data that enables the detection of subtle differences in the chemical profiles of different whisky samples.</li><li><strong>Data Analysis: </strong>The data is processed using <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-software/multi-omics-data-analysis/compound-discoverer-software.html"><strong>Thermo Scientific Compound Discoverer software</strong></a>, which incorporates a high-resolution accurate mass flavor and fragrance library. This facilitates the identification of compounds and comparison between samples.</li></ol><figure class="image"><img style="aspect-ratio:602/257;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_The_Spirit_of_Christmas_Ensuring_the_Quality_and_Authenticity_of_Whisky_2_dbdc69f6e0.jpg" alt="Thermo Fisher Scientific: Figure 1. Workflow from left to right showing how from data acquisition in full scan we move from peak detection, to identifying unique components in a sample, to finally making a compound identification." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_The_Spirit_of_Christmas_Ensuring_the_Quality_and_Authenticity_of_Whisky_2_dbdc69f6e0.jpg 245w," sizes="100vw" width="602" height="257"></figure><h3 id="h-case-study-identifying-adulteration"><strong>Case study: identifying adulteration</strong></h3><p>In the study reported in application note 003094: “Non-targeted analysis of whisky using <strong>SPME Arrow</strong> and <strong>Orbitrap Exploris GC 240 mass spectrometer</strong>”, the differential analysis of whisky samples revealed significant insights (figure 2). The principal component analysis plot for whiskies of different age statement shows clear chemical differences between the samples. We can dive deeper into the data to see what compounds drive that difference. For instance, comparing sample 2 and sample 3 the results highlighted compounds unique to sample 2, such as higher levels of 2,3 – methyl-1-butanol and Furfural. These compounds are typically associated with Scotch malt whisky and indicate a longer and different maturation process, suggesting that sample 2 is a genuine aged whisky compared to sample 3.</p><figure class="image"><img style="aspect-ratio:602/350;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_The_Spirit_of_Christmas_Ensuring_the_Quality_and_Authenticity_of_Whisky_9d095fe6dc.jpg" alt="Thermo Fisher Scientific: Figure 2. Principal component analysis loading plot of whisky samples based on identified chemical profile from Compound Discoverer software." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_The_Spirit_of_Christmas_Ensuring_the_Quality_and_Authenticity_of_Whisky_9d095fe6dc.jpg 245w," sizes="100vw" width="602" height="350"></figure><h3 id="h-ensuring-quality-and-authenticity"><strong>Ensuring quality and authenticity</strong></h3><p>As the whisky market continues to grow, the importance of ensuring quality and authenticity cannot be overstated. Advanced analytical technologies like the <strong>Orbitrap GC-MS</strong> provide a <strong>powerful tool</strong> in the fight against whisky adulteration. By leveraging these technologies, producers can uphold the tradition and integrity of whisky, ensuring that every bottle delivers the genuine experience that consumers expect and deserve.</p><p>Whether you are a whisky enthusiast or a producer, understanding and utilizing these advanced technologies is key to preserving the heritage and quality of this beloved spirit.</p><p>So cheers, or as we say in Scotland “Slàinte Mhath” to authenticity and innovation in the world of whisky!</p><blockquote><section><h4><strong>Dominic Roberts</strong></h4><div itemprop="description">Dominic Roberts has been closely involved with the Thermo Scientific GC Orbitrap MS since its launch in 2015. He started at Thermo Fisher Scientific as a Senior Applications Specialist for the product and is currently the GC Orbitrap MS Product Marketing Manager. Dominic is an experienced analytical chemist and mass spectrometrist with more than 20 years of experience using state-of-the-art analytical systems. He has worked in both a regulatory and industrial environment with GC–MS and LC–MS systems to investigate a variety of chemicals in food, biological, and environmental samples.</div></section></blockquote>

The Spirit of Christmas: Ensuring the Quality and Authenticity of Whisky

<p><strong>As you embark on your festive celebrations, clinking glasses filled with delightful brews, have you ever considered the meticulous science behind that perfect sip? At Creature Comforts Brewing Co., ensuring each sip of your favorite drink, be it their seasonal festive IPA or my favorite the bold Flash Cat imperial IPA, tastes just right is a year-round commitment.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_The_Joy_of_Festive_Drinks_A_Cheerful_Tale_of_Consistency_2a360b32e9.jpeg" alt="Thermo Fisher Scientific: The Joy of Festive Drinks: A Cheerful Tale of Consistency." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_The_Joy_of_Festive_Drinks_A_Cheerful_Tale_of_Consistency_2a360b32e9.jpeg 245w," sizes="100vw" width="1024" height="512"></p><p>Nestled in Athens, Georgia, Creature Comforts has become a beacon of quality in the craft beer community since its inception in 2014. Their success lies not just in innovative brewing, but in an unwavering focus on consistency. For this they use an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484"><strong>advanced Gas chromatography mass spectrometry or GC-MS system</strong></a>. This instrument is a crucial tool in the brewery’s lab that ensures every batch of beer is <strong>consistent </strong>and meets the <strong>highest standards</strong>.</p><p>At Creature Comforts, an array of tests are performed which include checking for <strong>alcohol content, pH levels, density</strong>, and <strong>microbiological tests </strong>to ensure no beer-spoiling organisms are present. Among the most critical tests is the daily check of<strong> vicinal diketones</strong> (VDKs), compounds that can impart off-flavors if not properly controlled. The GC-MS system excels at performing these tests swiftly and accurately. The <strong>GC-MS</strong> system is also utilized for experimental trials, testing how variations in ingredients or processes might affect the final product.</p><p>In-house testing using such advanced equipment allows for rapid issue resolution and ensures that production rates remain high without sacrificing quality. By keeping sample handling within a controlled environment, contamination is avoided, and testing accuracy is maintained. Adding another layer of quality assurance is their sensory panel, a group of trained tasters who subject each batch to rigorous tasting sessions. This panel functions like Santa’s little helpers, making sure only the best brews make it to your holiday celebrations. Any batch that doesn’t meet their expectations is promptly held back for further adjustments.</p><p>So, this festive season, as you enjoy a glass of your favorite holiday beer, take a moment to appreciate the dedication and precision that goes into each sip. Behind every beer, lies a commitment to quality and consistency that makes your celebrations a bit more special. Here’s to the craft brewers who ensure our festive drinks are always delightful, maintaining the joy and cheer of the season, one sip at a time. Happy holidays and cheers to consistent quality!</p><blockquote><p>For more insights into the dedication and science behind Creature Comforts’ brewing process, check out the <a target="_blank" rel="noopener" aria-label="full case study - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="https://assets.thermofisher.com/tfs-assets/cmd/reference-materials/cs-000433-gc-ms-flavors-volatiles-beer-cs000433-en.pdf$fullcasestudy"><a target="_blank" rel="noopener noreferrer" href="https://assets.thermofisher.com/TFS-Assets/CMD/Reference-Materials/cs-000433-gc-ms-flavors-volatiles-beer-cs000433-en.pdf"><strong>full case study</strong></a></a>.</p><p><strong>Visit our&nbsp;</strong><a target="_blank" rel="noreferrer noopener" aria-label="LinkedIn page - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="https://www.linkedin.com/showcase/chromatography-&amp;-mass-spectrometry/posts/?feedview=all$linkedinpage"><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/chromatography-&amp;-mass-spectrometry/posts/?feedView=all"><strong>LinkedIn page</strong></a></a><strong>:</strong> #GCMS #QC</p></blockquote><section><blockquote><h4 data-uw-rm-heading="level" role="heading" aria-level="2"><strong>Adam Ladak</strong></h4><div itemprop="description">Adam Ladak is the global product marketing manager for GC quadrupole mass spectrometry at Thermo Fisher, based in the UK. He started his career working in a contracting testing lab analyzing sports supplements and horse feed for prohibited substances. He has over 20 years of experience in the analytical testing industry and has worked for leading instrument manufacturers in various roles from an application specialist to a global marketing role focused on food and environmental testing. Adam is passionate about utilizing our GCMS instrumentation to meet the customer needs and solve real world problems.</div></blockquote></section>

The Joy of Festive Drinks: A Cheerful Tale of Consistency

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 3rd March 2025? 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 poster by <strong>Agilent Technologies </strong>and application notes by<strong> Knauer, Shimadzu </strong>and <strong>Thermo Fisher Scientific</strong>!</p><h4><strong>1. Agilent Technologies: GC/MS Approach for Analysis of</strong><br><strong>Extractables and Leachables (E&amp;L) in Complex Matrices Using Spectral Deconvolution and Retention Indices</strong></h4><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_7250_5977c_extractable_leachable_asms_2024_mp208_en_agilent_71b19d3b16.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Modern drug delivery systems are meant to protect a drug from environmental contamination, but they may also be a source of contamination. It is necessary to identify those compounds that can extract, leach, or migrate from the package or device. Extractables and leachables analysis presents a challenge for GC/MS because of the complexity of the various sample matrices and a diverse range of compounds to be identified. This study demonstrates how unit resolution GC/MS workflow is employed for identifying GC-amenable E&amp;L compounds by leveraging spectral deconvolution in combination with retention index-based time filtering. An addition of the accurate mass high-resolution GC/Q-TOF into the workflow provided extra confidence in compound identification, sensitivity and capability of structural elucidation.&nbsp;</p><p>Operating in the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=OpenLab+ECM"><strong>OpenLab Electronic Content Management </strong></a>(ECM) XT configuration enabled tools that help facilitate compliance with various national and EU electronic record regulations, including audit trails, and remote data storage.</p><h5><strong>Experimental</strong></h5><p>Rubber syringe gaskets were extracted using tetrahydrofuran (THF) solvent at room temperature for six months. An aliquot of the extracts was analyzed using both <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=GC%2FMSD"><strong>GC/MSD</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=GC%2Fq-TOF"><strong>GC/Q-TOF</strong></a> systems. The acquisition software operated under a unified compliance environment. The instrumental parameters are shown in Table 1. The chromatographic deconvolution and library search were performed in the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=MassHunter"><strong>MassHunter</strong></a> Unknowns Analysis 12.1. The NIST23 library was used to perform initial compound identification. Structural elucidation was performed using Molecular Structure Correlator (MSC) software 8.2.&nbsp;</p><p>Retention time locking was used to achieve the same retention times between multiple GC/MSD and GC/Q-TOF systems allowing for using both retention index and retention time matching.</p><h5><strong>Conclusions</strong></h5><ul><li>The optimized GC/MSD and GC/Q-TOF approach for analysis of extractables and leachables allowed for identifying over 150 compounds in a complex E&amp;L extract&nbsp;</li><li>High-resolution GC/MS enabled identification of over 60 additional components with increased confidence and structure elucidation of the unknowns&nbsp;</li><li>The novel ultra low bleed Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=J%26W+DB-5Q"><strong>J&amp;W DB-5Q</strong></a> GC column resulted in significant decrease in background, that could potentially yield higher number of identifications of late eluting compounds.</li></ul><h4><strong>2. Knauer: GPC cleanup method for soil samples before PAHs analysis</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/VEV_0082_GPC_Cleanup_of_soil_samples_FINAL_web_5260b86091.pdf"><strong>Full PDF for download</strong></a></li></ul><p>GPC (Gel Permeation Chromatography) is a size-exclusion clean-up procedure that readily separates high molecular weight interferents from sample extracts using organic solvents and a porous hydrophobic gel (primarily a crosslinked divinylbenzene-styrene copolymer) [1]. It is possible to distinguish between different types of Bio-Beads resin based on the type of cross-linkage. In this application Bio-Beads S-X3 with 200–400 mesh was used according to EPA method 3640 [1]. GPC clean-up can be used extensively in numerous environmental analysis especially for preparing sample extracts prior to semivolatile compounds determination, such as pesticide, and PAHs analysis by GC/MS or HPLC-UV-DAD. Sample cleanup is particularly important for analytical separations such as GC, HPLC, and electrophoresis because high-boiling materials can cause a variety of problems in analytical systems, like analyte adsorption in the injection port or in front of a GC or LC column [2]. GPC cleanup protects GC and HPLC columns, reduces analytical maintenance costs, improves accuracy, and allows lower detection limits.</p><h5><strong>Materials and Methods</strong></h5><p>Extraction of Polycyclic Aromatic Hydrocarbons was carried out using Accelerated Solvent Extraction (ASE), according to the 3545A EPA method [3]. Bio-Beads S-X are supplied dry and must be swollen prior to pack into a chromatographic column. A mixture of cyclohexane and dichloromethane (70:30, v:v) is suitable for clean-up of soil samples. As a general rule, the beads should be swollen in the same solvent chosen as mobile phase, so 10 g of Bio-Beads S-X3 were swelled with 50 mL of cyclohexane and dichloromethane mixture (70:30, v:v) overnight. After the beads were fully swollen, they were packed into a chromatographic column. Before sample cleanup, GPC column was equilibrated with the desired solvent mixture, flushing it almost three times the column volume at 1 mL/min. Cleanup method was performed with AZURA® GPC Cleanup System, which is operated with the Mobile Control Chrom® Software running on a tablet directly mounted on the system. The identification and quantification of PAHs was carried out by GC-MS/MS analysis. Calibration curves were constructed in the concentration range from 10 μg/L to 130 μg/L. To perform GC separation and MRM acquisition, optimization of the best chromatographic and detection conditions was necessary.</p><h5><strong>Conclusion</strong></h5><p>This application shows how to perform GPC cleanup with KNAUER AZURA® GPC Cleanup System for the analysis of PAHs in soil samples. This report is very detailed to ensure good performance in GPC cleanup for application in environmental area. We can conclude that AZURA GPC Cleanup System is an helpful tool for sample preparation before instrumental analysis because, unlike other techniques, is very useful for the removal of high boiling materials which would contaminate injection ports and column heads, prolonging column life, stabilizing the instrument, and reducing column reactivity. It could be considered an universal cleanup technique for a broad range of semivolatile organics and pesticides. Moreover, AZURA GPC Cleanup System allows the customer to process many extracted samples, with a reduction in time for the cleanup procedures.</p><h4><strong>3. Shimadzu: Blood alcohol content (BAC) analysis using a liquid injection approach</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/AP_Blood_alcohol_content_via_liquid_injection_SCA_180_051_294d6843f8.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>Blood alcohol analysis using liquid injection is an alternative to the headspace</li><li>analysis of blood samples for clinical purposes</li><li>It provides reliable results for whole blood and plasma samples without adverse matrix effects&nbsp;</li></ul><p>Blood alcohol content (BAC) is relevant for legal regulations regarding driving limits, but also investigated for forensic and clinical purposes with respect to poisoning. Blood alcohol analysis does not only focus on ethanol, which is the classical drinking alcohol, but also investigates other alcoholic substances like methanol and isopropanol as well as metabolites like acetone. Ethanol is present in alcoholic beverages, but also used for antiseptics, various daily life products, and pharmaceuticals. Being a central nervous system depressant, consumption can cause severe intoxication with toxic levels at above 100 mg/dL blood [1]. Methanol intoxication could originate from the consumption of counterfeit alcohol, with as few as 30 mL pure methanol consumed being potentially lethal [2]. Isopropanol is widely used as solvent or antiseptic in households and sometimes used as cheap substitute for ethanol by alcohol abusers. It is metabolized by alcohol dehydrogenase to acetone, which alike isopropanol is a central nervous depressant [3].</p><p>Blood alcohol analysis can be performed using gas chromatography (GC) with flame-ionization detection (FID). Due to the complexity of blood as matrix, headspace analysis is a widely used technique for simple sample transfer onto the GC column, which is especially valuable in forensics, where the matrix states investigated can drastically vary depending on the time the sample is taken. For clinical analysis, fresh blood is used, making the sample more uniform. In this approach, the analysis of BAC using a liquid injection technique as alternative to headspace sampling is presented.</p><h5><strong>The Package</strong></h5><p>The recommended analytical hardware and software configuration is listed below.</p><ul><li><strong>Main Unit</strong><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=nEXIS+gc-2030+%28fid%29"><strong>Nexis GC-2030 with FID-2030</strong></a>: Gas chromatograph with flame ionization detector</li></ul></li><li><strong>Accessory</strong><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=AOC-30i+"><strong>AOC-30i </strong></a>autosampler: Liquid autosampler with 30 vials capacity</li></ul></li><li><strong>Main Consumables</strong><ul><li>SH-BAC1 column (30 m x 0.32 mm x 1.8 µm;</li><li>P/N 221-76135-30)</li></ul></li><li><strong>Software</strong><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=LabSolutions+LCGC"><strong>LabSolutions LCGC</strong></a></li></ul></li></ul><h4><strong>Conclusion</strong></h4><p>Liquid sample injection presents a reliable alternative to headspace injection when analyzing blood samples for clinical purposes. Ethanol and methanol can be determined from whole blood, isopropanol and acetone from plasma samples without adverse matrix effects. Both whole blood and plasma analysis can be done using the same analytical method and one data processing approach, facilitating data evaluation and routine work.</p><h4><strong>4. Thermo Fisher Scientific: Trace analysis of volatile organic compounds in wastewater according to U.S. EPA Method 624.1&nbsp;</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.cz/labrulez-bucket-strapi-h3hsga3/an_003068_gc_gc_ms_isq_7610_epa_624_1_an003068_na_en_2297d596f3.pdf"><strong>Full PDF for download</strong></a></li></ul><p>It is crucial that analytical testing laboratories monitor wastewater for the presence of volatile organic compounds (VOCs). VOCs are human-made contaminants used and produced in the processing of paints, adhesives, petroleum products, pharmaceuticals, and refrigerants. If they are released into wastewater from industrial activities, they can have an adverse effect on the natural environment and, ultimately, the public.<sup>1</sup> U.S. EPA Method 624.1 is an approved test method under the Clean Water Act<sup>2</sup> for determination of purgeable organic pollutants in industrial discharges and other environmental samples. The accurate detection and quantitation of VOCs via this method help ensure wastewater is not contaminated. Due to technological advances in analytical instrumentation and techniques, U.S. EPA Method 624.1 allows the analyst to modify P&amp;T parameters and GC/MS conditions. This can result in reduced sample run time and increased laboratory throughput in a 12-hour period.&nbsp;</p><p>To perform U.S. EPA Method 624.1, method acceptance criteria must be achieved. These criteria include creating a working calibration curve, method detection limits (MDLs), and Initial Demonstration of Capability (IDC) of accuracy and precision for target compounds. As the sample matrix is water, it is essential that moisture is reduced, limiting the impact on the analytical column as this could damage the column and affect the results.&nbsp;</p><p>The following evaluation describes the use of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=ISQ+7610"><strong>ISQ 7610</strong></a> GC-MS system coupled with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TRACE+1610"><strong>TRACE 1610 GC</strong></a> equipped with the Thermo Scientific™ HeSaver-H2 Safer™ split/splitless injector and a Teledyne LABS Tekmar Lumin P&amp;T concentrator paired with the AQUATek LVA autosampler for U.S. EPA Method 624.1 for the analysis of wastewater.</p><h5><strong>Experimental</strong></h5><h5><strong>GC-MS parameters&nbsp;</strong></h5><p>A TRACE 1610 GC was coupled to the ISQ 7610 MS equipped with a Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=NeverVent"><strong>NeverVent™ </strong></a>vacuum probe interlock (VPI) and a Thermo Scientific™ ExtractaBrite™ ion source. A Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TraceGOLD"><strong>TraceGOLD™ TG-VMS</strong></a>, 30 m × 0.25 mm, 1.4 µm film column (P/N 26080-3320) was used for compound separation. The HeSaver-H2 Safer injector was utilized which reduces the carrier gas consumption by decoupling the gas used for the chromatographic separation from the gas used to pressurize the inlet and maintain split and purge flows. The critical separations were maintained with a run time of under 13 minutes.&nbsp;</p><p>For this analysis, the ISQ 7610 MS was operated in full scan mode, ensuring the sensitivity needed for required the method detection limits. Nevertheless, the instrument could operate in Selected Ion Monitoring (SIM) mode for increased selectivity, if needed. Extended method parameters for the ISQ 7610 MS are shown in Table 2.</p><h5><strong>Conclusion</strong></h5><p>The ISQ 7610 MS system with the VPI coupled with the Teledyne LABS Tekmar Lumin P&amp;T concentrator paired with the AQUATek LVA autosampler exceeds all the requirements outlined in U.S. EPA Method 624.1 for analysis of VOCs in wastewater:</p><ul><li>MDLs calculated from n=7 repeat injections of 0.5 ppb water standards showed no interference from unwanted water entering the system and resulted in values &lt;0.15 ppb for most compounds.</li><li>Precision and accuracy for n=7 20 ppb water standards showed excellent results with %RSD &lt;20% and mean recovery of 93% for the compounds.</li><li>System robustness was tested by continuously acquiring 209 injections of water samples over two days with no user intervention at all. The average %RSD of the calculated concentration was 6.5% over this robustness study.</li><li>Utilizing the HeSaver-H2 Safer technology reduced helium consumption for the method by 4 times, reducing laboratory overheads.&nbsp;</li></ul><p>Further information on VOC analysis using the ISQ 7610 system and the Tekmar Lumin P&amp;T paired with the AQUATek LVA can be found in the Thermo Fisher Scientific AppsLab library.<sup>3</sup><br>&nbsp;</p>

News from LabRulezGCMS Library - Week 10, 2025

<p><strong>Polycyclic aromatic hydrocarbons (PAHs) are a group of organic compounds with two or more fused aromatic rings. They are found in fossil fuels and are produced by the incomplete combustion of organic matter, making them ubiquitous in the environment. Due to their potential toxic effects, including carcinogenicity and endocrine disruption, PAHs are closely monitored in the environment, especially in soil and water samples.&nbsp;</strong></p><p>However, the analysis of PAHs in environmental samples presents several challenges, particularly when adhering to stringent regulatory requirements such as the <strong>U.S. EPA Method 8270E1</strong>. In this blog, we will explore these challenges and how advanced GC-MS technology can be utilized to address and overcome these challenges.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Tackling_PAH_Analysis_in_Environmental_Samples_Overcoming_the_Challenges_with_Advanced_GC_MS_Technology_8ba846d208.jpg" alt="Thermo Fisher Scientific: Tackling PAH Analysis in Environmental Samples - Overcoming the Challenges with Advanced GC-MS Technology." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Tackling_PAH_Analysis_in_Environmental_Samples_Overcoming_the_Challenges_with_Advanced_GC_MS_Technology_8ba846d208.jpg 245w," sizes="100vw" width="1024" height="576"></p><h3 id="h-challenges-in-pah-analysis" data-uw-rm-heading="level" role="heading" aria-level="2"><strong>Challenges in PAH Analysis</strong></h3><h4 id="h-1-regulatory-compliance" data-uw-rm-heading="level" role="heading" aria-level="3"><strong>1. Regulatory Compliance</strong></h4><p>Compliance with <strong>EPA Method 8270E</strong> requires specific tuning and calibration procedures. For instance, the method mandates the use of DFTPP (Decafluorotriphenylphosphine) tuning to ensure ion abundances are within acceptable limits. Additionally, maintaining consistent instrument performance over extended runs without maintenance is crucial to meet regulatory standards and ensure results are reported in a timely manner.</p><h4 id="h-2-complex-sample-matrix"><strong>2. Complex Sample Matrix</strong></h4><p>Environmental samples including soil and wastewater are complex matrices and contain interference that can affect the accurate detection and quantification of PAHs. The presence of isobaric compounds necessitates high chromatographic resolution to distinguish between closely eluting PAH compounds, such as benzo[b]fluoranthene and benzo[k]fluoranthene.</p><h4 id="h-3-wide-range-of-detection-levels"><strong>3. Wide Range of Detection Levels</strong></h4><p>PAH analysis must cover a wide range of detection levels across different matrices, from low parts-per-billion (ppb) to high parts-per-million (ppm) concentrations. This diversity necessitates a versatile analytical method capable of maintaining accuracy and precision across a broad dynamic range. Creating and managing multiple calibration curves for different concentration ranges and matrices can be time-consuming and prone to errors.</p><h3 id="h-overcoming-the-challenges-of-pah-analysis-in-environmental-samples"><strong>Overcoming the Challenges of PAH Analysis in Environmental Samples</strong></h3><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Tackling_PAH_Analysis_in_Environmental_Samples_Overcoming_the_Challenges_with_Advanced_GC_MS_Technology_2_e03ef1d953.jpg" alt="Thermo Fisher Scientific: Figure 1: Chromatographic separation and peak shape for 19 investigated PAHs, 5 labelled ISTD and 2 Surrogate standards in a solvent standard at 0.1 ppm acquired in SIM. Tracks of the quantification ions are reported for each peak in different colors. 1=Naphthalene-d8, 2=Naphthalene, 3=2-methyl Naphthalene, 4=1-methyl Naphthalene, 5=Acenaphthylene, 6=Acenaphthene, 7=Acenaphtene-d10 , 8=Dibenzofuran, 9=Fluorene, 10=Tribromophenol 2,4,6, 11=Phenantrene-d10 , 12=Phenantrene, 13=Anthracene, 14=Fluoranthene, 15=Terphenyl-d14, 16=Pyrene, 17=Benz[a]anthracene, 18=Chrysene-d12, 19=Chrysene 20=Benzo[b]fluoranthene, 21=Benzo[k]fluoranthene, 22=Benzo[a]pyrene, 23=Perylene-d12, 24=Dibenzo[a,h]anthracene, 25=Indeno[1,2,3-cd] pyrene, 26=Benzo[g,h,i]perylene" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Tackling_PAH_Analysis_in_Environmental_Samples_Overcoming_the_Challenges_with_Advanced_GC_MS_Technology_2_e03ef1d953.jpg 245w," sizes="100vw" width="1024" height="552"></p><p>A PAH analysis method was fully optimized on the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484"><strong>Thermo Scientific ISQ 7610 single quadrupole GC-MS system</strong></a>, equipped with the XLXR detector to overcome these challenges. For more information on the methods details and extensive data from the analysis you can review the full application note. The highlights of the benefits of using this GC-MS system include:</p><h4 id="h-1-wide-dynamic-range"><strong>1. Wide Dynamic Range</strong></h4><p>The XLXR detector offers an extended linear dynamic range and during this study over four orders of magnitude <strong>(2.5 ppb to 20 ppm)</strong> were covered for the <strong>19 PAHs </strong>analyzed. This wide dynamic range eliminates the need for separate calibration curves for different concentration ranges, simplifying the workflow and reducing the potential for errors.</p><p>Using a single calibration curve for multiple matrices, such as soil and water, offers significant advantages:</p><ul><li><strong>Simplified Workflow</strong>: A single calibration curve across a wide dynamic range streamlines the analytical process, reducing the time and effort required to prepare and manage multiple curves.</li><li><strong>Increased Throughput</strong>: By eliminating the need for separate curves, laboratories can analyze more samples in less time, enhancing productivity and reducing turnaround times.</li><li><strong>Improved Accuracy</strong>: Combined calibration curves minimize the potential for calibration errors, ensuring consistent and reliable quantification across different sample types.</li><li><strong>Versatility Across Matrices</strong>: The ability to use a single calibration curve for different matrices (e.g., soil and water) enhances the versatility of the analytical method, making it easier to adapt to various environmental sample types without compromising accuracy.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Tackling_PAH_Analysis_in_Environmental_Samples_Overcoming_the_Challenges_with_Advanced_GC_MS_Technology_3_3_539d6ad458.jpg" alt="Thermo Fisher Scientific: Figure 2: Examples of Average Response Factor calibration curve for some of the 19 PAHs analyzed, (from left to right: Naphthalene, Dibenzofuran, Phenantrene, Fluoranthene, Benzo[b]fluoranthene), Benzo[g,h,i]perylene, annotated with the %RSD. Linearity spans over 5 orders of magnitudes, from 2.5 to 20000 ng/mL." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Tackling_PAH_Analysis_in_Environmental_Samples_Overcoming_the_Challenges_with_Advanced_GC_MS_Technology_3_3_539d6ad458.jpg 245w," sizes="100vw" width="1024" height="640"></p><h4 id="h-2-sensitivity"><strong>2. Sensitivity</strong></h4><p>The system demonstrates excellent sensitivity with low instrument detection limits (IDLs) and method detection limits (MDLs) in the low picogram range. These detection limits exceed regulatory requirements, ensuring that even trace levels of PAHs are accurately quantified, providing reliable data for environmental monitoring.</p><h4 id="h-3-robustness"><strong>3. Robustness</strong></h4><p>The GCMS system maintained consistent sensitivity and peak shape over extended runs, with no significant performance degradation after 136 injections or 52 hours of continuous operation. This robustness is crucial for continuous operation of the system, allowing laboratories to run samples over an entire weekend without user intervention. This ensures high throughput and maximizes productivity.</p><h3 id="h-conclusion"><strong>Conclusion</strong></h3><p>The <strong>Thermo Scientific ISQ 7610 GC-MS</strong> system provides a comprehensive solution to the challenges of PAH analysis in environmental samples. Its advanced features, including a wide dynamic range, excellent sensitivity, and robust performance, ensure compliance with EPA Method 8270E and improved laboratory efficiency. By leveraging the benefits of combined calibration curves, laboratories can achieve accurate, reliable, and high-throughput PAH analysis.</p><blockquote><p>For more detailed information on the capabilities of this advanced GC-MS system, please visit the <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/mass-spectrometry/gas-chromatography-mass-spectrometry-gc-ms/gc-ms-systems/single-quadrupole-gc-ms.html">ISQ 7610 GC-MS product page</a>.</p><article aria-label="Tackling PAH Analysis in Environmental Samples: Overcoming the Challenges with Advanced GC-MS Technology"><div><p><strong>Visit our&nbsp;</strong><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/chromatography-&amp;-mass-spectrometry/posts/?feedView=all"><strong>LinkedIn page</strong></a><strong>: </strong>#PAHAnalysis #EnvironmentalMonitoring #GCMS</p></div></article><section><h4><strong>Adam Ladak</strong></h4><div itemprop="description">Adam Ladak is the global product marketing manager for GC quadrupole mass spectrometry at Thermo Fisher, based in the UK. He started his career working in a contracting testing lab analyzing sports supplements and horse feed for prohibited substances. He has over 20 years of experience in the analytical testing industry and has worked for leading instrument manufacturers in various roles from an application specialist to a global marketing role focused on food and environmental testing. Adam is passionate about utilizing our GCMS instrumentation to meet the customer needs and solve real world problems.</div></section></blockquote>

Tackling PAH Analysis in Environmental Samples: Overcoming the Challenges with Advanced GC-MS Technology

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 10th March 2025? 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 poster by <strong>Agilent Technologies </strong>and application notes by<strong> Shimadzu </strong>and <strong>Thermo Fisher Scientific</strong>!</p><h4><strong>1. Agilent Technologies (ASMS 2024): Automated Sample Preparation and Analysis of OCPs in Drinking Water</strong></h4><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_pal3_rtc_ocd_drinking_water_asms_2024_mp387_en_agilent_061eb8d44c.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The Analysis of Organochlorine Pesticides (OCP’s) in drinking water is generally performed by manual liquid-liquid extraction with a concentration step performed before analysis by triple quadrupole GC/MS. Traditionally, volumes as high as 500 and 1000 mL are used and at least 100 to 200 mL of water sample is required with often over 25 mL of extraction solvent needed to extract. Hence, an additional concentration step via evaporation becomes needed.</p><h5><strong>Benefits of Automation</strong></h5><p><strong>Sample preparation automation provides multiple benefits:</strong></p><ul><li>Less room for human error – can be left unattended to run 24/7 if desired. For this method, the user only needs to add salt and sample (15 mL) to the headspace vial – the rest of the process is fully automated.</li><li>Higher reproducibility as the sample prep robot will perform actions consistently for each sample.</li><li>Significantly less sample and solvents are used resulting in a more sustainable approach.</li><li>Lower costs and higher throughput.</li></ul><h5><strong>Sample Extraction Steps</strong></h5><ul><li><strong>ISTD Spiking</strong>: Using a dedicated (for ISTD) liquid tool with a 10 µL syringe, 2 µL of ISTD (from a 2 mL autosampler vial) were pipetted into 20 mL headspace (HS) vials containing sample/standards.&nbsp;</li><li><strong>Solvent Addition:</strong> 2 mL of 90:10 isooctane:ethyl acetate solvent was added to the sample vial (20 mL HS)&nbsp;</li><li><strong>Extraction</strong>: The vial was then transported to the vortex mixer and then vortexed at 2,000 rpm for 60 seconds&nbsp;</li><li><strong>Sample Injection</strong>: Using a dedicated (for sample extracts) liquid tool with a 10 µL syringe, 1 µL of analyte protectants and then 8 µL of sample extract were injected onto the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890%2F7010"><strong>8890/7010</strong></a><strong> Series GC/TQ</strong></li></ul><h5><strong>Conclusions</strong></h5><ul><li>Excellent sensitivity for OCP’s ( &lt; 0.01 ug/L) was achieved with only 15ml of water taken.&nbsp;</li><li>The extraction has been shown to be reproducible and robust requiring limited analyst supervision.&nbsp;</li><li>The automation is embedded within MassHunter requiring no additional software for the control and sequencing of the analysis.&nbsp;</li><li>The incorporation of mid-column backflush has resulted in consistent responses and retention times throughout the sequences and has minimized contamination of the MS source. The additional JetClean option has resulted in no manual source cleaning being required to date.&nbsp;</li><li>The automation has been configured to enable minimal analyst interaction by the incorporation of a diluter/dispenser into a large 2.5 L solvent bottle. This way non-mixed solvents can be used together with a fast wash station that means that no contamination will result from waste solvents.</li></ul><h4><strong>2. Shimadzu: Analysis of THC Metabolites in Urine by GC-MS/MS</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00860_en_38536374fa.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>MRM in GC-MS/MS uses two-stage mass filtering which allows for the detection of THC and its metabolites without interference from impurities in urine.</li><li>Using MRM creates a method sensitive enough to detect THC and its metabolites in urine at 1 ng/mL that can be used to quantify trace levels of cannabis metabolites in urine.</li></ul><p>Cannabis is a long-abused drug with pharmacological effects that include hallucinations, pain relief, and sedation. While the main psychoactive component of cannabis, delta-9- tetrahydrocannabinol (Δ9-THC), issubject to restrictions in many countries worldwide, another active component called cannabidiol (CBD) is not regulated in many countries. Cannabidiol has no major side effects and is starting to be used as a seizure medication, in cosmetics, and in foods. Restrictions on cannabis are undergoing continuous reforms with some countries tightening restrictions and others relaxing them. Japan has recently revised its laws to tighten regulations on cannabis use and a portion of these laws went into effect in December 2024. Δ9-THC in cannabis is metabolized in the body and principally excreted in urine and feces as the metabolites Δ9-OH-THC, Δ9‐THC-COOH, and their glucuronide conjugates. <sup>1)</sup> Based on this, urine must be analyzed for these metabolites to prove cannabis use. This Application News investigated four methods of sample pretreatment that could be used to measure THC and its metabolites in urine and presents results obtained using the sample pretreatment method selected by this investigation in a quantitative analysis by GC-MS/MS (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-TQ+8040+NX"><strong>GCMS-TQ 8040 NX</strong></a> Triple Quadrupole Gas Chromatograph Mass Spectrometer).</p><h5><strong>Conclusions</strong></h5><p>This Application News investigated the simultaneous analysis of cannabis constituents Δ8-THC and Δ9-THC, and their metabolites Δ8-OH-THC, Δ9-OH-THC, Δ8-THC-COOH, and Δ9‐THC-COOH in urine. Four different extraction methods were tested for the sample pretreatment step. A liquid-liquid extraction method provided the best recovery among the four extraction methods tested and the optimized sample pretreatment workflow resulted in an analytical method with adequate sensitivity and quantitative accuracy. GC-MS/MS was used to create a method sensitive enough to readily detect target compounds at 1 ng/mL in urine that is suitable for the quantitative analysis of trace amounts of cannabis metabolitesin urine.</p><h4><strong>3. Thermo Fisher Scientific: Non-targeted analysis of whisky using SPME Arrow and </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Orbitrap Exploris GC 240</strong></a><strong> mass spectrometer&nbsp;</strong></h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003094_gc_hram_orbitrap_exploris_gc_240_whisky_an003094_na_en_46b10f592a.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Whisky is a premium alcoholic beverage based on the tradition built into its production. It consists of a cereal-water mixture or “mash”, which undergoes fermentation followed by distillation and cask maturation, creating a unique flavor profile over a long and complex aging process. Depending on the grain used, cask condition (new vs. old, charred vs. uncharred) and distillery process, significant variability in a whisky's chemical composition can occur. As a result of these distinguishing features, whisky is a sought-after commodity both for consumption and economic purposes, where investments in whisky have far outperformed stocks and other commodities such as gold in recent years.</p><p>In this study, the performance of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Orbitrap+Exploris+GC+240"><strong>Orbitrap Exploris GC 240 high resolution accurate mass (HRAM) </strong></a><strong>mass spectrometer</strong> together with the headspace solid phase micro extraction (HS-SPME) for chemical profiling of whisky is demonstrated. With high mass accuracy (&lt;1ppm) and resolution capabilities (up to 240,000 mass resolution full width half maximum (FWHM) at m/z 200), the Orbitrap Exploris GC 240 mass spectrometer provides unsurpassed selectivity towards compound identification. Differences in chemical profiles are easily visualized using the statistical tools incorporated into the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Compound+Discoverer"><strong>Compound Discoverer</strong></a>™ software and a streamlined identification achieved using the Thermo Scientific Flavor and Fragrances HRAM library together with the NIST nominal mass library. Switching between electron impact (EI) and positive chemical ionization (PCI) for molecular ion identification/ confirmation is achieved quickly without system venting using the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=NeverVent%E2%84%A2"><strong>NeverVent™</strong></a> technology. This provides analysts accurate identification of the chemical profile in whisky for product quality control and differentiates between whiskies suspected of fraudulent activities (e.g., additives and mislabeling).</p><h4><strong>Experimental conditions&nbsp;</strong></h4><h5><strong>Instrument and method setup&nbsp;</strong></h5><p>Headspace extraction and injection of whisky samples was performed using the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TriPlus%E2%84%A2+RSH+SMART"><strong>TriPlus™ RSH SMART autosampler</strong></a> equipped with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=SMART+SPME+Arrow"><strong>SMART SPME Arrow</strong></a> 1.1 mm DVB/C-WR/PDMS fiber (P/N 36SA11T3-SM). Incubation and extraction were performed online followed by sample injection/ desorption. After sample injection, the SPME Arrow fiber was re-conditioned at high temperature under nitrogen using a SPME conditioning station to avoid sample carryover between injections. Further details surrounding the SPME Arrow operating parameters can be found in Table 1. A Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TRACE%E2%84%A2+1610+GC"><strong>TRACE™ 1610 GC</strong></a> equipped with a Thermo Scientific™ TraceGOLD™ TG-624SilMS (30 m × 0.25 mm i.d. × 1.4 µm film) capillary column (P/N 26085-3320) was used to perform the chromatographic separation. Oven program conditions can be found in Table 1. Data acquisition was carried out in full scan analysis using both EI and PCI with the Orbitrap Exploris GC 240 mass spectrometer. Additional MS method parameters are summarized in Tables 2 and 3. External mass calibration was performed prior to analysis, while characteristic ions representing column bleed were used as lock masses when scanning in EI to perform internal mass calibration. Sample acquisition and qualitative processing were performed using Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Chromeleon%E2%84%A2"><strong>Chromeleon™</strong></a> version 7.3.2 Chromatography Data System (CDS) software. Unknown analysis and identification were performed using Compound Discoverer version 3.3 software.</p><h4><strong>Conclusion</strong></h4><p>The complex and versatile chemical profile existing among the various whisky types causes challenges in identifying genuine and fraudulent whiskies. Targeted analytical approaches can be applied but cannot provide a complete picture of the chemical composition, potentially missing fraudulent clues. The combination of HS-SPME Arrow with Orbitrap Exploris GC HRAM capabilities provides rapid analysis of both targeted and untargeted compounds giving the following advantages:&nbsp;</p><ul><li>Time savings with minimal sample preparation and online extraction using the TriPlus RSH SMART robotic autosampler&nbsp;</li><li>Full scan acquisition at high mass resolution (i.e., 120 000 at m/z 200) providing targeted quantitative analysis with nontargeted chemical profile determination&nbsp;</li><li>Dedicated Flavor and Fragrances HRAM library enabling accurate identification at sub ppm mass accuracy&nbsp;</li><li>Mass spectral deconvolution combined with statistical tools for sample differentiation all combined within Compound Discover software</li></ul>

News from LabRulezGCMS Library - Week 11, 2025

News from LabRulezGCMS Library - Week 12, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 24th March 2025? 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 notes by <strong>Agilent Technologies, Shimadzu </strong>and <strong>Thermo Fisher Scientific</strong>!</p><h3><strong>1. Agilent Technologies: Fast Analysis of Human Malodor Compounds, Volatile Organic Acids by SPME and Column Backflushing</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_gc_ms_spme_voas_5994_8149en_agilent_8e03a19a0e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Human body odor is caused by the metabolism of sweat by a host of microorganisms in the human underarm. Human sweat is odorless and certain microbial species metabolize secreted sweat components into volatile, malodorous compounds. These bacterial species exist as a microbiome community. Some members of this community can enzymatically convert nonodorous components of human sweat into malodorous compounds, while others are not responsible for creating noxious smells. The human axillary hosts a wide array of bacterial species, including Corynebacterium jeikeium and Corynebacterium tuberculostearicum along with Staphylococcus aureus, Staphylococcus epidermidis and Staphylococcus hominis.<sup>1</sup> The relative population of each species within the microbiome community influences the number of malodorous compounds liberated from digested human sweat. Typically, a variety of volatile organic acids (VOAs) are produced and are comprised of long-chain fatty acids, fatty acids bound to amino acids, and sulfur-containing amino acids. However, several studies suggest that only a few, key odorants are predominately responsible for the negative human perception of body odor, which include E-3-methyl-2-hexenoic acid (E-3M2H), isovaleric acid, 3-methyl-3-sulfanylhexan-1-ol (3M3SH), and 3-hydroxy-3-methylhexanoic acid (HMHA)<sup>.2</sup></p><p>SPME is a technique invented in the early 1990s, where a fiber coated in an absorbent polymer phase is exposed to a sample, either by direct immersion or in the headspace above the sample (Figures 1 and 2).4 The target analytes are adsorbed from the sample to the phase, depending on affinity to the phase, and once reaching equilibrium, will be removed from the sample and desorbed onto the inlet of the GC. These methods of sample preparation and sample introduction have been especially useful in the analysis of low concentration compounds in volatile compounds and in decreasing the effects of heavy matrices.</p><p>Determining which GC column phase to select can be difficult when analyzing trace level aromatic compounds. Spectral deconvolution can be helpful in removing ions of coeluting compounds and in the identification of all peaks. The Agilent MassHunter Quantitative Analysis software with the Unknowns Analysis program is a tool that can be used to analyze multiple samples, deconvolute spectra, and compare retention times or retention index (RI) commercially available libraries such as NIST or user-created libraries.9 To demonstrate the benefit of combining these techniques, the application of analyzing malodor compounds was optimized to improve overall data quality and productivity.</p><h3><strong>Materials and methods</strong></h3><h4><strong>Method&nbsp;</strong></h4><p>A Gerstel <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=8&amp;search=MPS+Robotic"><strong>MPS Robotic Pro</strong></a> was installed on an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC+5975+MSD"><strong>8890 GC system with an Agilent 5975 MSD</strong></a>. The SPME headspace parameters and MS conditions are listed in Tables 1 through 4. Data were analyzed using Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=MassHunter+Unknowns+Analysis"><strong>MassHunter Unknowns Analysis</strong></a>.</p><h3><strong>Conclusion&nbsp;</strong></h3><p>The use of solid phase microextraction (SPME) is a valuable sampling technique for measuring volatile organic compounds produced by human skin commensals, especially when considering the complex sample matrix of multispecies in vitro bacterial communities. The use of a polar column phase such as an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=J%26W+DB-Wax+ultra+inert"><strong>J&amp;W DB-Wax UI</strong></a> GC column will provide better peak shape for organic acids than a nonpolar column. When switching to a more polar phase, the implementation of midcolumn backflush will help to remove unwanted high-boiling matrix contamination in the VOA sample at lower oven temperatures. This method allows for faster run times, extended column lifetimes, and reduced contamination of the MS source. The Agilent MassHunter Quantitative Analysis software with Unknowns Analysis can be used to easily deconvolute samples by searching against a commercial library or a user-created library to aid in faster sample analysis. Finally, combining SPME with midcolumn backflushing provides a major improvement in method runtimes compared to other methodologies.</p><h3><strong>2. Shimadzu: Extractable Study of Pharmaceutical Packaging and Delivery System Used for Ophthalmic Drug Product</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_06_saip_gc_039_en_cd40a66c6c.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>User Benefits:</strong></p><ul><li>ASSP™ and simultaneous Scan/MRM analysis facilitates accurate qualitative identification and quantitation at trace levels</li><li>UFsweeper™ allows quicker ion transmission in the collision cellsuppressing crosstalk &amp; enables faster MRM analysis</li><li>Thermal Desorption (TD) System offers a direct sampling feature that significantly reduces extraction time and prevents the loss of VOCs</li></ul><p>Extractable and leachable (E &amp; L) studies are becoming increasingly important in the pharmaceutical industry as it is mandatory requirement from FDA during filing of the drug product. The purpose of E &amp; L studies is to identify and evaluate possible toxicological risks. E &amp; L studies in the regulatory references aim to identify traces of potential chemical substances. These substances may be harmful to patients due to their toxicity or may impact the activity of the drug product. Hence, to ensure the safety and efficacy of the drug throughout its shelf-life period, E &amp; L studies play an important role. Impact of Extractables on efficacy and safety of the drug product is presented in Figure 1.</p><h4><strong>What are Extractables and Leachables?&nbsp;</strong></h4><p><strong>Extractables</strong> are organic and inorganic chemical entities that are released from a pharmaceutical packaging / delivery system, packaging component, or packaging material of construction into an extraction solvent under laboratory conditions. [1]&nbsp;</p><p><strong>Leachables</strong> are foreign organic and inorganic chemical entities that are present in a packaged drug product because they have leached into the packaged drug product from a packaging/delivery system, packaging component, or packaging material of construction under normal conditions of storage and use or during accelerated drug product stability studies [1].</p><h3><strong>Experimental design</strong></h3><p>There are many ways by which extractable study can be designed like generating extract by maceration (solvent soaking), by reflux/Soxhlet/sealed vessel/sonication or solvent extraction (manually and automated) etc. [1] However, one can perform this study by direct heating the CCP using the technique such as TD System.&nbsp;</p><p>Physical as well as chemical properties of the sample should be considered while designing the extraction experiment. Polarity, pH and chemical components of the drug product plays an important role in the extraction process. Extractable study is performed at accelerated temperature conditions considering worst case scenario for storage of the drug product.&nbsp;</p><p>Here, we conducted extractable study at variable pH and by refluxing the CCP with solvents of different polarities. Also, TD System was utilized for the assessment of extractable study. Empty CCP designed for the storage of Ophthalmic drug product were purchased from the local resource. Using these CCP’s, multiple experiments were performed and acquired data were evaluated to identify the potential extractables. Below are the detailed explanation for Experiment A, B, C, D, E etc. Experiment A is performed by incubating CCP in aqueous solutions having different pH values and experiment B, C, D &amp; E were performed by refluxing the CCP with organic solvents of different polarities.</p><h3><strong>Mathods of analysis</strong></h3><h4><strong>Method-I:&nbsp;</strong></h4><p>In this method, seventeen standards were analyzed by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-TQ8040+NX"><strong>GCMS-TQ8040 NX</strong></a> with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=AOC-20i+autosampler"><strong>AOC-20i autosampler</strong></a>. For the method suitability, few important parameters like system suitability, linearity and LOQ precision were performed. Instrument Parameters are as mentioned below.</p><h4><strong>Conclusion</strong></h4><ul><li>The chromatographic profile of solvent reflux experiment shows higher number of extractables than aqueous incubation. Furthermore, in aqueous incubation, the content of extractables is well below the AET level. Since, placebo of the ophthalmic drug product is completely aqueous, CCP may be used for the storage.&nbsp;</li><li>Chromatographic profile from different experiments conclude that, the compounds detected in solvent extraction are different than the compounds obtained in TD analysis. Thus, additional information obtained from TD profile will further facilitate material characterization.&nbsp;</li><li>Shimadzu’s GCMS-TQ8040 NX triple quadrupole mass spectrometer provides high scan speed of 20000 amu/sec with ASSP technology which enables simultaneous SCAN/MRM analysis which is critical in E&amp;L study. The UFsweeper technology enables 800 MRMs/sec which minimizes cross-talk, enhances selectivity &amp; sensitivity.</li></ul><h3><strong>3. Thermo Fisher Scientific: Quantitation of volatile PFAS in environmental samples using SPME Arrow and Orbitrap Exploris GC</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003507_gc_orbitrap_exploris_gc_hram_pfas_an003507_na_en_a23c863bda.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>Application benefits</strong></p><ul><li>A simple and robust sample preparation for volatile PFAS based on SPME Arrow for reducing manual handling and potential contamination issues.</li><li>Sensitive and quantitative analysis of volatile PFAS in complex environmental samples using high resolution accurate mass (HRAM) that meets challenging reporting limits.</li><li>Flexible data processing using full scan HRAM to include additional points of confirmation and quickly increase scope of analysis without reanalysis.</li></ul><p>Per- and polyfluoroalkyl substances (PFAS) contain one or more alkyl radicals with all the hydrogens replaced by fluorine atoms. Traditionally, two groups of PFAS have been of the most concern and subject to control and monitoring. The first group includes ionic (or acidic) PFAS—the perfluorocarboxylic acids (perfluorooctanoic acid (PFOA)) and perfluoroalkylsulfonates (perfluorooctanesulfonic acid (PFOS))—where LC-MS-MS is the most common analytical technique. The second group includes neutral (or volatile) PFAS—the fluorotelomer alcohols1 (FTOHs) and N-substituted fluoroalkylsulfonamides (FOSAs). For this group, due to the volatility, GC-MS is the analytical method of choice and is the focus of this study.</p><p>The accurate analysis of PFAS by testing laboratories requires robust and streamlined analytical workflows. These methods must overcome the challenges of an ever-growing list of PFAS compounds, diversity of sample matrices, and demanding analytical performance requirements. Typically, a gas chromatography instrument coupled to low-resolution, nominal mass triple quadruple mass spectrometer (GC-MS/MS) has been the system of choice for the sensitive and selective detection of a wide range of target PFAS compounds. However, the development of high-resolution accurate mass (HRAM) Orbitrap mass spectrometry coupled to GC has proved to be a valuable alternative to triple quadrupole GC-MS. With HRAM mass spectrometry, the default acquisition mode is untargeted (fullscan) meaning that all the ions are acquired with high selectivity at the same time across a specified mass range, making the method setup and data acquisition simple to manage and giving the analyst the flexibility to decide on which compounds to focus. This can extend into retrospective analysis of data to evaluate for the presence/absence of other contaminants not necessarily of interest at the time of acquisition. For example, this could allow the search for other PFAS compounds beyond the target list.&nbsp;</p><p>In this study, the performance of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Orbitrap Exploris GC </strong></a>high-resolution accurate mass (HRAM) spectrometer together with the headspace solid phase micro extraction (SPME) Arrow for the quantitative analysis of volatile PFAS including FTOH, fluorotelomer acrylates (FTACs), fluorotelomer methacrylates (FTMACs), fluorotelomer iodides (FTIs), Me/Et-FOSAs, and Me/Et-FOSEs is demonstrated.</p><h3><strong>Experimental</strong></h3><p>Instrument and method setup Headspace extraction and injection of samples were performed using the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?search=TriPlus+RSH+SMART+autosampler"><strong>TriPlus™ RSH SMART autosampler</strong></a> equipped with the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=SMART+SPME+Arrow"><strong>SMART SPME Arrow</strong></a> 1.1 mm PDMS 100 µm fiber (P/N 36SA10P1-SM). Incubation and extraction were performed online followed by sample injection/ desorption. After sample injection, the SPME Arrow fiber was re-conditioned at high temperature under a nitrogen flow using an SPME conditioning station to avoid sample carryover between injections. Further details surrounding the SPME Arrow operating parameters can be found in Table 1.</p><p>A Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TRACE+1610+GC"><strong>TRACE™ 1610 GC</strong></a> equipped with a Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TraceGOLD+TG-5SilMS"><strong>TraceGOLD™ TG-5SilMS</strong></a> (30 m × 0.25 mm I.D. × 0.25 µm film) capillary column (P/N 26096-1420) was used to perform the chromatographic separation. Oven program conditions can be found in Table 1. Data acquisition was carried out in full scan analysis using an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Orbitrap Exploris GC mass spectrometer.</strong></a> Additional MS method parameters are summarized in Table 2. External mass calibration was performed prior to analysis, while characteristic ions representing column bleed were used as lock masses when scanning in EI to perform internal mass calibration. Sample acquisition and qualitative processing was performed using the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Chromeleon"><strong>Chromeleon</strong></a>™ version 7.3.2 Chromatography Data System (CDS) software. Additional screening data processing was done using Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Compound+Discoverer"><strong>Compound Discoverer</strong></a>™ software with the Thermo Scientific™ Orbitrap GC-MS HRAM Contaminants Library.</p><h3><strong>Conclusion&nbsp;</strong></h3><p>Volatile perfluoroalkyl substances (PFAS) have become a significant focus in environmental analysis due to their potential health and environmental risks. The inherent complexity of environmental samples and the need for minimal sample handing of volatile PFAS is critical in accurate quantitation and detection. The method presented utilizes a combination of HS-SPME Arrow with an Orbitrap Exploris GC to provide an efficient workflow for the analysis of PFAS compounds giving analytical advantages including:&nbsp;</p><ul><li>Minimal sample preparation and online extraction using the TriPlus RSH SMART robotic autosampler increase the sample throughput and minimize the risk of contamination. Using SPME Arrow extraction technique, good recovery of all target volatile PFAS compounds was demonstrated.&nbsp;</li><li>Full scan acquisition at high mass resolution provides targeted quantitative analysis together with non-target analysis to quickly increase the scope of analysis and screen for other compounds outside the target list.&nbsp;</li><li>Full scan acquisition facilitates versatile data processing and allows for the incorporation of additional confirmation points, including supplementary confirmation ions, spectral matching, and isotope pattern.&nbsp;</li><li>Limits of detection ranging from 0.1 to 1.4 ng/L are well below the target 5 ng/L level of PFAS compounds in complex environmental matrices.&nbsp;</li><li>Application of the method to real samples showed PFAS compounds present in all samples with some very high concentrations in crude sewage and landfill leachate.</li></ul>

News from LabRulezGCMS Library - Week 13, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 31th March 2025? 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 notes by <strong>Agilent Technologies </strong>and<strong> Shimadzu </strong>and<strong> poster </strong>by<strong> GC Image / MDCW!</strong></p><h3><strong>1. Agilent Technologies: Navigating Global Microplastics Regulations in Drinking Water with Vibrational Spectroscopy</strong></h3><p><strong>Ensuring accurate and reliable microplastics characterization with the 8700 LDIR</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/wp_microplastics_drinking_water_regulations_8700_ldir_5994_8166en_agilent_ea9c07e61c.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Access to clean and safe drinking water is a fundamental human right and a critical public health priority. With growing concerns about environmental pollution, emerging contaminants such as microplastics have become a major focus for regulatory bodies worldwide. Microplastic particles, originating from sources such as industrial waste, packaging, and everyday consumer products, have been detected in diverse water sources, raising concerns about both their potential health risks and environmental impact.</p><p>The accurate and reliable characterization of microplastics presents significant analytical challenges due to the diversity in size, shape, and composition of these materials. Particles range from less than 20 µm to visible fragments and can exist in various forms including spheres, fibers, and irregular shapes. Microplastics are typically composed of various types of polymer, each with distinct physical and chemical properties and unique degradation histories. Because of this complexity, analyzing microplastics requires advanced analytical techniques.&nbsp;</p><p>To address these challenges, regulatory bodies and standardization organizations have actively been developing guidelines and testing methods to monitor and control microplastics contamination in drinking water. The analytical techniques used to characterize microplastics are critical in achieving accurate and reliable outcomes when studying the impact of this emerging class of contaminant. The primary techniques used to analyze microplastics fall into two categories:&nbsp;</p><ul><li><strong>Thermo-analytical methods</strong> such as thermal extraction desorption gas chromatography-mass spectrometry (TED-GC/MS) and pyrolysis-GC/MS, which provide information about polymer type and mass1&nbsp;</li><li><strong>Vibrational spectroscopy methods</strong> including Fourier transform infrared (FTIR) spectroscopy and Raman spectroscopy, which provide information about polymer type, number of particles, and size</li></ul><p>There has been an ongoing effort for several years to standardize methods for microplastic analysis using vibrational spectroscopy. These standard methods provide structured approaches that help to ensure consistent, accurate, and reproducible microplastics analysis across different laboratories and regulatory environments.&nbsp;</p><p>Three such regulatory frameworks have been established by the following bodies:&nbsp;</p><ul><li><strong>Commission Delegated Decision (EU) 2024/1441</strong>: Supplementing Directive (EU) 2020/2184 of the European Parliament and of the Council by laying down a methodology to measure microplastics in water intended for human consumption.2</li><li><strong>California Water Boards</strong>: Policy handbook establishing a standard method of testing and reporting of microplastics in drinking water, August 9, 2022.3 The policy handbook was developed in response to State of California legislation (SB1422) requiring monitoring for microplastics. As noted in the introductory text, the method is designed to "[set] forth the requirements for conducting monitoring and reporting of microplastics in drinking water." Attachment C to that document (SWB-MP1-rev1) is a Standard Operating Procedure that describes the method as relevant to IR techniques.4&nbsp;</li><li><strong>ISO/DIS 16094-2: </strong>Water Quality — Analysis of Microplastic in Water, Part 2: Vibrational spectroscopy methods for waters with low content of suspended solids including drinking water (under development).5&nbsp;</li></ul><p>ASTM WK87463 (New Test Method for Spectroscopic Identification and Quantification of Microplastic Particles in Water Using Infrared (IR) Spectroscopy) is also under development. As this method has not yet been published, it is not covered by this white paper.6</p><h4><strong>Requirements of regulatory methods</strong></h4><h5><strong>Minimum and maximum particle size&nbsp;</strong></h5><p>It is necessary to check the accuracy of any particle-sizing data generated by the analytical method used for the analysis of microplastics. The three regulatory frameworks summarized in Table 1 specify a minimum detectable particle size of 10 to 20 µm using IR spectroscopy.&nbsp;</p><p>To demonstrate the performance of the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;search=8700+LDIR&amp;sources=GCMS_EN-ICPMS_EN"><strong>8700 LDIR</strong></a>, 10, 20, and 50 µm NIST-traceable polystyrene latex beads were measured on a low-e slide. As shown in Figure 5, particles were detected using the automated Particle Analysis workflow within the Clarity software. The method also correctly identified the type of particles, with a hit quality index (HQI) of &gt; 0.95, demonstrating the characterization capabilities of LDIR for particles as small as 10 µm. Additional details on particle sizing using gold- and aluminum-coated filters are available in other publications.8,9</p><p>As stated in Table 1, the maximum required measurement size across the three regulatory frameworks is 5 mm for particles and 15 mm for fibers per EU 2024/1441. While LDIR analyzes particles up to 500 µm, larger particles can be detected visually and measured using an Agilent <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;sources=GCMS_EN-ICPMS_EN&amp;search=Cary+630+FTIR"><strong>Cary 630 FTIR</strong></a> spectrometer fitted with a diamond attenuated total reflectance (ATR) module (Figure 6). A fast and simple method for identifying plastic debris in this size range is reported elsewhere.10</p><h4><strong>Conclusion&nbsp;</strong></h4><p>Microplastics are widespread in the environment, exhibiting significant variation in size, shape, color, and composition, which complicates their analysis. To address these challenges, current regulatory frameworks and emerging analytical methods offer flexibility in sampling equipment, instrumentation, and data analysis techniques, provided they meet the required analytical standards. The aim of the standardized methods is to improve the accuracy and comparability of microplastic assessments. In addition to thermo-analytical methods and vibrational spectroscopy techniques such as μ-FTIR and μ-Raman, quantum cascade laser-based IR technology has proven to be a suitable technique for microplastic analysis. This white paper demonstrates how an Agilent 8700 LDIR chemical imaging system combined with Agilent Clarity software meets the requirements of the three global regulatory frameworks, enabling accurate microplastics characterization. The laser-based system offers a fully automated workflow for the direct filter-based analysis of microplastics, resulting in significant time savings and higher sample throughput compared to conventional vibrational spectroscopy techniques.</p><h3><strong>2. Shimadzu: Analysis of Neutral PFAS in Ambient Air Using Thermal Desorption GC-MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00865_en_8dcbc95687.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>User Benefits:</strong></p><ul><li>A thermal desorptionGC-MS system can accurately measure quantities of volatile and semivolatile per- and polyfluoroalkyl<br>substances (PFAS) in ambient air.</li><li>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=TD-30R+thermal+desorption+system"><strong>TD-30R thermal desorption system</strong></a> can perform high-throughput analysis as it does not require solvent extraction</li></ul><p>Because of the excellent heat-resistance and water-repelling properties of per- and polyfluoroalkyl substances (PFAS), they are used in many consumable products and industrial applications. However, their resistance to degradation and concerns over their persistence in the environment and toxicity to organisms mean they are increasingly regulated throughout the world. As one of the pollution routes of PFAS, the atmospheric dispersion of PFAS exhaust gas emitted from factories using PFAS is a concern. Therefore, monitoring studies have been conducted considering the risk of long-term exposure of PFAS to the respiratory system and the spread of PFAS pollution from atmosphericdispersion of PFAS.&nbsp;</p><p>Because of the tightening of PFAS regulations, analytical methods are being developed for a variety of matrices, including water, soil, and food. While most of these methods target non-volatile (ionic) PFAS and use a liquid chromatograph-mass spectrometer (LC-MS/MS), volatile or semivolatile neutral PFAS are not easily measured by these methods, so a gas chromatograph-mass spectrometer (GC-MS) is suitable forthose compounds.&nbsp;</p><p>In this Application News, the TD-30R thermal desorption system coupled to a GC-MS system (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-QP2020+NX"><strong>GCMS-QP2020 NX</strong></a>) measured the quantities of nine volatile and semivolatile neutral PFAS (Table 1) in ambient air.</p><h4><strong>Spike-and-Recovery Test with Ambient Air&nbsp;</strong></h4><p>Standard solutions were prepared containing 10 ng of four FTOHs and 1 ng of three FTACs and two FOSAs and these standard solutions were added to the Tenax TA/Carboxen 1000 sample tubes. 20 L of ambient air was also collected at 100 mL/min. Spike-and-recovery test and repeatability results are shown in Table 5 and SIM chromatograms are shown in Fig. 3. The recovery rates were between 77 and 106 % and all concentration %RSD (n = 3) were below 8, showing generally good performance.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The TD-30R and GCMS-QP2020 NX were used to measure quantities of nine neutral PFAS in ambient air. The measurements of standards demonstrated favorable results for sensitivity, calibration curve linearity, and repeatability for all the targeted compounds. A spike-and-recovery test with ambient air also demonstrated favorable results for recovery and repeatability. Using the TD-30R during sample pretreatment allows the sampling tube to be analyzed directly without a solvent extraction, enabling high-throughput analysis.</p><h3><strong>3. GC Image / MDCW: Interactive Ion Peak Analysis and Differencing for Comparing Multidimensional Chromatography Data</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/GC_Image_MDCW_2025_Poster_0ffa92f068.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Comprehensive two-dimensional chromatography offers superior separation capabilities for complex mixtures, but the resulting data complexity necessitates advanced comparative analysis methods. A common scenario involves comparing two samples to identify similarities and differences. We demonstrate our methods through two applications including performing new peak detection (NPD) [1] for LC-MS data of peptide samples, and identifying and comparing common and unique compounds from pairs of GCxGC-MS chromatograms.</p><h4><strong>Approach 2: Ion Peak Matching&nbsp;</strong></h4><ul><li>Find bidirectional matching between detections in both chromatograms&nbsp;</li><li>Matching criteria: matched apex within RT tolerance, matching detection ion m/z or spectral match of &gt;750&nbsp;</li></ul><h5><strong>Data Set&nbsp;</strong></h5><ul><li>GCxGC-TOFMS public data set of different dark chocolates [5]. Mint-Lime and Orange flavors are used for this demonstration. The figures presented all have MintLime on the left and Orange on the right.&nbsp;</li><li>JEOL <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=24&amp;search=AccuTof+GC"><strong>AccuTof GC</strong></a>+ mass spectrometer with an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7890+GC"><strong>7890 GC</strong></a></li></ul><h5><strong>Unique Peaks Filter</strong></h5><p>Significant unique ion peaks are shown using filters:</p><ul><li>‘Unmatched’ status</li><li>SNR &gt; 150</li></ul><h5><strong>Common Peaks Filter&nbsp;</strong></h5><p>Common ion peaks are shown are shown with the ‘In Both’ filter. The figure to the left shows common peaks that have a significant response difference. Filtering was done using &gt; +200% change and &lt; -50% change.&nbsp;</p><h5><strong>Peak Comparison</strong>&nbsp;</h5><p>Common compounds are matched and allow comparison between the images. The compound response values, properties, and spectra can be viewed for both samples. Unique compounds are viewed and identified, with the SIC view used to analyze the alternate chromatogram at the RT location and ion ranges.<br>&nbsp;</p>

News from LabRulezGCMS Library - Week 14, 2025

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10th EuChemS Chemistry Congress (ECC10)

LECO Training Course Pegasus BT/BT4D BTX/BTX4D

Agilent Innovation Tour 2026

Microplastics Analysis You Can Defend: From Method to Results

Helium, PFAS & Recycled Plastics: Addressing Key Challenges in Industrial Laboratories

Understand the aromas consumers really experience