<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 8th June 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies </strong>and<strong> Shimadzu</strong>, poster by <strong>MDCW / William &amp; Mary </strong>and brochure by<strong> Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: Analysis of Bisphenol A in PET Granules Using the </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890</strong></a><strong>/</strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977C"><strong>5977C</strong></a><strong> GC/MS System</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_bisphenol_a_pet_granules_gc_ms_system_5994_9240en_agilent_b9b78ea413.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>Polyethylene terephthalate (PET) is commonly used in the food and beverage industry, as it is easy to recycle. Contaminants in recycled PET, including acetaldehyde, benzene, limonene, and bisphenol A (BPA), can migrate from the packaging into the contents, potentially affecting the safety and quality of the products stored inside.<sup>1</sup> Monitoring these contaminants is crucial for ensuring the quality of recycled PET products, as they can affect the physical, chemical, and sensory properties of recycled PET, potentially leading to product defects or health concerns.<sup>1</sup> FSSAI officially permits the use of recycled PET (rPET) in food packaging, subject to strict safety and quality standards. This regulatory change was formalized through amendments notified in March 2025, effective immediately.<sup>2</sup> All recycled plastics used in food contact applications must comply with stringent overall and specific migration limits to ensure no harmful chemical transfer into food. The recycling processes require validated decontamination steps to reduce contaminants to safe levels. Manufacturers must certify their packaging materials under FSSAI guidelines.&nbsp;</p><p>GC/MS plays a critical role in assessing the safety and suitability of recycled plastics for food‑contact applications. The method adopted in this work demonstrates the use of an Agilent 8890 GC system coupled with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977C"><strong>Agilent 5977C GC/MS system</strong></a> for quantification of BPA in PET granules.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>This application note presents key strategies for the analysis of BPA in PET granules using GC/MS. The calibration used here ranged from 10 to 500 ng/mL, and the LOQ of the method was demonstrated at 500 ng/g for a PET sample. Repeatable results were found for six successive replicates of matrix-based standards at 100 ng/mL. Satisfactory recoveries were obtained for the tested matrix at 500 ng/g spiked concentration levels. Thus, this study demonstrates the applicability of this method for routine analysis of PET samples for identification and quantification of BPA.</p><h3><strong>2. MDCW / William &amp; Mary: Characterizing PqsE’s enzymatic activity in Pseudomonas aeruginosa by Volatile Organic Compound analysis with GC×GC-TOFMS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Zimmermann_Nicolas_a9c80563a3.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>Pseudomonas aeruginosa is an opportunistic pathogen commonly associated with severe respiratory infections in immunocompromised patients. The pathogenic behaviors of P. aeruginosa are controlled by a cell-to-cell communication system called quorum sensing (QS). Many genes activated by QS include those responsible for forming biofilms and producing virulence factors. Interestingly, several virulence factors produced by P. aeruginosa are regulated by an interaction between a receptor, RhlR and a hydrolase, PqsE. Thus, the PqsE-RhlR interaction has become a target for antibiotic development and further characterization. Comprehensive two-dimensional gas chromatography paired with time-of-flight mass spectrometry (GC×GC-TOFMS) was chosen for metabolomic analysis as it is known for its high sensitivity and improved peak capacity. With GC×GC-TOFMS, the volatile organic compound (VOC), acetophenone, was discovered and utilized to measure dose-dependent inhibition of PqsE’s enzymatic activity in vivo by the small molecule inhibitor, Vorinostat. Furthermore, additional VOCs were identified that could add additional insight to PqsE’s function.</p><h4><strong>Experimental:</strong></h4><ul><li><strong>GC/MS:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1097"><strong>Pegasus BTX (LECO)</strong></a> with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/82"><strong>LECO L-PAL3 Autosampler</strong></a></li><li><strong>Software:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/348"><strong>ChromaTOF Tile</strong></a></li></ul><h4><strong>Summary</strong></h4><p>Eight VOCs identified that show statistically significant concentration differences between WT and D73A samples. The VOC acetophenone can be used to measure the enzymatic inhibition of PqsE in vivo. Vorinostat displayed a dose-dependent decrease in acetophenone levels.</p><h3><strong>3. Shimadzu: Extractable Study of Container Closure Pack Used to Store Oral Drug Product Using Dynamic Headspace Technique</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_sip_gc_044_en_ef833b01f0.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>ASSP and simultaneous Scan/MRM analysis facilitating accurate qualitative identification and quantitation at the same time.</li><li>Dynamic headspace enables concentrating the analytes in cold trap with multi-injection count and helps to achieve higher sensitivity overstatic headspace, especially for trace level quantitation.</li></ul><p>Extractable and leachable (E &amp; L) studies are becoming increasingly important in the pharmaceutical industry as it is a 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. In this study, 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 itsshelf-life, E &amp; L studies play an important role.&nbsp;</p><h5><strong>What Are Extractables and Leachables?&nbsp;</strong></h5><p>Extractables 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>Leachables 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><h4><strong>Methods of Analysis</strong></h4><p>In this method, fifteen standards were analyzed by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMSTQ8050+NX"><strong>GCMSTQ8050 NX</strong></a> with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=HS-20+NX"><strong>HS-20 NX</strong></a> (Trap) autosampler. For the method suitability, several important parameters like system suitability, linearity and precision were performed.&nbsp;</p><h4><strong>Conclusion</strong>&nbsp;</h4><p>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 used in the analysis is totally safe and can be used for the storage of Penicillin V.&nbsp;</p><p>Shimadzu’s GCMS-TQ provides high scan speed of 20000 amu/sec with ASSP technology enabling simultaneous SCAN/MRM analysis which is crucial in E&amp;L study.&nbsp;</p><p>Generally, if the drug product falls under parenteral and oral drug product (PODP), evaluation threshold will be at higher side due to having wider SCT. However, AET for Penicillin V was at too low to evaluate with liquid injection and static headspace technique. This has been proved with the trap headspace technology.&nbsp;</p><p>To analyze the complete extractable profile with the sample screening is only possible with dynamic headspace as most of the extractables were not detected in the injection acquired with static headspace.</p><h3><strong>4. Thermo Fisher Scientific: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2419"><strong>Thermo Scientific™ Orbitrap Exploris™ GC S Mass Spectrometer</strong></a></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/br_004035_gc_orbitrap_exploris_gc_s_enviro_br004035_na_en_b1fad7f3af.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2419"><strong>Thermo Scientific Orbitrap Exploris GC S</strong></a> is a high-resolution GC-MS system designed specifically for environmental and food safety laboratories performing analysis of persistent organic pollutants (POPs). Combining Orbitrap high-resolution accurate-mass (HRAM) technology with the proven Advanced Electron Ionization (AEI) source, the platform delivers exceptional sensitivity, selectivity, and robustness for demanding applications such as dioxins, dioxin-like PCBs, PFAS, pesticides, and emerging contaminants. The system is engineered to meet regulatory requirements while supporting multiple analytical workflows on a single instrument.</p><p>For dioxin and POPs analysis, the Orbitrap Exploris GC S offers performance traditionally associated with high-resolution magnetic sector instruments while providing a more streamlined and user-friendly workflow. The instrument achieves ultra-trace sensitivity, excellent repeatability, and regulatory-compliant mass resolution, supported by dedicated solutions including the TRACE Dioxin column, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/422"><strong>TriPlus RSH SMART</strong></a> autosampler, and Chromeleon Dioxin HRAM eWorkflow software. Automated method templates, built-in quality control checks, and compliance-ready reporting simplify implementation and routine operation, enabling laboratories to increase throughput while maintaining confidence in analytical results.</p><p>The platform also excels in pesticide screening and quantitation across complex food and environmental matrices. High-resolution full-scan acquisition, wide dynamic range, accurate-mass measurements, isotope pattern confirmation, and extensive spectral library matching allow confident identification and quantitation of hundreds of compounds in a single analysis. The ability to perform retrospective data analysis enables laboratories to answer new regulatory or research questions without reinjecting samples, providing flexibility for evolving analytical requirements.</p><p>Supporting the mass spectrometer is a complete analytical ecosystem that includes Chromeleon Chromatography Data System for compliant quantitation workflows, Compound Discoverer software for advanced unknown identification and statistical analysis, the modular <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/483"><strong>TRACE 1600 Series GC</strong></a>, and the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/422"><strong>TriPlus RSH SMART robotic autosampler</strong></a>. Together, these components provide a highly automated, future-ready platform that maximizes uptime, simplifies maintenance through NeverVent and modular GC technologies, and delivers reliable HRAM data for both routine monitoring and advanced environmental research.</p></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 24, 2026

<p><strong>In the week of June 15, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. GERSTEL: Application Overview - V-ITEX in Practice Across Multiple Fields</strong></h5><ul><li>Tu, 16.6.2026 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6242">Registration</a></li></ul><p>Discover how V-ITEX is applied in food analysis, biotechnology, agricultural science, and metabolomics to enable sensitive, efficient, and practical analytical workflows.</p><h5><strong>2. Thermo Fisher Scientific: Modernizing Dioxin Analysis for Food Control: Introducing a New GC Orbitrap</strong></h5><ul><li>Tu, 16.6.2026 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6256">Registration</a></li></ul><p>Join this webinar to learn about the Orbitrap Exploris™ GC S mass spectrometer and its application in dioxin analysis for food control laboratories.</p><h5><strong>3. Agilent Technologies: Innovations and Emerging Tools in Peptide Science</strong></h5><ul><li>Tu, 16.6.2026 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6252">Registration</a></li></ul><p>Master peptide characterization and manufacturing. Discover Agilent solutions for GLP-1 API scale-up, xCELLigence cell-based bioassays, non-destructive Raman RMID, and inert LC/MS impurity profiling workflows.</p><h5><strong>4. LECO: Characterization of High-Performance Polymers Using Thermal Desorption/Pyrolysis and High-Resolution Mass Spectrometry</strong></h5><ul><li>Tu, 16.6.2026 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6039">Registration</a></li></ul><p>Discover how thermal desorption and pyrolysis combined with high-resolution GC-TOFMS enable detailed characterization of high-performance plastics such as PEEK and PTFE for advanced industrial applications.</p><h5><strong>5. Agilent Technologies: Becoming A Better Chromatographer: Understanding the Impact of Advanced GC Column Features for Improving Productivity and Data Quality in GC/MS Workflows</strong></h5><ul><li>Tu, 16.6.2026 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6253">Registration</a></li></ul><p>Enhance GC/MS productivity and data quality. Discover Agilent 5Q premium columns featuring Ultra Inert performance, enhanced thermal stability, ultra-fast conditioning, and extended column lifetime.</p><h5><strong>6. AZoM: Optimizing Future Fuel Processes with Process Raman Spectroscopy: Applications in Hydrogen, Sustainable Aviation Fuels &amp; Carbon Capture</strong></h5><ul><li>We, 17.6.2026 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6209">Registration</a></li></ul><p>Explore how process Raman spectroscopy supports real-time monitoring and optimization of sustainable aviation fuel, hydrogen, and carbon capture processes in future energy applications.</p>

Webinars LabRulezGCMS Week 25/2026

Developing Quick Screening Method to Identify Rice Cultivars with Unique Aromatic Features

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 15th June 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you brochure by <strong>Agilent Technologies, </strong>application note<strong> </strong>by<strong> Shimadzu</strong>, presentation by <strong>MDCW / Institut d’Investigació Sanitària Pere Virgili </strong>and poster by<strong> Waters Corporation!</strong></p><h3><strong>1. Agilent Technologies: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8860B"><strong>Agilent 8860B Gas Chromatograph</strong></a></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ds_8860_gas_chromatograph_5994_9066en_agilent_f4d445178f.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8860B"><strong>Agilent 8860B gas chromatograph</strong></a> delivers reliable, repeatable performance for routine analyses, combining proven GC expertise with simplified operation. A bright color touchscreen provides quick access to system setpoints, configuration details, flowpath information, and live signal plots to easily monitor run progress. For deeper control, the built‑in Agilent GC Assist interface—optimized for tablets, PCs, and mobile devices—offers advanced system intelligence, including remote status checks, self‑guided diagnostics, maintenance tools, and method and sequence&nbsp;editing. The 8860B supports full electronic pneumatics control (EPC) or electronic pneumatics regulation (EPR), enabling precise, automated or electronically adjusted gas management. Both EPC and EPR use robust 7th‑generation microchannel architecture, designed for superior protection against contaminants and improved long-term reliability.</p><h4><strong>GC system capabilities&nbsp;</strong></h4><ul><li><strong>Retention time repeatability: </strong>&lt; 0.03% or 0.003 minutes&nbsp;</li><li><strong>Area repeatability:&nbsp;</strong><ul><li>&lt; 1.0% RSD&nbsp;</li><li>The 8860B display comes with physical start/stop buttons for manual analysis&nbsp;</li><li>Easy access to maintenance and service modes from the GC&nbsp;Assist interface, including autonomous leak checks&nbsp;</li><li>The GC Assist interface provides remote connectivity enabling you to monitor your smart GC system, check system logs, and perform diagnostics tests, from inside or outside the laboratory&nbsp;</li><li>Atmospheric pressure and temperature compensation are built into every system, so results do not change, even when the laboratory environment does.</li></ul></li><li><strong>Simultaneously supports&nbsp;</strong><ul><li>Two inlets&nbsp;</li><li>Three detectors &nbsp;</li><li>Support for up to any combination of three valves total:&nbsp;<ul><li>Up to four heated gas sample valves&nbsp;</li><li>Up to two liquid sampling valves&nbsp;</li></ul></li><li>Dual sample introduction capabilities:&nbsp;<ul><li>Supports two <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7693A"><strong>7693A</strong></a> autoinjectors with capacity for 16&nbsp;sample vials&nbsp;</li><li>Supports one 7693A autoinjector and automatic sampler tray with capacity for 150 sample vials&nbsp;</li><li>Supports one 7650A autoinjector with capacity for 50 sample vials with one 7693A with capacity for 16&nbsp;sample vials&nbsp;</li><li>Supports one <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=PAL3"><strong>PAL3</strong></a> autosampler&nbsp;</li></ul></li></ul></li><li><strong>Instrument dimensions&nbsp;</strong><ul><li><strong>Height:</strong> 49 cm (19.2 in)&nbsp;</li><li><strong>Width:</strong> 58 cm (22.9 in), 68 cm with side-mounted detector&nbsp;</li><li><strong>Depth</strong>: 54 cm (21.3 in)&nbsp;</li><li><strong>Typical weight</strong>: 51 kg (112 lb)</li></ul></li></ul><h3><strong>2. MDCW / Institut d’Investigació Sanitària Pere Virgili: GcDUO: A Batch Processing Framework Integrating PARAFAC and PARAFAC2 for GC×GC-MS Data Analysis</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_10_Llambrich_54914668f8.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The presentation introduces <strong>GcDUO</strong>, an open-source batch-processing framework developed for the analysis of comprehensive two-dimensional gas chromatography–mass spectrometry (GC×GC-MS) data. The tool was designed to address one of the main challenges in GC×GC-MS workflows: extracting meaningful chemical information from highly complex multidimensional datasets while reducing dependence on proprietary software. GcDUO combines the strengths of <strong>PARAFAC</strong> and <strong>PARAFAC2</strong> chemometric algorithms to perform automated peak detection, deconvolution, compound annotation, and quantification across large batches of samples.</p><p>The workflow begins with raw GC×GC-MS data imported from CDF files and converted into a four-dimensional matrix. Regions of interest (ROIs) are automatically selected using a watershed algorithm, allowing relevant chromatographic features to be isolated from the background. PARAFAC decomposition is then applied to separate overlapping compounds into their individual first-dimension retention times, second-dimension retention times, and mass spectra. Compound identification is performed using spectral similarity calculations, retention index information, and comparison against reference libraries, creating a consensus-based annotation strategy that improves confidence in identifications.</p><p>To further improve quantitative performance, GcDUO incorporates a constrained PARAFAC2 approach that can model chromatographic peak shifts between samples while preserving accurate peak integration. The framework was evaluated using benchmark GC×GC datasets containing fragrances, allergens, food-related compounds, and breath-analysis samples. Validation studies showed strong detection and annotation performance, including successful identification of most compounds in independent datasets such as FruityBeer and BreathMix. Quantitative comparisons with the widely used <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41"><strong>ChromaTOF software</strong></a> demonstrated highly comparable retention times and peak areas for a range of volatile compounds, indicating that GcDUO can deliver results similar to established commercial platforms.</p><p>The authors conclude that GcDUO provides a powerful open-source alternative for GC×GC-MS data processing. The framework supports automated deconvolution, annotation, and quantification without requiring strict trilinearity assumptions often associated with traditional chemometric approaches. Although computational cost and user expertise remain important considerations, GcDUO offers performance comparable to gold-standard commercial software while expanding access to advanced GC×GC-MS data analysis for metabolomics, environmental, food, fragrance, and other analytical applications. The software is freely available through GitHub, supporting broader adoption and further development by the scientific community.</p><h3><strong>3. Shimadzu: Discrimination of Coffee Bean Species Based on Aroma Compounds</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_01123_en_c8ac025ba9.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>Qualitative analysis of aroma compounds can be easily performed using the Smart Aroma Database.</li><li>Intuitive statistical analysis and exploration of characteristic compounds are possible using eMSTAT Solution.</li><li>The AOC -6000 multifunctional autosampler system enables the analysis of aroma compounds without sample pretreatment.</li></ul><p>Common coffee bean types are broadly classified into two types: Coffea arabica (Arabica) and Coffea canephora (Robusta). Among them, Arabica is superior in flavor and is highly favored as a specialty beverage. However, in recent years, there have been multiple reports of products sold claiming to be 100% Arabica while being adulterated with Robusta<sup>1)</sup>. A reported method for discriminating between the two is the analysis of lipophilic extracts of coffee beans using a benchtop NMR spectrometer<sup>1)</sup>. This method uses 16-O-Methylcafestol, which is present in Robusta but almost undetectable in Arabica, as a marker. However, it requires complicated pretreatment such as extraction and concentration.&nbsp;</p><p>Therefore, in this Application News, we investigated a method to discriminate between Arabica and Robusta more easily and rapidly using GC-MS/MS and the statistical analysis software eMSTAT Solution.</p><h5><strong>Sample and Analytical Methods&nbsp;</strong></h5><p>Commercially available coffee beans roasted at the same roastery were used as samples. Four brands of Arabica (Kilimanjaro, Brazil Bourbon, Mandheling G1, Brazil No.2 #18) and two brands of Robusta (Vietnam Robusta, Java Robusta) were prepared (Table 1). Each brand was individually crushed with a mill, and 1 g was weighed and sealed in a screw vial.</p><p>Volatile compounds were concentrated and introduced into the GC-MS using the HS-SPME method and then analyzed under the conditions registered in the GC-MS(/MS) Smart Aroma Database (Table 2). The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMSTQ8040+NX"><strong>GCMS-TQTM8040 NX</strong></a> and the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=AOC-6000"><strong>AOC-6000 multifunctional autosampler</strong></a> system were used as the analytical instruments (Fig. 1). To verify whether rapid analysis is possible, a temperature ramp of 10˚C/min was adopted, and a low-polarity column was used to obtain stable retention times for each compound. Data acquisition was performed in Scan mode or MRM mode, and each sample was analyzed three times.</p><h4><strong>Exploration of Characteristic Aroma Compounds for Arabica and Robusta&nbsp;</strong></h4><p>Next, we investigated which compounds contribute to the discrimination between Arabica and Robusta. The PCA score plot (Fig. 4) reflects the differences in the tendencies of each group, with Arabica distributed on the left side and Robusta on the right side, clearly separated along the first principal component (PC1) axis. Referring to the corresponding loading plot, compounds located on the left side of the origin tend to have higher area values in Arabica, which is also positioned on the left in the score plot. On the other hand, compounds on the right side tend to show higher values in Robusta, which is located on the right in the score plot. In other words, the difference in the balance of these compoundsisthe main factorseparating the two groups. First, Arabica was commonly rich in compounds such as 5-Methyl furfural, Acetoin, and Furaneol acetate. MS chromatograms analyzed using LabSolutions Insight GCMS are shown in Fig. 7. In eMSTAT Solution, not only score plots and loading plots but also box plots can be easily drawn, making it possible to easily visualize and compare the distribution tendencies of each compound. From the box plots of the above compounds (Fig. 8), it was visually confirmed that all of them are contained in abundance in Arabica. These compounds are sometimes described as having a roasted or creamy quality, and it can be inferred that this result supports the characteristics of Arabica, which issuperior in aroma and acidity.&nbsp;</p><p>On the other hand, a compound found in abundance in Robusta was p-Vinylguaiacol. This compound is known to cause an offflavor similar to a medicinal odor in sake, and its content was low in Arabica. From this, it was suggested that p-Vinylguaiacol may be one of the compounds contributing to the bitterness and offtastes characteristic of Robusta.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>In this Application News, we investigated the discrimination of coffee bean types based on aroma compounds using the triple quadrupole gas chromatograph mass spectrometer <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMSTQ8040+NX"><strong>GCMSTQ8040 NX</strong></a> and the GC-MS(/MS) <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Smart+Aroma+Database"><strong>Smart Aroma Database</strong></a> for aroma analysis.&nbsp;</p><p>Four types of Arabica and two types of Robusta were analyzed as samples. Analysis using Scan data confirmed a tendency for the two types to separate. Subsequently, data was acquired in MRM mode, which offers higher sensitivity and selectivity, and detailed analysis was performed using the statistical analysis software eMSTAT Solution. As a result, the two groups were clearly separated in PCA and cluster analysis, demonstrating the effectiveness of discrimination by this method. Additionally, a discrimination model was developed and validated, confirming that highly accurate discrimination is possible.&nbsp;</p><p>From the above results, we conclude that the discrimination of coffee beans by aroma compound analysisis highly feasible using this method. Furthermore, this method enables a comprehensive workflow, from discrimination to the identification of characteristic compoundsfor each type.</p><h3><strong>4. Waters Corporation: Improvements to the Analysis of PBDEs in Environmental Matrices: Transitioning from EI Magnetic Sector to GC-APCI TQ MS/MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009372_7abfa9f0e9.pdf"><strong>Full PDF for download</strong></a></li></ul><p>This poster evaluates the transition of polybrominated diphenyl ether (PBDE) analysis in environmental samples from traditional electron ionization high-resolution magnetic sector GC-MS to a modern <strong>GC-APCI triple quadrupole MS/MS (GC-APCI TQ MS/MS)</strong> workflow. PBDE flame retardants are highly regulated due to their environmental persistence and potential health risks, making accurate and reliable analytical methods essential. The study investigated whether a GC-APCI MS/MS approach could match or exceed the performance of established GC-HRMS methods while offering greater flexibility and modernization opportunities.</p><p>The method was developed on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/554"><strong>Waters Xevo TQ Absolute mass spectrometer</strong> </a>equipped with APCI ionization and an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890 GC</strong></a>. A key innovation was the use of <strong>nitrogen as the carrier gas instead of helium</strong>, helping laboratories reduce dependence on helium supplies and mitigate increasing helium costs. By applying nitrogen flow ramping, the authors maintained chromatographic resolution and runtime comparable to the reference helium-based method without requiring changes in column dimensions. The approach also reduced the risk of thermal degradation of highly brominated compounds such as BDE 209 and achieved faster elution while preserving peak shape and separation quality.</p><p>For quantitative analysis, up to six MRM transitions per analyte were monitored, taking advantage of the characteristic isotope patterns of brominated compounds. The use of multiple transitions improved selectivity and sensitivity, while Waters waters_connect software enabled summation of MRM signals to enhance signal-to-noise ratios near detection limits. Excellent calibration performance was achieved across more than three orders of magnitude, with correlation coefficients above 0.999 for all analytes. Internal standards and recovery standards demonstrated strong reproducibility, and quality control samples showed precision typically below 15% RSD and acceptable accuracy across low, medium, and high concentration levels.</p><p>The authors conclude that an all-nitrogen GC-APCI TQ MS/MS configuration can successfully meet the performance criteria established for PBDE analysis by reference EI GC-HRMS methods. The workflow maintains critical chromatographic separations, delivers accurate quantitative results, and offers a platform that could potentially combine PBDE determination with other halogenated flame retardants in a single analytical method. These findings demonstrate that GC-APCI TQ MS/MS represents a robust and practical modernization strategy for environmental PBDE analysis.</p></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 25, 2026

Tracking Microplastics and Their Associated Chemical Additives in Plant Tissues: A Pyrolysis GC-MS Approach to Identification, Quantification, and Translocation Mechanism

Analytical investigation of metal distribution from e-cigarette aerosols to lung deposition using multi-platform mass spectrometry

<p><strong>In the week of June 22, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Mettler-Toledo: Removal of tire wear in stormwater tanks: In Situ Microflotation with TGA TED-GC/MS Analysis</strong></h5><ul><li>Tu, 23.6.2026 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6269">Registration</a></li></ul><p>Improve tire wear removal in stormwater tanks. Learn how in-situ microflotation separates hydrophobic microplastics and how TGA TED-GC/MS quantifies tire road wear particles (TRWP) to meet water standards.</p><h5><strong>2. Restek Corporation: EMEA live | Mass Spectrometry - Can It Really Be So Easy?</strong></h5><ul><li>Tu, 23.6.2026 14:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6274">Registration</a></li></ul><p>Demystify mass spectrometry. Learn the essential theory, decode common MS terminology, and discover practical tools to solve daily analytical challenges.</p><h5><strong>3. Separation Science: Safeguarding GC-MS Workflows: A Practical Guide to Switching from Helium to Hydrogen Carrier Gas</strong></h5><ul><li>We, 24.6.2026 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6277">Registration</a></li></ul><p>Switch from helium to hydrogen carrier gas in GC-MS. Learn practical safety steps, method validation, and how to cut analytical cycle times by up to 40% using on-demand hydrogen generators.</p>

Webinars LabRulezGCMS Week 26/2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 22nd June 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you brochure by <strong>Agilent Technologies, </strong>application note<strong> </strong>by<strong> Shimadzu </strong>and posters by <strong>MDCW / William &amp; Mary </strong>and <strong>Waters Corporation / ASMS!</strong></p><h3><strong>1. Agilent Technologies: Operational efficiency for your GC and GC/MS labs with the </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890B"><strong>Agilent 8890B gas chromatography system</strong></a></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/br_8890b_gc_5994_9205en_agilent_fb5db29527.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><h4><strong>Analyze more samples every day with faster cycle times&nbsp;</strong></h4><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890B"><strong>8890B GC </strong></a>provides faster maximum oven temperature ramps and cooldown rates for conventional dual-channel GC. If you want even faster cycle times, an optional rapid cooling fan is available.&nbsp;</p><h4><strong>Achieve excellent repeatability across multiple injections&nbsp;</strong></h4><p>Consistent retention time and area count performance are the cornerstone of what you can expect from the 8890B GC. The system also meets all specifications required for regulatory methods such as USP Method &lt;467&gt; (residual solvents).</p><h4><strong>Shine a new light on your connections and components&nbsp;</strong></h4><p>Make maintenance easier and faster with a built-in oven light that illuminates the internal space on the 8890B GC. That means you can perform tasks like troubleshooting and column installation in less time—and with fewer errors.</p><h4><strong>Boost GC performance with capillary flow technology&nbsp;</strong></h4><ul><li><strong>Backflush</strong> significantly reduces timing between injections, increasing productivity.&nbsp;</li><li><strong>Purged Ultimate unions</strong> provide leak-free connections, reducing downtime.&nbsp;</li><li><strong>Flow splitters</strong> enable data collection from up to three detectors.&nbsp;</li><li><strong>New CFT calculators</strong> let you download calculated setpoints to your method—avoiding time-consuming, error-prone manual input.&nbsp;</li><li><strong>Multidimensional chromatography:&nbsp;</strong><ul><li><strong>Deans Switch</strong> facilitates heart cutting, enabling resolution of trace compound in complex matrices.&nbsp;</li><li><strong>GC x GC flow modulation</strong> enables multidimensional chromatography without the need for cryogen</li></ul></li></ul><h4><strong>Helium conservation module&nbsp;</strong></h4><p>Extend the life of your helium tanks by up to 30 times. The Agilent helium conservation module allows you to use helium for your GC runs and switch to a different gas (typically nitrogen) when your GC is idle. That means you can achieve better control of laboratory operating expenses and avoid workflow disruptions.</p><h4><strong>Alternative carrier gas support&nbsp;</strong></h4><p>Alternative carrier gases like hydrogen and nitrogen are popular low-cost options.&nbsp;</p><p>The <strong>Agilent Hydrogen Sensor Module Series 2 </strong>option adds built-in peace of mind when operating with H2 gas.&nbsp;</p><p>The <strong>Agilent HydroInert source </strong>minimizes sensitivity loss and spectral anomalies associated with H2. It also:&nbsp;</p><ul><li>Maintains spectral fidelity, even for compounds highly susceptible to hydrogenation.&nbsp;</li><li>Improves peak shape for high-boilers, especially polycyclic aromatic hydrocarbons (PAHs)</li></ul><h3><strong>2. MDCW / William &amp; Mary: Decomposition Analysis Using Differing Data Processing Methods to Identify Volatile Organic Compounds</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_25_Weina_2ae94f0998.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>When a body decomposes it emits volatile organic compounds (VOCs). VOCs from decomposing remains have been studied before,1 however there is a gap that remains in the knowledge on VOCs that evolve from submerged decomposing remains. 2 In this study, submerged animal tissue was tested to see how the VOCs can be utilized in forensic settings.&nbsp;</p><p>This study used data obtained last summer using comprehensive two-dimensional gas chromatography – time-of-flight mass spectrometry (GC×GC-TOFMS). Pigs (Sus scrofa domesticus) are often used as analogs in decomposition studies due to similarities with humans. 3 In this study, pork belly samples were submerged in mason jars filled with water and stored at different temperatures. The GC×GC-TOFMS instrument was used to collect odor from above water samples for a period of twelve days.</p><p>GC×GC is often used to analyze complex odor profiles. When analyzing samples with GC×GC, there is a lack of standardization to process the data acquired from time trials. There is a need to discover effective ways to track VOCs for chemical identification and longitudinal analysis.</p><p>The goal of this research was to compare different software approaches to analyze GC×GC longitudinal data to achieve accurate analyte identification, representation of data over time, and effective class characterization.</p><h4><strong>Methods</strong></h4><p>For the first four days, 5 mL of water was taken and run on the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/37"><strong>GC×GC-TOFMS</strong></a>. Thereafter, the samples were sampled and run every three days until day twelve. Data were analyzed initially using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41"><strong>ChromaTOF</strong></a> (LECO Corporation). The samples were then analyzed using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/348"><strong>ChromaTOF Tile </strong></a>and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1873"><strong>ChromaTOF Sync 2D</strong></a> to compare how they can be used in a forensic setting.</p><p>Peak tables were curated in Tile and Sync 2D. Then, ChromaTOF was used as a guide to confirm which peaks were identified correctly. If the compound was correctly identified, the peak would be accepted or kept on the table. If not correctly identified, the peak would either be rejected or deleted. Once the tables were complete from the different software approaches, they were exported to Excel for further comparison.</p><p>In excel, the relevant hits that were identified as decomposition VOCs were compared across the software approaches. The compounds that were most commonly found were compared to existing literature on decomposition VOCs. From there, two tables were built; where one table was compounds confirmed with literature and the other table was compounds not confirmed with literature.</p><p>Comparison between software approaches included looking at different criteria to see which method was the most effective and efficient. The criteria included how long the software approach took, the number of compounds found in each software approach, the accuracy of peak area in the software approach compared to ChromaTOF data, and principal component analysis (PCA) comparison to see which software approach was best used for forensic practice or research.</p><h4><strong>Conclusions</strong></h4><p>Sync 2D showed the capability of showing trends in decomposition compounds</p><ul><li>This software approach can be used in research environment where longitudinal data is needed to determine the trends of decomposition data&nbsp;</li><li>Best purpose: research applications requiring longitudinal tracking&nbsp;</li></ul><p>Coefficient of Variance’s and Fold Change’s PCA plots showed their ability for clear class differentiation&nbsp;</p><ul><li>The two software approaches can be used to distinguish water containing decomposition in a crime scene&nbsp;</li><li>Best purpose: comparison at a single point and time [detailed analysis]&nbsp;</li></ul><p>Fisher Ratio showed a proficiency in identifying top differentiating compounds and showed aptitude for class differentiation&nbsp;</p><ul><li>The software approach would be helpful for cursory analysis for crime scene evidence&nbsp;</li><li>Best purpose: quick comparison of biggest difference for swift identification</li></ul><h3><strong>3. Shimadzu: Determination of Ester and Linolenic Acid Methyl Ester Contents in Biodiesel According to EN 14103:2020</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_05_sca_180_054_en_93d1029b72.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=2060"><strong>NexisTM GC-2060</strong></a> provides reliable analysis of biodiesel samples regarding their ester and linolenic acid methyl ester contents using hydrogen as a cost-effective carrier gas&nbsp;</li><li>It delivers excellent repeatability and provides appropriate safety measures for the use of hydrogen as carrier gas&nbsp;</li><li>The optional multi-mode injection unit (MMI) offers performance equivalent to a conventional split-splitlessinjection unit (SPL), significantly reducing maintenance downtime</li></ul><p>Biofuels play an important role in enabling countriesto meet their greenhouse gas reduction targets. They can be produced from a range of raw materials, including plant oils, animal fats, and used cooking oils. Biodiesel is mainly being produced from rapeseed, soybean, and palm oils. Due to this diversity of feedstocks, continuous quality control is necessary as the quality of the raw material has an enormousimpact on the quality of the biodiesel.&nbsp;</p><p>The EN 14103:2020 describes the determination of total ester content and linolenic acid methyl ester content in biodiesel by means of gas chromatography with flame ionization detection (GC-FID). The total ester content covers a range of fatty acid methyl esters (FAME) from C6 to C24, and linolenic acid methyl ester is investigated separately as interfering reactive compound that might influence long-term stability of the biodiesel. According to the standard, the total ester content must be greater than 90 % (m/m) and the linolenic acid methyl ester content shall be between 1 and 15 % (m/m)1.</p><p>This study shows the analysis of biodiesel originating from rapeseed,soybean, and palm oil using the Nexis GC-2060.</p><h4><strong>Multi-Mode Injection Unit as Alternative&nbsp;</strong></h4><p>Shimadzu’s multi-mode injection unit (MMI) offers reliable splitsplitless mode functionality over a broad range of carbon numbers. It allows analysis of biodiesel samples with high repeatability and provides chromatographic results comparable to those measured with SPL as dedicated split-splitless injection unit. The use of MMI significantly shortens maintenance downtime from tens of minutes for a classical split-splitless injection unit to just a few minutes. Figure 3 gives a direct comparison of an exemplary rapeseed-based biodiesel sample measured with SPL (top) and MMI (bottom).</p><h4><strong>Conclusion</strong></h4><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=2060"><strong>Nexis GC-2060</strong></a> provides reliable analysis of biodiesel samples regarding their ester and linolenic acid methyl ester content according to EN 14103:2020, covering the various ester types commonly in use. It allows repeatable analysis using hydrogen as a cost-effective carrier gas. The optional multi-mode injection unit (MMI) can be selected as alternative to a classical splitsplitlessinjection unit (SPL).</p><h3><strong>4. Waters Corporation / ASMS: Putting the (Atmospheric) Pressure on Forever Chemicals: A Targeted Analysis of GC Amenable PFAS using APGC–MS/MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009413_dfa4082b45.pdf"><strong>Full PDF for download</strong></a></li></ul><p>This poster presents a targeted analytical method for the determination of gas chromatography (GC)-amenable PFAS compounds using atmospheric pressure gas chromatography coupled with tandem mass spectrometry (APGC-MS/MS). The study addresses a key limitation of conventional LC-MS/MS methods, which are highly effective for many PFAS but less suitable for more volatile species such as fluorotelomer alcohols (FTOHs), fluorotelomer acrylates (FTAcr), and fluorotelomer acetates (FTOAc). By incorporating GC-MS/MS analysis, laboratories can obtain a more complete characterization of PFAS contamination across environmental, biological, and food-contact materials.</p><p>The analytical workflow utilized an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890 gas chromatograph</strong></a> equipped with an autosampler and coupled to a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/554"><strong>Waters Xevo TQ Absolute tandem mass spectrometer</strong></a> operated with APGC ionization in positive-ion mode. Separation was performed on an Rtx-200 capillary column, while data acquisition and quantification were managed using <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1544"><strong>waters_connect software</strong></a>. Unlike traditional electron ionization (EI), APGC generated intact protonated molecular ions, significantly improving sensitivity and selectivity for GC-amenable PFAS. A method covering 35 PFAS compounds was developed, achieving lower limits of quantification (LLOQs) of 0.025–0.1 ng/mL for most analytes.</p><p>Several sample types were evaluated, including wastewater, surface water, soil, fish tissue, shrimp, and food-packaging materials. Environmental and biological samples were prepared according to EPA Method 1633A and had previously been analyzed by LC-MS/MS, allowing the GC-MS/MS method to serve as a complementary technique. Food-packaging samples were extracted with methanol containing ammonium hydroxide and analyzed for targeted PFAS. While no target PFAS were detected in the tested packaging materials, multiple GC-amenable PFAS were found in environmental samples. Fluorotelomer alcohols were the most frequently detected compounds, with wastewater and ski-wax-impacted soils showing the highest concentrations.</p><p>The results demonstrate that APGC-MS/MS provides a sensitive and robust solution for the analysis of volatile PFAS classes that may be missed by LC-MS/MS alone. The method delivered accurate quantification, effective chromatographic separation, and reliable recovery in spiked samples. The authors conclude that combining APGC-MS/MS with established LC-MS/MS workflows enables a more comprehensive assessment of PFAS contamination, particularly for emerging fluorotelomer compounds and other GC-amenable PFAS that are increasingly relevant in environmental monitoring and food-packaging investigations.</p></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 26, 2026

<p><strong>This study describes the development and validation of a dual-column, dual-detector HS-GC-FID/FID method for the forensic analysis of ethanol and other low-molecular-weight volatile compounds in biological samples. The method demonstrated excellent linearity, low detection limits, high precision, and accuracy, and was successfully verified through international proficiency testing.</strong></p><p>In addition to routine forensic application, the study reviews current practices in forensic alcohol analysis and highlights the lack of globally harmonized analytical standards. The authors propose essential methodological recommendations to improve the reliability and evidential value of ethanol determination in forensic toxicology.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80"><strong>Dual-Column HS-GC-FID/FID Method for In-Depth Analysis of Low-Molecular-Weight Volatile Alcohols in Postmortem Biological Material&nbsp;</strong></a></h4><p>Paweł Szpot, Olga Wachełko, Kaja Tusiewicz and Marcin Zawadzki</p><p>J. Xenobiot. 2026, 16(3), 80</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.3390/jox16030080">https://doi.org/10.3390/jox16030080</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><div><p>The determination of low-molecular-weight volatile alcohols in <span>postmortem</span> material using headspace gas chromatography (HS-GC) is routinely performed in forensic laboratories. These analyses are important not only for law enforcement agencies in the broad sense, but also for insurance companies that decide on the payment of compensation under insurance policies. Typically, routine determination of alcohols such as methanol, ethanol, isopropanol, n-propanol, and n-butanol is sufficient to establish whether death occurred as a result of poisoning with these substances. In forensic toxicology practice, however, there are also situations in which the determination of additional chemical compounds in biological material proves to be essential. One such compound is acetone, the determination of which is crucial not only in cases of acetone or isopropanol poisoning (since acetone is a metabolite of the aforementioned alcohol) [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B1-jox-16-00080">1</a>], but also in the diagnosis of ketosis caused by diabetes, hypothermia, or starvation [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B2-jox-16-00080">2</a>]. Criminal cases can be complex, and therefore, to achieve a better understanding of the circumstances preceding death, toxicological analyses are sometimes extended to also include other compounds, such as acetaldehyde [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B3-jox-16-00080">3</a>].</p><p><span>Postmortem</span> blood toxicological analysis is of particular importance because it plays a key role in determining the cause of death, especially in cases of unexplained sudden death and deaths occurring under suspicious circumstances. Even a simple screening for volatile chemical compounds can, at an early stage, allow determination of whether death resulted from poisoning or was a consequence of an underlying disease suffered by the deceased (e.g., untreated diabetes) [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B4-jox-16-00080">4</a>].</p><p>One of the fundamental assumptions in forensic toxicological investigations is that their results must have evidential value and withstand scrutiny in court. Only such results can be used, for example, to reconstruct the circumstances preceding death, determine the time of substance intake or the dose of a toxic agent, or assess whether the deceased was intoxicated. This is particularly important in cases of traffic accidents, occupational accidents, drownings, domestic violence, and deaths occurring during police custody. It is worth emphasizing that the interpretation of <span>postmortem</span> toxicological results requires particular caution due to the multitude of “confounding” factors, such as interindividual variability, substance stability, endogenous formation, the postmortem interval (PMI), and the circumstances of death. To avoid introducing additional variables that could further complicate interpretation, the applied analytical method must be reliable, i.e., accurate, selective, resistant to interference, and preferably verified through independent proficiency testing [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B5-jox-16-00080">5</a>].</p><p>In gas chromatographic analysis of low-molecular-weight alcohols, either direct injection or the headspace technique is employed [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B6-jox-16-00080">6</a>]. In the past, even highly invasive approaches were used, such as the direct injection of whole blood into the gas chromatograph injector [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B7-jox-16-00080">7</a>]. However, the headspace technique has become the most widely used technique for the determination of alcohols in forensic laboratories. This preference can be attributed to several well-established advantages, most notably that the method allows the sample to be analyzed with minimal or no preparatory steps, irrespective of the biological matrix (e.g., without extraction or protein precipitation). Additional benefits include practically negligible matrix effects, elimination of the need for inlet liners, thereby minimizing the risk of contamination or carryover within the analytical system, and reduced deterioration of the chromatographic column compared with direct injection.</p><p>However, it should be noted that in the context of postmortem samples (particularly those collected from putrefied cadavers), the impact of decomposition on analyte partitioning cannot be precisely assessed. While headspace analysis generally exhibits negligible matrix effects, pre-death specimens from the same individual are rarely available for direct comparison, making it difficult to determine the extent to which postmortem changes might influence measurements. Moreover, the blood samples are subjected to multiple dilutions with an internal standard, which further minimizes potential matrix effects.</p><p>Despite numerous established methods for the determination of volatile alcohols in postmortem biological samples, current standard approaches often face limitations that can compromise forensic reliability. Single-column analyses may be prone to co-elution and interferences from structurally similar compounds, while reliance on a single detector increases the risk of undetected fluctuations and errors. Additionally, inappropriate selection of internal standards and postmortem formation of endogenous alcohols and other volatile compounds can further bias quantification. These issues highlight a critical gap, as widely adopted methods that integrate redundant analytical controls with validated procedures to minimize errors and ensure evidential reliability remain limited.</p><p>The aim of this study was to develop a method for the determination of methanol, acetone, ethanol, n-propanol, isopropanol, and n-butanol using headspace gas chromatography with dual columns and dual-flame ionization detectors. The practical applicability of the method was demonstrated using authentic forensic samples, including putrefaction fluid and antemortem blood. This study addresses the aforementioned gap by employing a dual-column/dual-FID approach, which allows cross-verification across two independent chromatographic conditions, thereby enhancing both the accuracy and reproducibility of forensic alcohol analysis. Furthermore, this paper aims to draw the attention of toxicologists worldwide to several critical factors that can significantly influence measured ethanol concentrations, potentially leading to legal and financial consequences, such as denial of compensation due to falsely elevated ethanol levels.</p><h4><strong>2. Materials and Methods</strong></h4><h5><strong>2.4. Apparatus</strong></h5><p>A <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=2010"><strong>Shimadzu GC-2010</strong></a> Plus AF IVD system (Kyoto, Japan), fitted with an advanced flow controller (AFC), a split/splitless (SPL) inlet, and two flame ionization detectors (FID), was employed. Samples were processed and introduced via a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=HS-20"><strong>Shimadzu HS-20 static headspace autosampler</strong></a> (Kyoto, Japan), with transfer to the GC through a single SPL inlet. The HS effluent was split equally (1:1) using a SilFlow<sup>®</sup> microfluidic platform (SHI-980-10593, Trajan, Ringwood, VIC, Australia) and directed onto two capillary columns: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=50&amp;search=Zebron-BAC1"><strong>Zebron-BAC1</strong></a> (30 m × 0.32 mm i.d., 1.8 μm film; Phenomenex, Torrance, CA, USA) and Zebron-BAC2 (30 m × 0.32 mm i.d., 1.2 μm film; Phenomenex, Torrance, CA, USA). Each column fed an independent FID channel, allowing concurrent acquisition from both separations. Headspace settings and chromatographic conditions for alcohol congener analysis followed those reported previously in [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B8-jox-16-00080">8</a>].</p><h4><strong>3. Results</strong></h4><p>Validation results are shown in <a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#table_body_display_jox-16-00080-t002">Table 2</a>. All presented values fall within the acceptable range for toxicological analysis of biological materials, in accordance with the recommendations of the German Society of Toxicological and Forensic Chemistry (GTFCh) [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B10-jox-16-00080">10</a>]. Quality-control samples were prepared at three concentrations (low, medium, and high relative to the calibration range) by spiking blank samples. Relative error (RE) values within ±15% and precision expressed as relative standard deviation (RSD) ≤ 15% were considered acceptable, in accordance with GTFCh recommendations. The method, developed in 2019, has been subjected to international proficiency testing for ETB Ethanol in blood (ARVECON) and has consistently achieved positive results in each test. Additionally, the developed method for the determination of ethyl alcohol in blood was evaluated and achieved positive results in other proficiency tests, namely: the AXIO LGC Proficiency Testing Scheme in Drugs in blood Quantitative analyte selection, PT-TX-BLD (accreditation ISO/IEC 17043) (LGC Group Limited, Guildford, UK). Furthermore, the HS-GC-FID/FID method has been successfully implemented for routine toxicological analysis in our laboratory during the past 6 years.&nbsp;</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/J_Xenobiot_2026_16_3_80_Table_2_Validation_results_for_six_quantified_volatile_compounds_methanol_ethanol_acetone_isopropanol_n_propanol_and_n_butanol_64ddd30e8d.jpg" alt="J. Xenobiot. 2026, 16(3), 80: Table 2. Validation results for six quantified volatile compounds: methanol, ethanol, acetone, isopropanol, n-propanol, and n-butanol. " srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_J_Xenobiot_2026_16_3_80_Table_2_Validation_results_for_six_quantified_volatile_compounds_methanol_ethanol_acetone_isopropanol_n_propanol_and_n_butanol_64ddd30e8d.jpg 180w," sizes="100vw" width="1238" height="1073"></p><p>Chromatograms of all compounds analyzed using the presented method, collected on two columns (Zebron ZB-BAC1 and Zebron ZB-BAC2), are shown in <a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#fig_body_display_jox-16-00080-f001">Figure 1</a>. During routine toxicological examinations, we analyzed various biological fluids, including standard matrices such as whole blood, serum, plasma, vitreous humor, and urine, as well as less commonly studied matrices such as bile, putrefaction fluid, and gastric contents.&nbsp;</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/J_Xenobiot_2026_16_3_80_Figure_1_Chromatograms_of_ISTD_and_LOQ_of_volatile_compounds_obtained_from_two_columns_3826b6b870.jpg" alt="J. Xenobiot. 2026, 16(3), 80: Figure 1. Chromatograms of ISTD and LOQ of volatile compounds obtained from two columns (Zebron ZB-BAC1 and Zebron ZB-BAC2) and two flame ionization detectors. The retention time of tert-butanol (ISTD) on the first column was 2.848, and on the second it was 3.131. " srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_J_Xenobiot_2026_16_3_80_Figure_1_Chromatograms_of_ISTD_and_LOQ_of_volatile_compounds_obtained_from_two_columns_3826b6b870.jpg 236w," sizes="100vw" width="1600" height="1056"></p><p>Chromatograms from representative authentic cases are shown in <a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#fig_body_display_jox-16-00080-f002">Figure 2</a>, including putrefaction fluid (containing 0.4‰ of ethanol) compared with a standard whole blood sample containing 1.38‰ ethanol.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/J_Xenobiot_2026_16_3_80_Figure_2_A_Chromatograms_of_putrefaction_fluid_with_ethanol_concentration_of_0_4_B_chromatograms_of_antemortem_blood_sample_with_ethanol_concentration_of_1_38_fe782ce3d1.jpg" alt="J. Xenobiot. 2026, 16(3), 80: Figure 2. (A) Chromatograms of putrefaction fluid (with ethanol concentration of 0.4‰); (B) chromatograms of antemortem blood sample (with ethanol concentration of 1.38‰). Results were provided for both columns: Zebron ZB-BAC1 and Zebron ZB-BAC2." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_J_Xenobiot_2026_16_3_80_Figure_2_A_Chromatograms_of_putrefaction_fluid_with_ethanol_concentration_of_0_4_B_chromatograms_of_antemortem_blood_sample_with_ethanol_concentration_of_1_38_fe782ce3d1.jpg 245w," sizes="100vw" width="1600" height="453"></p><h4><strong>5. Conclusions</strong></h4><p>The findings presented in this study demonstrate that reliable forensic determination of ethanol and other volatile compounds requires a comprehensive analytical strategy that extends beyond routine instrumental analysis. Despite the long-standing use of alcohol determinations in forensic practice, significant methodological limitations persist, particularly with respect to selectivity, internal standard selection, and control of pre-analytical and analytical variables. Based on a critical evaluation of currently published methods and supported by experimental evidence and authentic forensic casework, several key methodological principles emerge as essential for ensuring the evidential reliability of ethanol analysis in forensic toxicology. These principles are summarized below:</p><div><ul><li>Using two columns with different polarities combined with two detectors.</li><li>Avoiding internal standards such as n-propanol, n-butanol, and other substances that are formed <span>postmortem</span> in forensic investigations.</li><li>Utilizing tert-butanol as an internal standard in forensic toxicological practice.</li><li>Analysis of quality-control (QC) concentrations defined by law for DUI threshold limits, with verification that precision and accuracy remain within acceptable ranges.</li><li>Ensuring that sample preparation is performed in facilities free from exposure to airborne organic solvent vapors, particularly methanol and ACN (which are routinely used for protein precipitation in other toxicological analyses).</li><li>Preparation of analytical batches including two replicates of each sample, analyzed in a forward- and reverse-order sequence (e.g., samples 1–5 followed by 5–1) to verify analytical consistency.</li><li>Verification of internal standards and blank samples in each batch to ensure the absence of contamination during the pre-analytical phase.</li><li>Ensuring compliance with the acceptance criterion of a maximum 5% deviation between results, based on four measurements per sample.</li><li>Careful chromatographic evaluation and critical assessment of peak shape, symmetry, and resolution to minimize the risk of undetected interferences, particularly when using detectors such as FID, where retention time is the sole discriminating parameter.</li><li>Routine performance of independent proficiency tests to assess whether the method meets required accuracy and precision standards.</li><li>Biological fluids intended for forensic toxicology testing should be collected in tubes containing sodium fluoride (NaF) and stored under controlled conditions in a refrigerator maintained at 2–8 °C.</li></ul></div></div>

Dual-Column HS-GC-FID/FID Method for In-Depth Analysis of Low-Molecular-Weight Volatile Alcohols in Postmortem Biological Material

<p><strong>In the week of June 29, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Metrohm: Simplifying Through-Container Testing with Raman Spectroscopy in the Pharmaceutical Industry</strong></h5><ul><li>Mo, 29.6.2026 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6308">Registration</a></li></ul><p>In this webinar, we will demonstrate a more robust and practical alternative to SORS for see-through Raman analysis.</p><h5><strong>2. SelectScience: End-to-end PAT: Connecting advanced analytics and data across the bioprocess lifecycle</strong></h5><ul><li>Mo, 29.6.2026 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6307">Registration</a></li></ul><p>Learn how integrated PAT strategies combining NMR, Raman, IR, and digital workflows enable continuous process understanding, smoother tech transfer, and QbD from development to GMP manufacturing.</p>

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