<p><strong>Dimethyl carbonate (DMC) plays a critical role in lithium-ion battery electrolytes, where solvent purity directly impacts performance, safety, and lifetime. Even trace-level impurities can contribute to degradation of solid electrolyte interfaces, consumption of lithium ions, or gas formation—effects that compromise both efficiency and safety.</strong></p><p>As battery materials continue to evolve, analytical approaches must provide both high sensitivity and high-confidence identification. A recent LECO application study demonstrates how combining two GC-MS platforms enables a more complete characterization of DMC impurities than either approach alone.</p><h3><strong>Why Impurity Characterization in DMC Is Challenging</strong></h3><p>Battery-grade solvents demand detection of contaminants across a wide concentration range, starting from major byproducts to trace-level species. In DMC, impurities may include oxygenated compounds, hydrocarbons, and nitriles, many of which arise from synthesis or handling processes.</p><p>These compounds can co-elute or exist at levels below typical detection thresholds, making comprehensive analysis difficult with a single analytical technique. In addition, electron ionization (EI) spectra do not always provide a clear molecular ion, complicating compound confirmation.</p><h3><strong>A Complementary Analytical Strategy: Sensitivity + Confidence</strong></h3><p>The application note demonstrates a combined workflow using the approach:</p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1097"><strong>Pegasus BTX (GC-TOFMS)</strong></a>&nbsp;for high-sensitivity detection</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/38"><strong>Pegasus HRT (high-resolution GC-MS)</strong></a>&nbsp;for accurate mass confirmation</li></ul><p>The<strong> Pegasus BTX </strong>enables detection of impurities at<strong> below parts-per-billion levels</strong>, ensuring that even low-abundance analytes are captured.</p><p>Following detection, the<strong> Pegasus HRT</strong> provides high-resolution, accurate mass data in both EI and positive chemical ionization (PCI) modes. PCI is particularly valuable when EI spectra lack a clear molecular ion, allowing confirmation through common adduct species such as protonated molecular ions [M+H]⁺.</p><p>Because both ionization modes can be accessed without hardware changes, the workflow supports efficient, multi-dimensional confirmation of analyte identity.</p><h3><strong>Observations</strong></h3><p>Using this combined approach, multiple classes of impurities were identified in the DMC sample. These included:</p><ul><li>Oxygenated reaction byproducts</li><li>Alcohols, carbonates, and ethers</li><li>Hydrocarbons and aromatic species</li><li>Additional low-level analytes detected with high library match scores</li></ul><p>Importantly, the high sensitivity of the Pegasus BTX revealed a broader set of low-concentration compounds, while the Pegasus HRT increased confidence in compound identification through accurate mass measurements and confirmation of molecular formulas. &nbsp;</p><p>The study also highlights cases where co-eluting compounds were successfully deconvoluted, allowing individual components to be identified even without complete chromatographic separation.</p><h3><strong>Why This Matters for Battery Materials Analysis</strong></h3><p>This work illustrates a key principle for advanced materials characterization: detection and identification are distinct challenges that often require complementary solutions.</p><ul><li>Detection alone&nbsp;is insufficient without confident identification</li><li>High-resolution confirmation&nbsp;is limited if low-level species are not first detected</li></ul><p>By combining these capabilities, laboratories can gain deeper insight into solvent purity, production processes, and potential performance risks in battery systems.</p><h3><strong>Explore the Complete Study</strong></h3><p>This short overview highlights only a portion of the findings. The full application note provides:</p><ul><li>Detailed acquisition parameters and workflows</li><li>Chromatographic and spectral data examples</li><li>Confirmed impurity lists with retention times and similarity scores</li><li>Examples demonstrating EI/PCI complementarity and accurate mass confirmation</li></ul><p>To better understand how complementary GC-MS techniques can improve confidence in battery solvent analysis, download the full application note: <a target="_blank" rel="noopener noreferrer" href="https://www.leco.com/documents/203-821-731/"><strong>“Battery Solvent Characterization: Identifying Impurities in Dimethyl Carbonate”</strong>.</a></p>

 Confident Identification of Battery Solvent Impurities Using Complementary GC-MS Techniques

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 29th 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 note by <strong>Agilent Technologies, </strong>presentation by <strong>MDCW / William &amp; Mary </strong>and posters by <strong>Shimadzu</strong> and <strong>Thermo Fisher Scientific</strong> <strong>/ ASMS!</strong></p><h3><strong>1. Agilent Technologies: Residual Solvents Analysis Based on the 2025 USP &lt;467&gt; and Chinese Pharmacopoeia (ChP 0861)</strong></h3><ul><li>Application note</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><p><strong>Using the </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8697"><strong>Agilent 8697 headspace sampler</strong></a><strong> and </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890B"><strong>Agilent 8890B GC system</strong></a></p><p>Residual solvents are routinely introduced during pharmaceutical manufacturing as part of synthesis, purification, or formulation processes. Because these volatile organic compounds may pose toxicological risks, their levels must be carefully monitored to ensure patient safety and regulatory compliance. As a result, residual solvent analysis remains a critical component of quality control throughout the pharmaceutical development and manufacturing lifecycle.&nbsp;</p><p>USP &lt;467&gt; provides a harmonized framework for residual solvent analysis, defining solvent classifications, concentration limits, and analytical requirements.1 In September 2025, USP &lt;467&gt; was revised to reflect updated toxicological evaluations and regulatory expectations. The revised chapter expanded the class 2B solvent list and introduced performance requirements for newly added compounds, including tertiary butyl alcohol and cyclopentyl methyl ether (CPME). These updates increase the analytical scope of residual solvent testing and place greater emphasis on consistent system performance and suitability verification. In China, residual solvent control is governed by General Chapter 0861 of the Chinese Pharmacopoeia (ChP 0861)2 , which adopts a risk based classification system consistent with the International Council for Harmonisation (ICH) Q3C.3 Although the Chinese Pharmacopoeia uses different terminology for analytical procedures, its regulatory intent, solvent classification, and control principles are harmonized with USP &lt;467&gt;.&nbsp;</p><p>Gas chromatography with headspace sampling is widely used for residual solvent determination due to its robustness and suitability for volatile analytes. Alongside evolving regulatory requirements, modern GC systems have increasingly focused on intelligent operation to support method execution and compliance. The Agilent 8890B gas chromatograph incorporates GC Assist to help users perform a performance check of the GC system. When performance criteria are not met, the GC system provides alerts to notify the user. Upon user instruction, the GC can initiate a guided troubleshooting workflow, supporting step-by-step fault diagnosis through autonomous diagnostic functions, helping both experienced and less experienced analysts resolve issues efficiently during routine operation. In this application note, a headspace GC/FID method is presented for the determination of class 1, 2A, and the expanded class 2B residual solvents. This study demonstrates how updated regulatory requirements can be addressed using an intelligent GC platform that supports reliable system performance assessment, simplified troubleshooting, and consistent analytical performance.</p><h4><strong>Experimental</strong></h4><p>The experimental conditions described in this study follow the general chromatographic principles outlined in USP &lt;467&gt; procedures A and B. They are also consistent with the recommended headspace GC methods described in ChP 0861. In this work, the screening and confirmation concepts of procedures A and B were implemented simultaneously through a dual-column, dual-FID/GC configuration. Samples were introduced by an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8697"><strong>Agilent 8697 headspace sampler</strong></a> to an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890B"><strong>8890B GC</strong></a> and equally split to an Agilent DB-Select 624 UI and a DB-WAX UI column for parallel detection, as shown in Figure 1. Comparable chromatographic performance was achieved with both helium and nitrogen carrier gases. Data were acquired using Agilent OpenLab CDS version 2.8, and noise was determined using a peak-to-peak (PtoP) approach for calculation of signal-to-noise ratios for target analytes.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>This application note demonstrates a harmonized headspace GC/FID workflow suitable for residual solvent analysis in compliance with both the 2025 revision of United States Pharmacopoeia (USP) &lt;467&gt; and the Chinese Pharmacopoeia (ChP 2025, General Chapter 0861). By implementing a dual‑column, dual-FID configuration on a single inlet, screening and confirmatory analyses can be performed simultaneously, significantly reducing total analysis time compared to traditional sequential approaches while maintaining orthogonal separation selectivity. The integrated Agilent 8697 headspace sampler and 8890B GC platform provides consistent chromatographic performance with both helium and nitrogen carrier gases, supporting flexible laboratory operation without compromising data quality. Beyond analytical performance, the intelligent capabilities of the 8890B GC enhance operational reliability and simplify daily use. Through continuous interaction with the user, the built‑in GC Assist function operates in a guided, wizard‑like manner, leading users step by step through the troubleshooting process for effective fault diagnosis. Together, these features enable a compliant, time-efficient, and user-friendly solution for residual solvent testing under the latest USP &lt;467&gt; and ChP&nbsp;0861 requirements.</p><h3><strong>2. MDCW / William &amp; Mary: Developing a Combined Approach to Green Gunshot Residue Analysis in the Forensic Laboratory</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_24_Saunders_f2c5bcdb20.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>Developing a Combined Approach to Green Gunshot Residue Analysis in the Forensic Laboratory presents a multidisciplinary strategy for improving the forensic analysis of <strong>"green" gunshot residue (GSR)</strong>, which originates from lead-free ammunition. Traditional GSR analysis relies heavily on the detection of lead, barium, and antimony particles using scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDS). However, environmentally friendly ammunition replaces these heavy metals with more common elements, making conventional forensic protocols less effective. The authors therefore propose combining inorganic GSR (IGSR) characterization by SEM-EDS with organic GSR (OGSR) analysis using comprehensive two-dimensional gas chromatography coupled with mass spectrometry (GC×GC-MS).</p><p>The presentation first describes the development of a new SEM-EDS characterization strategy tailored to green GSR particles. Instead of relying solely on the elemental composition defined by existing OSAC guidelines, the approach incorporates both particle morphology and elemental complexity. In parallel, the researchers optimized an extraction procedure for organic residues and developed a dedicated GC×GC-MS method. Method optimization focused on key chromatographic parameters such as inlet temperature, modulation period, carrier gas selection, and oven temperature program. Compared with previously published methods, the optimized workflow provided higher peak capacity, improved analyte resolution, and enhanced detection of characteristic OGSR compounds.</p><p>To verify the analytical performance, the optimized GC×GC-MS method was evaluated using several reference standards, including phthalates, nitroaromatic explosives, nitroglycerin, and a multi-component gun surveillance standard. The resulting two-dimensional chromatograms demonstrated excellent separation and clear identification of compounds relevant to firearm discharge residues, confirming that the method can reliably detect a broad range of organic GSR markers. The combination of enhanced chromatographic separation with mass spectrometric detection offers substantially greater resolving power than conventional one-dimensional GC-MS, making it particularly valuable for complex forensic samples.</p><p>The authors conclude that integrating SEM-EDS with GC×GC-MS provides a more comprehensive approach to modern GSR analysis, particularly for lead-free ammunition. The study successfully established a characterization strategy for inorganic green GSR, optimized extraction and chromatographic conditions for organic GSR, and verified the visibility and identification of target analytes using certified standards. Future work will focus on further method validation, incorporating retention indices and sorbent-based extraction techniques, and strengthening the scientific robustness of the approach to support forensic evidence under <strong>Rule 702</strong>, thereby improving the reliability and courtroom acceptance of green GSR analyses.</p><h3><strong>3. Shimadzu / ASMS: Impact of Soil Matrix on Microplastics Analysis by Py-GC/MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/TP_222_Impact_of_Soil_Matrix_on_Microplastics_Analysis_by_Py_GCMS_63fdb8ef7d.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The matrix is not just background—it actively participates in pyrolysis chemistry. Lignin-rich soils can co-pyrolyze, producing compounds that overlap with common PS or PVC markers, complicating interpretation. Matrix variability is substantial, with clear chemical and physical differences between forest soils, agricultural land, river sediments, and landfill cover materials. Soil particles act as sinks and sorbents, interacting with microplastics and altering degradation pathways. Sample preparation can introduce bias, and in some cases does more harm than good.&nbsp;</p><p>In this poster, we present a method to improve quantitative accuracy in Py-GCMS microplastics analysis by assessing the matrix effect, while also addressing key challenges in the qualitative identification</p><h4><strong>Experimental Methods&nbsp;</strong></h4><ul><li>Three soil samples were collected from different locations (Figure 1) and homogenized using a mortar/pestle.&nbsp;</li><li>From each sample, 200g were dried in a vial for 3 hours at 40C and 2mg was weighed into a PY cup.&nbsp;</li><li>Targeted microplastics include PE, PP, PS, ABS, PMMA, PC, PVC, N6, and N66. The percentage distribution of polymers in the MPs-CaCO3 standard, as well as the mass of each analyte in a 4 mg standard within a CaCO3 diluent, is shown in Figure 1.&nbsp;</li><li>These were analyzed using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Py-GC%2FMS"><strong>PY-GCMS instrument</strong></a>, shown in Figure 2.&nbsp;</li><li>A 5-point calibration curve was prepared, in triplicate, by weighing 0.2mg, 0.4mg, 0.8mg, 2.0mg, and 4.0mg from Frontier’s Low calibration standard mix of microplastics.&nbsp;</li><li>A matrix-matched calibration curve was generated by spiking sample B with the same concentration as the calibration levels.&nbsp;</li><li>Samples were analyzed, and analytes in the sample were quantified in µg, calculated using the calibration curve of known standard concentration.&nbsp;</li><li>Recovery studies were performed in blank samples to evaluate matrix effect for the targeted analytes. For this, a 2mg sample was weighed in triplicate, and 2mg of the standard mix was combined with 2mg of CaCO3 diluent.</li></ul><h4><strong>Conclusions</strong></h4><p>Future work will focus on improving microplastic identification by using multiple markers to reduce false positives, while advancing polymer identification tools and spectral libraries to better handle high-background matrix interferences.</p><p>Sample preparation is an important factor, and it needs to be considered and studied for different sample types, including environmental and clinical samples</p><h3><strong>4. Thermo Fisher Scientific / ASMS: Untargeted analysis of volatile PFAS in indoor air by thermal desorption GC high resolution </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Orbitrap Mass Spectrometer</strong></a></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_004717_lsms_volatile_pfas_air_exploris_gc_efs_po004717_asms2026_na_en_69541bd1e3.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Per- and polyfluoroalkyl substances (PFAS) are persistent “forever chemicals” widely used in consumer products and commonly detected in indoor air. Volatile PFAS can originate from treated materials and degrade into harmful compounds linked to adverse health effects. Thermal desorption (TD) enables efficient air monitoring by preconcentrating volatile compounds for direct GC-MS analysis. Coupling TD with high-resolution Orbitrap GC-MS and advanced data processing allows comprehensive, untargeted screening of PFAS, supporting improved indoor air quality assessment.</p><h4><strong>Materials and methods</strong></h4><h5><strong>Sample preparation&nbsp;</strong></h5><ul><li>PFAS standards prepared in methanol and spiked onto sorbent tubes</li><li>Indoor air sampled (35 L) from carpeted, non-carpeted, and cleaning storage areas&nbsp;</li><li>Air collected using sorbent tubes with pumped sampling (TD-compatible). Test method(s)&nbsp;</li><li>Samples analyzed using thermal desorption (TD)–GC-MS (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Orbitrap Exploris GC</strong></a>)&nbsp;</li><li>TD preconcentration followed by GC separation and HRAM full-scan acquisition (EI/CI)&nbsp;</li><li>Method enabled untargeted screening of volatile compounds.&nbsp;</li></ul><h5><strong>Data analysis&nbsp;</strong></h5><ul><li>Data processed using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76"><strong>Thermo Scientific Chromeleon CDS</strong></a>, FreeStyle, and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1759"><strong>Compound Discoverer Software&nbsp;</strong></a></li><li>Workflow included peak detection, deconvolution, and library matching.</li></ul><h4><strong>Conclusions&nbsp;</strong></h4><ul><li>TD-GC Orbitrap MS enables sensitive, untargeted detection of volatile PFAS in indoor air with minimal sample preparation&nbsp;</li><li>HRAM data combined with advanced software workflows provides confident identification and efficient data filtering&nbsp;</li><li>Higher PFAS levels observed in carpeted and cleaning areas, highlighting indoor sources and exposure risk</li></ul></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 27, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 20th July 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you posters by <strong>Agilent Technologies / ASMS,&nbsp;</strong> <strong>Bruker / ASMS</strong>, presentation by <strong>MDCW / University of North Dakota </strong>and application note by <strong>Shimadzu!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Extractables Analysis of Food Contact Materials Using High-Resolution GC/MS and LC/MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_fcm_extractables_lc_q_tof_wp_311_asms_2026_en_agilent_f5d83c8730.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>Chemicals residing in food contact materials (FCM) can migrate from packaging and containers into food. The FCM include a variety of materials including paper and plastic among others. The substances that migrate from FCM include volatile, semi-volatile and non-volatile compounds and therefore a combination of GC/MS and LC/MS techniques is needed for comprehensive analysis of potential migrants. In this study we evaluated different types of FCM including food vacuum sealer bags, heavy duty plastic food containers as well as lined paperboard containers. Various solvents were assessed for their ability to extract different classes of food packaging-derived chemicals. For increased confidence in compound annotation, high-resolution GC and LC MS platforms were used in this study in combination with application-specific accurate mass libraries.</p><h4><strong>Experimental</strong></h4><h5><strong>GC/Q-TOF&nbsp;</strong></h5><ul><li><strong>MS:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?from=1990&amp;mainauthorItems=10&amp;search=7250&amp;to=2026"><strong>Agilent 7250 GC/Q-TOF</strong></a></li><li><strong>GC: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?from=1990&amp;mainauthorItems=10&amp;to=2026&amp;search=8890"><strong>Agilent 8890 GC</strong></a></li><li><strong>Column: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?from=1990&amp;mainauthorItems=10&amp;to=2026&amp;search=DB-5Q"><strong>Agilent DB-5Q</strong></a>, 30 m, 0.25 mm, 0.25 µm</li></ul><h5><strong>LC/Q-TOF</strong></h5><ul><li><strong>LC: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=1290+Infinity+II"><strong>Agilent 1290 Infinity II</strong></a></li><li><strong>MS: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=Revident"><strong>Agilent Revident LC/Q-TOF</strong></a></li><li><strong>Analytical column:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=Poroshell+Aq-C18"><strong>Agilent Poroshell Aq-C18</strong></a> 2.1 x 150 mm, 2.7µm column</li></ul><h4><strong>Conclusions</strong></h4><p>FCM extractions were optimized and successfully analyzed using a variety techniques based on highresolution GC/MS and LC/MS. Combination of different high resolution MS techniques helped to ensure a comprehensive E&amp;L compound coverage. E&amp;L focused accurate mass libraries were key to efficient data analysis.</p><h3><strong>2. Bruker / ASMS: Novel data processing workflow including in-silico derivatization for integrated CI &amp; EI MS data acquired with the GC-ecTOF instrument</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/asms_2026_thp_429_in_silico_derivatization_for_integrated_ci_ei_ectof_fb022d26ba.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>Combined suspect and non-target GC-MS analysis of volatile and semi-volatile compounds holds relevance for environmental monitoring &amp; research, food, flavor &amp; fragrance analysis as well as metabolomics studies. The combination of Chemical Ionization (CI) and Electron Ionization (EI) in the ecTOF instrument (Bruker Daltonics, Bremen, Germany) can improve the identification confidence of unknown compounds, especially in complex samples and when no standards are available. The simultaneous usage of two complementary ionization techniques brings additional advantages for quantification workflows. To leverage these benefits, a novel data processing approach has been developed, and applicability is shown in two study designs.</p><h4><strong>Methods</strong></h4><p>Derivatized samples from two studies were analyzed using the GC-ecTOF instrument. Data were converted to TSF format and processed with prototype versions of MetaboScape and TASQ. Untargeted feature detection was performed on the CI data stream, including de-isotoping, de-adducting for CI-specific ions [M-H]⁺, [M]⁺, [M+H]⁺, [M+NH₄]⁺, [M-CH3 ] + and retention time alignment across all samples.</p><h4><strong>Conclusion</strong></h4><ul><li>Untargeted feature finding and streamlined annotation of ecTOF supported by in-silico derivatization and in-silico fragmentation extends GC-MS analysis for metabolomics and non-target screening.&nbsp;</li><li>In-silico derivatization permits complementary annotation for compounds lacking reference standards.&nbsp;</li><li>Simplified process from identified markers in profiling experiments to target screening and quantitation methods.</li></ul><h3><strong>3. MDCW / University of North Dakota: Identifying the transition from ante-mortem to post-mortem odor in cadavers cadavers in an outdoor environment</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_23_Patel_2a1bb7a2fa.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>This presentation investigates how the characteristic odor of a human body changes during the transition from life (ante-mortem) to decomposition (post-mortem). The researchers focused on identifying volatile organic compounds (VOCs) released during the early post-mortem period and determining when the scent profile changes from that of a living person to that associated with human remains. Understanding this transition is particularly important for improving search and rescue operations, where distinguishing between living victims and deceased individuals is essential for deploying search-and-rescue dogs and human remains detection dogs effectively.</p><p>To study this process, VOC samples were collected from body donors at both a morgue and an outdoor decomposition research facility (REST). Air samples were collected using sorbent tubes and ACTI-VOC pumps after controlled VOC accumulation and sampling periods. Chemical analysis was performed using <strong>thermal desorption comprehensive two-dimensional gas chromatography coupled with mass spectrometry (TD-GC×GC-MS)</strong>. The analytical system employed a Restek <strong>Rxi®-624Sil MS</strong> first-dimension column and a <strong>Stabilwax®</strong> second-dimension column, with electron ionization (70 eV) mass spectrometry covering a mass range of <strong>29–300 amu</strong> at an acquisition rate of <strong>250 spectra/s</strong>. Data processing combined <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41"><strong>ChromaTOF</strong></a> software with <strong>RStudio</strong> for feature alignment, normalization, filtering, and manual verification of VOC profiles.</p><p>The study identified <strong>827 volatile organic compounds</strong>, representing a wide range of chemical classes including nitrogen-containing compounds, esters, halogenated compounds, aromatics, alcohols, ketones, aldehydes, sulfur-containing compounds, ethers, and acids. By comparing experimentally detected VOCs with compounds previously reported in the literature for both living humans and decomposing remains, the researchers identified <strong>33 trans-mortem VOCs</strong> that characterize the transition between ante-mortem and post-mortem odor. VOC profiles were then monitored throughout decomposition for individual donors, allowing the team to visualize how the relative contributions of ante-mortem, trans-mortem, and post-mortem compounds evolved over time.</p><p>The results showed that ante-mortem and trans-mortem VOCs remained detectable during the earliest stages after death, while post-mortem odor compounds became increasingly dominant after approximately <strong>Accumulated Degree Days (ADD) 73.4</strong>, corresponding to <strong>Experimental Day 3</strong>. The authors conclude that although these findings improve our understanding of early decomposition odor chemistry, additional studies across different environments and seasonal conditions are needed to standardize VOC-based approaches and further support forensic investigations and search-and-rescue applications.</p><h3><strong>4. Shimadzu: Gas Analysis for CO2 Conversion Using a GI-30 Auto Gas Injector</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_00964_en_2482908145.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The catalytic conversion of carbon dioxide (CO2) to methanol (MeOH) and to hydrocarbons has garnered significant attention as a strategy to realize a sustainable chemical industry. Analytical targets in CO2 conversion studies typically include carbon monoxide (CO), hydrocarbons, alcohols, and other reaction products. Selection of appropriate column and detector combinations must therefore be guided by the nature and concentrations of target analytes.</p><p>In this application news, we demonstrate simultaneous analysis on two parallel columns by using INJ2-way branch unit to permit detection of CO and hydrocarbons together with alcohols such as MeOH. We also present a simplified measurement approach employing a single-column configuration equipped with a thermal conductivity detector(TCD).</p><h4><strong>System Configuration and Analysis Conditions</strong></h4><p>Two reaction schemes using CO2 as feedstock were envisaged: (1) MeOH synthesis and (2) conversion to hydrocarbons. The instrumentation comprised the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?from=1990&amp;mainauthorItems=1&amp;to=2026&amp;search=GI-30"><strong>Auto Gas Injector GI-30</strong></a> and the SPI inlet, which minimizes air ingress and sample adsorption (Fig. 1).&nbsp;</p><p>For the MeOH synthesis application, a Jetanizer -FID—which permits detection of CO and CO2 that are not observable by a conventional FID—was employed. A MICROPACKED-ST packed column provides separation of CO from O2 (ambient contamination); however, higher-boiling hydrocarbons and alcohols such as MeOH are not eluted from this column. To achieve comprehensive analysis, the injector was splitted and an SH-Q-BOND capillary column was used to resolve hydrocarbons and MeOH concurrently. The injection-port splitting is implemented using dedicated hardware (Application News No. 01-00661-EN).&nbsp;</p><p>For the conversion to hydrocarbons scenario, when analytes are permanent gases and C3-or-smaller hydrocarbons, quantitative analysis can be performed with a single MICROPACKED-ST column coupled to a TCD. The TCD responds to differences in thermal conductivity between carrier and analyte gases; measuring low–thermal-conductivity species such as hydrocarbons requires a carrier gas with high thermal conductivity (helium or hydrogen) (Table 1). The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?from=1990&amp;mainauthorItems=1&amp;search=gc-2050&amp;to=2026"><strong>Brevis</strong> <strong>GC-2050</strong></a><strong> TCD</strong> uses a single filament design, resulting in rapid baseline stabilization (~10 minutes), which is advantageous for routine operation.</p><h4><strong>Conclusion</strong></h4><p>Using INJ2-way branch unit enables simultaneous analyses using distinct column-detector combinations within a single chromatographic cycle, permitting comprehensive quantification of reaction products from CO2 conversion— ranging from CO and hydrocarbons to alcohols such as MeOH. For analyses restricted to hydrocarbons up to C3, a streamlined single-column TCD configuration provides sufficient separation and sensitivity. It should be noted that MeOH and hydrocarbons of carbon number ≥ C4 may adsorb or be retained on the MICROPACKED-ST column; periodic column conditioning is therefore recommended.</p></div></div></div></div></div></div></section></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 30, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 27th July 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies </strong>and<strong> Thermo Fisher Scientific, </strong>poster by <strong>MDCW / University of Washington </strong>and brochure by <strong>Shimadzu!</strong></p><h3><strong>1. Agilent Technologies: Routine Trace‑Level Analysis of m‑Xylene in High‑Purity p‑Xylene</strong></h3><p><strong>Using the </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890B"><strong>Agilent 8890B GC system</strong></a></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_trace_analysis_m_xylene_high_purity_p_xylene_5994_9329en_agilent_508bcfb48c.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The Agilent 8890B GC system builds on the exceptional performance of the Agilent 8890A GC, with the addition of many features designed to enhance the user experience for both new and expert‑level operators. This application note explores several use cases of these features applied to a challenging GC purity method—quantifying trace‑level m‑xylene (MX) in p‑xylene (PM). This separation requires careful balancing of optimized chromatographic parameters— speed, resolution, and sensitivity. Leveraging Agilent GC Assist features, including early maintenance feedback (EMF) counters and automated peak evaluation capabilities integrated into the 8890B GC, helps maximize method robustness and instrument uptime.&nbsp;</p><p>Though conceptually simple, separating and measuring small quantities of m‑xylene in p‑xylene is a challenge that requires precise instrument control and the highest‑quality GC parts and consumables. As both compounds are positional isomers and have nearly identical boiling points, separation has historically been achieved using a long and highly polar column, such as a polyethylene glycol "wax" phase. ASTM D7504 recommends a wax column with dimensions 60&nbsp;m × 0.320 mm and 0.25 µm phase thickness. A 0.50 µm phase thickness can be used for increased resolution.1 The separation is validated with a p‑xylene standard containing approximately 1,000 ppm m‑xylene. Measuring m‑xylene at significantly lower concentrations requires an increase in resolution between MX and PX, which can be accomplished by increasing the phase thickness of the column at the cost of increased peak broadening. This broadening negatively impacts the limit of detection (LOD) and the limit of quantification (LOQ) for MX and must be offset by reducing the inner diameter of the column to resharpen the peak. This application note demonstrates the use of 0.200 mm and 0.100 mm id wax columns to yield optimized separations, presenting the associated benefits and limitations of both&nbsp;separations.</p><h4><strong>Experimental</strong></h4><p>An <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890B"><strong>8890B GC</strong></a> was configured with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7650A"><strong>Agilent 7650A automatic liquid sampler</strong></a> (ALS), split/splitless (SSL) inlet, and flame ionization detector (FID). Two columns were used to explore two different separation speeds—a faster separation with less sample capacity using an Agilent J&amp;W DB‑WAX&nbsp;FF column, 20 m × 100 µm, 0.2 µm (p/n 127‑7023FF) and a higher‑resolution separation with more sample capacity using an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=J%26W+HP%E2%80%91INNOWax"><strong>J&amp;W HP‑INNOWax</strong></a> column, 50 m × 200 µm, 0.4 µm (p/n 19091N‑205I). Both methods used hydrogen carrier gas, and Agilent Gas Clean filters were used to remove moisture, hydrocarbons, and oxygen from the carrier gas and FID hydrogen. The FID air was filtered for moisture and hydrocarbons. The GC configuration and method details can be found in Tables 1 and 2, respectively.</p><h4><strong>Results and discussion</strong></h4><p>Establishing and ensuring the method’s long‑term stability requires protecting the column stationary phase by limiting the amount of oxygen in the system. While carrier gas contamination is typically the largest source of unwanted oxygen, the inlet septum can also contribute to oxygen ingress as successive syringe injections create a hole, necessitating regular changing. The Agilent portfolio of consumables and supplies has several solutions specifically designed to overcome these challenges. The Gas Clean purification system features a carrier gas filter that removes oxygen, moisture, and hydrocarbons and includes a color‑changing visual indicator of filter life, which can be monitored remotely by the 8890B GC using an optional optical sensor. Advanced Green septa are engineered for low bleed and extended durability, further enhanced by using a Blue Line autosampler syringe with a tapered needle to reduce physical coring of the septum. Regular maintenance of these parts maximizes instrument uptime. The 8890B GC has several features designed to warn when maintenance is approaching, assist when maintenance is required, and track when maintenance is completed.</p><p>The 8890B GC features intelligent tracking of the ages of consumables using injection‑ and time‑based counters. These EMF counters feature two optional warning thresholds—"Service Warning" and "Service Due"—that are user‑configurable and function like the oil light on the dashboard of a vehicle, telling users of approaching maintenance. The EMF counters can be accessed directly through the GC touchscreen or through the GC Assist interface. Figure 1 shows an overview of the EMF counters for the front inlet, and Figure 2 presents the detailed history of septum maintenance, including a running tally of injections on the current septum. When performing maintenance on the 8890B GC using the guided maintenance process on the touch screen or GC Assist interface, the EMF counters are automatically reset at the end of the procedure and can also be reset manually. For this application, the EMF counters and appropriate warning thresholds for the septum, liner, syringe, column, inlet gold seal, and carrier gas filter will be explored.</p><h4><strong>Conclusion</strong></h4><p>The Agilent 8890B GC system—powered by the highest‑quality Agilent columns and supplies—delivers a robust, sensitive solution for measuring trace‑level m‑xylene (MX) in p‑xylene (PX). The Agilent J&amp;W HP‑INNOWax column produced the highest‑resolution separation and the best retention time stability, with an S/N ratio of 98.5 for 50&nbsp;ppm MX. The narrower Agilent J&amp;W DB‑WAX FF column yielded a 40% faster run time at the cost of lower resolution and retention time stability, with an S/N ratio of 27.7 for 50&nbsp;ppm MX. The integrated Agilent GC Assist features, peak evaluation and early maintenance feedback (EMF) counters, provide intelligent, automated monitoring of system and separation health, maximizing instrument uptime and supporting long‑term success with routine trace analysis.</p><h3><strong>2. MDCW / University of Washington: Developing 2D mzCompare for single GC×GC-TOFMS chromatograms: Substantial resolution enhancement in the context of statistical overlap theory</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_4_Wenjing_899f31a19e.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>Accurate identification of all detectable analyte components in a single comprehensive twodimensional (2D) gas chromatography time-of-flight mass spectrometry (<strong>GC×GC-TOFMS</strong>) chromatogram is a fundamental interest in the field. Herein, we developed a new algorithmic software approach called 2D mzCompare to generate accurate peak tables for GC×GCTOFMS. Extending from our original method for one-dimensional GC-MS data, the 2D mzCompare algorithm discovers selective mass channels (m/z) for each analyte to resolve overlapping peaks and improve analyte identification, leveraging the similarity in retention time and peak shape across m/z of the same analyte. The 2D mzCompare algorithm calculates the peak shape similarity between m/z at every modulation via lack-of-fit (LOF), followed by clustering and focusing steps, to generate a final peak table. To evaluate this software, we simulated realistic GC×GC-TOFMS data in the context of the statistical overlap theory (SOT), so the exact number and identities of analytes are known a priori. Utilizing an in-house mass spectrum library of similar compounds, GC×GC-TOFMS chromatograms were simulated with varying degrees of chromatographic saturation (𝛼2𝐷). First, we provide a new algorithmic approach, 2D mzCompare, to resolve overlapped analytes in GC×GCTOFMS data, and second, we validate the accuracy of the software performance using SOT.</p><h4><strong>Conclusions and Future Work</strong></h4><p>An extended algorithm, 2D mzCompare designed for intra-chromatogram comparison to enable rigorous analyte discovery and identification, was developed for GC×GC-TOFMS data. Within the context of SOT, 2D mzCompare increases separation resolution by computationally minimizing the 2D peak widths, enhancing 2D peak capacity and reducing the saturation factor. At low saturation factors (𝛼2𝐷= 0.01, 0.03, and 0.1), over 95% of the simulated components are found to be mathematically resolved singlets (pure analyte components) by 2D mzCompare, while approximately 62% were found at 𝛼2𝐷 = 1, exceeding predictions made by SOT. Using optimized 2D mzCompare parameters, improvements in 2Rs and 𝛼2𝐷 are about 12-fold, empirically validating SOT expectations. Furthermore, 2D mzCompare can be used as a preprocessing tool to determine or validate the “rank” (the number of analyte components) in overlapped regions of GC×GC-TOFMS chromatograms when combined with chemometric methods such as MCR-ALS or PARAFAC. Future studies will focus on applying the algorithm to real sample datasets.</p><h3><strong>3. Shimadzu: Meet The World’s First Multi-Mode FID In </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GC-2060"><strong>Nexis GC-2060</strong></a></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/s_gc_f33_3f7f48eead.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>High Performance And Low Maintenance Multi-Mode FID&nbsp;</strong></h4><p>The new FID-U (2.0) in the Nexis <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GC-2060"><strong>GC-2060</strong></a> reengineers conventional FID to maximize uptime and efficiency. With new Air and O2 makeup gas options, you can streamline your gas supply – saving cylinder costs and lab space. Its capabilities can be further expanded with Shimadzu’s proprietary Jetanizer and Polyarc microreactors.</p><h4><strong>Cylinder-Free FID Operation With Hy/Ox and Hy/Air Modes</strong>&nbsp;</h4><p>Routine operation with traditional FIDs is often costly and complex, requiring a three-gas setup: a He or N<sub>2</sub> makeup gas combined with H<sub>2</sub> and Air. The new FID simplifies your infrastructure by introducing Air and O<sub>2</sub> as makeup gas alternatives, unlocking true cylinder-free operation.* This helps to reduce running cost and cut helium usage.</p><h4><strong>Keep Your Bench Space As You Expand Your Analyte Coverage&nbsp;</strong></h4><p>Seamlessly integrate Jetanizer and Polyarc microreactors to boost detector response for weak or undetectable compounds. The new FID delivers simpler quantitation and broader analysis capabilities with zero extra footprint.</p><h4><strong>Jetanizer Mode (CO and CO2 Detection)&nbsp;</strong></h4><ul><li>Converts CO and CO2 to CH4 for detection&nbsp;</li><li>Enabled by simply replacing the FID nozzle&nbsp;</li></ul><h4><strong>Polyarc Mode (Single-Calibration Approach)&nbsp;</strong></h4><ul><li>Converts hydrocarbons, CO and CO2 to CH4 for detection&nbsp;</li><li>Provides universal response across compounds&nbsp;</li><li>Quantitates the above using just one calibration curve</li></ul><h3><strong>4. Thermo Fisher Scientific: Measuring destruction efficiency of greenhouse gases released by semiconductor fabrication tools</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/AN_54654_MAX_i_R_Semi_Febrication_EN_9ce9475305.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Background&nbsp;</strong></h4><p>Modern materials processing activities involve the use of cold plasmas employing fluorinated gases as reactive species. Some of these gases have been demonstrated to exhibit deleterious environmental consequences resulting in their being labelled as greenhouse gases or GHGs. Among the list of GHGs undergoing intense review are those of fluorinated gases, such as NF<sub>3</sub>, CF<sub>4</sub> , SF<sub>6</sub>, CH<sub>2</sub>F<sub>2</sub> , etc. Many of these gases are either reactants or are generated as by-products of semiconductor wafer fabrication processes, such as etching and chemical vapor deposition. Therefore, semiconductor fabrication plants (SemiFabs) employ abatement tools to destroy and dilute these fluorinated gases before they reach a stack scrubber. This process assures that they will meet EPA regulations which require yearly facility-dependent GHG emission audits. European and Asian semiconductor manufacturers must meet similar regulations as well.&nbsp;</p><h4><strong>Problem&nbsp;</strong></h4><p>To ensure that the abatement process occurs efficiently, SemiFabs are required to audit selected abatement devices (one per each wafer processing tool employed) such that each device gets periodically reviewed for efficiency in destroying these GHGs before they are released to the scrubber. Since there are hundreds of abatement devices within a single SemiFab, the monitoring process must be accurate, fast (one or two hours), and able to monitor multiple fluorinated species simultaneously. Most SemiFabs utilize a series of devices to perform the necessary measurements required to calculate an overall destruction efficiency for each fluorinated species. Among the measurements required are the dilution factor (the overall ratio of the flowrate into the abatement device to that of the flowrate out of the abatement device). In most cases, this requires the use of a krypton gas tracer and a mass spectrometer (for measurement of flowrate out) in addition to an FTIR to measure a separate infrared-active gas tracer (for measurement of flowrate in). Also required is another more sensitive FTIR to measure the residual fluorinated gases which survived destructive processes within the abatement device. The result is a very bulky and cumbersome system to measure input and output flows and concentrations. What is needed is a much simpler and fully integrated measurement system capable of performing ALL these tasks.</p><h4><strong>Solution&nbsp;</strong></h4><p>Thermo Fisher Scientific has developed a new methodology for measuring abatement destruction efficiencies with a much simpler system. The system uses the <strong>Thermo Scientific™ MAX-iR™ FTIR Gas Analyzer</strong> with DTGS detector in conjunction with the <strong>Thermo Scientific™ Automated Sample Console (ASC-10™)</strong>. The MAX-iR analyzer can monitor the entire IR spectral range (500-5000 cm-1) without the need for liquid nitrogen. The ASC-10 allows for the precise measurement of post-abatement flow by determining the dilution of a tracer infrared gas or gases; this obviates the need for a spacious and costly mass spectrometer and krypton gas utilized in the previous system.</p></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 31, 2026

<p><strong>High-performance polymers provide unparalleled chemical and thermal resistance, making them ideal for a wide variety of challenging applications in the fields of aerospace and semiconductor fabrication. This resilience poses a challenge for analytical research, further complicated by a significant variety of formulations, including a wide range of additives.</strong></p><p>Recently, the chemists at LECO took on the challenge of characterizing the chemical makeup of a high-performance polymer known as polyphenylene sulfide, or PPS. PPS is a thermoplastic with a semi-crystalline structure, engineered for high heat and chemical resistance. The scientists used two complementary analytical techniques to unravel this complex and challenging sample: <strong>thermal desorption and pyrolysis</strong>.</p><h3><strong>Thermal Desorption and Pyrolysis: Complementary Analytical Techniques</strong></h3><p><strong>Thermal desorption</strong> involves controlled heating of a sample up to 300 degrees Celsius, allowing for the gradual volatilization of key analytes within the sample, ideally without damaging their chemical structure.&nbsp;<br><strong>Pyrolysis</strong> uses much more intense heat, ranging from 600 degrees Celsius and beyond. Rather than focusing on the preservation of volatiles, pyrolysis allows for the analysis of less volatile polymers by splitting these long chains into more easily analyzed segments.&nbsp;</p><p>By performing both methods, the full chemical composition can be revealed: additives and contaminants through thermal desorption, and base polymer structure via pyrolysis. Using only one of the methods would result in an incomplete picture of the polymer, making the analysis much less valuable and leaving gaps in the results.</p><p>This two-pronged analytical approach allows for a more complete analysis of complex and challenging polymers without the significant sample prep time of alternative methods such as dissolution or derivatization. With thermal desorption and pyrolysis, you get the output you need, minus the long wait.</p><h3><strong>Analysis: Why 1D GC Isn’t Enough</strong></h3><p>While thermal desorption and pyrolysis made it possible to analyze the PPS using gas chromatography, analysis of this high-performance polymer necessitates the utilization of equally high-performance analytical instrumentation in order to achieve thorough, trustworthy insights. LECO chemists ran the sample using both GC-TOFMS (gas chromatography time-of-flight mass spectrometry) and GCxGC-HRTOFMS (two-dimensional gas chromatography with high-resolution time-of-flight mass spectrometry), and the differences were noteworthy.</p><p>Multidimensional chromatography resulted in excellent separation of coeluting compounds from the first-dimension separation. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/39"><strong>Pegasus HRT+4D </strong></a>produced cleaner spectra and delivered more compound annotations when compared to 1D GC-HRMS analysis.</p><h3><strong>The Importance of Confident Results</strong></h3><p>Analysis of high-performance polymers is critical to ensure product quality and safety. Since polymers are often used in environments where performance isn’t just expected, but mission-critical, it’s imperative that they perform as intended. Beyond quality control, effective analysis of these polymers allows for the optimization of current industrial processes, as well as the development of better high-performance polymers and manufacturing processes.</p><ul><li>For a closer look at the research and a more detailed description of the process, watch our webinar, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6039"><strong>“Characterization of High-Performance Polymers Using Thermal Desorption/Pyrolysis and High-Resolution Mass Spectrometry”</strong></a></li><li>To learn more about LECO’s work with high-performance materials, check out our <a target="_blank" rel="noopener noreferrer" href="https://www.leco.com/applications/high-performance-materials/"><strong>High-Performance Materials Resource Hub</strong></a></li></ul>

 Solving the Challenge of High-Performance Polymer Analysis with GCxGC-HRTOFMS

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 3rd August 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>and presentation by<strong> MDCW / University of Alberta!</strong></p><h3><strong>1. Agilent Technologies: Analysis of Trace Impurities in Monocyclic Aromatic Solvents Following ASTM D7504</strong></h3><p><strong>Dual simultaneous analysis using the Agilent 8860B gas chromatograph</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_trace_impurity_aromatic_solvents_analysis_astm_d7504_8860_gc_5994_9316en_agilent_c9fa6868e6.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The production of high-purity monocyclic aromatic hydrocarbons, such as benzene, toluene, ethylbenzene, and xylenes (BTEX), is a cornerstone of the modern petrochemical industry. These compounds serve as essential feedstocks for the synthesis of plastics, resins, and textiles. Because even trace impurities can adversely affect downstream chemical reactions and product quality, rigorous analytical testing is required to ensure these intermediates meet strict commercial specifications.&nbsp;</p><p>ASTM D7504 is the industry-standard test method for determining the purity of, and trace impurities in, monocyclic aromatic hydrocarbons using gas chromatography (GC) with flame ionization detector (FID).1 This method is favored for its streamlined workflow; it utilizes effective carbon number (ECN) correction factors for area normalization. This eliminates the need for labor-intensive, multipoint calibrations for every individual impurity, allowing laboratories to calculate purity and quantify trace nonaromatics and aromatics with high precision.&nbsp;</p><p>The application scope of ASTM D7504 covers a wide array of aromatic liquids, including benzene, toluene, mixed xylenes, and styrene. To comply with the method's stringent performance requirements, the GC system must&nbsp;demonstrate:&nbsp;</p><ul><li><strong>High sensitivity: </strong>A limit of quantitation (LOQ) of at least 0.0006% by mass.</li><li><strong>Good resolution: </strong>Maintaining a valley-to-peak ratio of no more than 50% for critical separations (such as p-xylene and m-xylene).&nbsp;</li><li><strong>Strict precision: </strong>Highly reproducible peak areas to ensure accurate purity calculations.</li></ul><p>Implementing ASTM D7504 on a dual-channel GC/FID platform—where two independent analytical channels configured with identical injectors, columns, and detectors operate within a single GC oven—provides significant operational advantages:&nbsp;</p><ol><li>Enhanced laboratory throughput: By performing two injections simultaneously, the test lab can double its sample capacity per instrument, effectively reducing the cost-per-analysis and maximizing hardware ROI.&nbsp;</li><li>Method flexibility and redundancy: A dual-channel set up allows a lab to run different sample types (such as toluene on the front channel and xylene on the back) in a single oven cycle. Furthermore, it provides an immediate "back up" channel to maintain uptime during routine&nbsp;maintenance.&nbsp;</li></ol><p>For the system to be considered reliable, both channels should meet ASTM D7504 sensitivity, resolution, and precision requirements. In addition, both channels should yield consistent quantitative results for the same sample. The reproducibility limit (R) demonstrated in ASTM D7504 interlaboratory testing will be used to evaluate the result consistency between the two channels.</p><p>ASTM D7504 recommends helium and hydrogen as carrier gas. In China, major Chinese petrochemical companies often align their internal quality control standards directly with ASTM D7504 when testing for export of high-purity chemical intermediates. Because nitrogen is commonly used in China, they commonly adapt the ASTM D7504 method to use nitrogen carrier gas.&nbsp;</p><p>This application note demonstrates how dual-channel analysis on the Agilent 8860B GC, following ASTM D7504, delivers consistent and high-precision data using three types of carrier gas.</p><h4><strong>Experimental</strong></h4><p>An <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8860B"><strong>Agilent 8860B GC</strong></a><strong> </strong>was configured with dual split/splitless inlets and dual flame ionization detectors (FIDs). The sample introduction was made by dual <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7693A"><strong>Agilent 7693A automatic liquid samplers (ALS)</strong></a> with high density turrets (16-vial). The analytical parameters and consumables are summarized in Tables 1 and 2. Data acquisition and analysis were conducted using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=OpenLab+CDS"><strong>Agilent OpenLab CDS version 2.8</strong></a></p><h4><strong>Conclusion&nbsp;</strong></h4><p>The Agilent 8860B gas chromatography system configured with two identical analytical channels are applied for impurity analysis in monocyclic aromatic solvents using three carrier gases. Each analytical channel was evaluated according to the ASTM D7504 method in terms of resolution, sensitivity, quantitation precision, and recovery with satisfactory results. The quantitation results between the two channels are consistent with each other.&nbsp;</p><ul><li>Column resolution compounds pair demonstrated good separation with H/V no less than 5:1 for 300 ppm m-xylene and p-xylene solvent.&nbsp;</li><li>The LODs achieved for benzene on each analytical channel are less than 0.0001%, exceeding the 0.0002% LOD required by ASTM D7504.&nbsp;</li><li>The response and mass concentration precisions of most impurities in check standards are below 1%, meeting or exceeding the precision requirements in D7504.&nbsp;</li><li>Excellent recovery results, ranging from 93 to 105%, was achieved for added impurities, indicating good quantification accuracy based on the 8860B GC system.&nbsp;</li><li>The quantitation difference of all probe impurities between two channels is less than the reproducibility thresholds (R), demonstrating excellent across channel consistency</li></ul><p>Besides great instrument performance, the Agilent OpenLab CDS software can realize ECN based normalization for easy and fast quantitation and report generation. The 8860B dual channel GC system coupled with the OpenLab CDS software provides an accurate and reliable analysis of impurities in monocyclic aromatic solvents with satisfactory precision. Lab productivity can be improved significantly compared to the single channel analytical system.</p><h3><strong>2. MDCW / University of Alberta: Leveraging Local Libraries for Positively Parsimonious Peak Tables</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_6_Harynuk_f005bdafaf.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>James J. Harynuk’s presentation, <strong>“Leveraging Local Libraries for Positively Parsimonious Peak Tables,”</strong> explores how custom mass spectral libraries can simplify and improve compound identification in complex GC×GC-(HR)MS datasets. GC×GC-MS is widely applied in petroleum, environmental, food/flavour, and omics research, where samples can contain hundreds or thousands of peaks. While expanded separation space, cleaner spectra, retention patterns, and high-resolution accurate-mass data provide strong identification capabilities, converting large datasets into coherent peak tables with consistent compound assignments across multiple samples remains challenging.</p><p>The presentation demonstrates the approach using a field pea study investigating how nitrogen availability influences plant metabolism and volatile organic compounds. A conventional workflow based on peak finding and library searching can generate very large peak tables and inconsistent assignments. Incorporating retention indices (RI) and LECO’s Identification Grading System (IGS) substantially reduces the number of questionable peaks. In one example, a pea sample containing <strong>789 detected peaks was reduced to 146 retained peaks</strong> after RI filtering and IGS scoring, producing a much more manageable dataset. However, conventional libraries still struggle with isomers and with compounds that repeatedly occur in a laboratory’s samples but cannot yet be confidently identified—the presentation calls these <strong>“unknown knowns.”</strong></p><p>Harynuk therefore proposes building a <strong>custom local HRMS library</strong> containing not only standards and confidently identified compounds, but also reproducible unknown features. To qualify for inclusion, a peak should have a high-quality spectrum, S/N &gt;100, chromatographic purity, occurrence in multiple technical replicates, an assigned retention index, and a unique identifier. Crucially, the exact chemical identity does not need to be known: an unknown but reproducible feature can receive an internal identifier such as “JJH-001” and be updated later as more information becomes available. This allows laboratories to retain analytically meaningful recurring signals instead of discarding them simply because a definitive library identification is unavailable.</p><p>The results show that combining a custom library with local RI data and IGS filtering improves both the consistency and efficiency of peak-table generation. Compounds with IGS scores ≥3.0 were generally assigned the same identification across samples when the custom library was used, while reliance on NIST and IGS alone produced less consistent results. After correcting only a small number of problematic identifications per peak table, retention-index errors for custom-library entries dropped dramatically—in the evaluated samples, typically to around <strong>0.5–1.9 RI units</strong>. The key recommendation is therefore straightforward: <strong>build a custom MS library, include recurring “unknown knowns,” collect local retention-index data, and apply identification-quality filters</strong> to obtain cleaner and more consistent GC×GC-MS peak tables with substantially less manual effort.</p><h3><strong>3. Shimadzu: Simultaneous Analysis of Pesticide Residues in Food Using Triple Quadrupole GC-MS/MS with SPL Mode of a Multimode injection Unit (MMI)</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_01234_en_d8cff47c74.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>User benefits</strong></h4><ul><li>The MMI’s rapid heating and cooling technology significantly reduces waiting time during inlet maintenance, improving instrument uptime.&nbsp;</li><li>The Smart Pesticides Database enables automatic creation of analytical methods without the need for pesticide standards.&nbsp;</li><li>Peakintelligence for GCMS uses AI-based peak processing to deliver highly accurate analysis with no parameter settings required</li></ul><p>GC-MS/MS is an indispensable tool for the simultaneous analysis of pesticide residues in food. However, improving productivity in high-throughput workflows remains a persistent challenge. With the increasing use of simplified sample preparation methods such as QuEChERS, contamination of the inlet by matrix components is unavoidable, and frequent inlet maintenance, including liner replacement, is often required. Because this maintenance involves both cooling the inlet and waiting for temperature re-stabilization afterward, it can become a major source of instrument downtime.&nbsp;</p><p>The newly developed Multi-Mode Inlet (MMI) incorporates Shimadzu’s proprietary thermal insulation technology, providing excellent temperature stability together with rapid heating and cooling performance. While maintaining high data compatibility with conventional split/splitless inlets, the MMI significantly reduces the waiting time associated with inlet maintenance.</p><p>In this Application News, simultaneous multiresidue analysis in SPL mode is demonstrated for four food matrices with different characteristics - spinach, orange, avocado, and ginger - using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ+8040+RX"><strong>GCMS-TQ 8040 RX triple quadrupole</strong> </a>GC-MS/MS equipped with the MMI.</p><h4><strong>Data Analysis&nbsp;</strong></h4><p>LabSolutions Insight, a quantitative data processing software package designed for high-throughput sample analysis, was used for data analysis, with Peakintelligence for GCMS applied as the peak integration algorithm (Fig. 6). Peakintelligence is an AI-based waveform processing algorithm that uses machine learning to emulate the peak processing performed by experienced analysts. It requires no operator-defined parameter settings and provides peak integration performance comparable to that of skilled users.&nbsp;</p><p>For more information on improving the efficiency of pesticide data analysis using Peakintelligence for GCMS, please refer to Application News 01-00585-EN, “<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00585_en_7e311a3c77/an_01-00585-en.pdf"><strong>Time-Saving Data Processing for Pesticide Residues with Peakintelligence for GCMS</strong></a>.”</p><h4><strong>Conclusion&nbsp;</strong></h4><p>In this Application News, an example of simultaneous multiresidue pesticide analysis in food using a triple quadrupole GC-MS/MS equipped with a Multi-Mode Inlet (MMI) was presented. By adopting the MMI, instrument downtime associated with inlet maintenance can be significantly reduced while maintaining high quantitative performance. In addition, by combining automated method creation with the Smart Pesticides Database and efficient data analysis using the AIbased waveform processing algorithm Peakintelligence for GCMS, highly accurate results were obtained even for complex food matrices. This system optimizes the overall analytical workflow, from method development and maintenance to data analysis, and can make a substantial contribution to improving productivity in high-throughput pesticide residue analysis.</p></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 32, 2026

News from LabRulezGCMS Library - Week 33, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 17th August 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>Shimadzu </strong>and <strong>Waters Corporation</strong>, brochure by<strong> Thermo Fisher Scientific </strong>and poster by<strong> MDCW / Arizona State University!</strong></p><h3><strong>1. MDCW / Arizona State University: Identifying Non-Biological Variance in Untargeted Analysis in Breath VOCs</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_8_Zabin_7786c8003b.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>When performing untargeted analyses for breath biomarker discovery, the goal is to identify biological signals in the breath chemistry that can help detect disease states, probe microbial interactions, and track environmental exposures. However, untargeted metabolomics and downstream data analysis workflows are vulnerable to signal contamination by non-biological variance associated with sample collection and handling and instrumental drift, which can obscure meaningful biological patterns.&nbsp;</p><h4><strong>Objective/Aims</strong></h4><p>The goal of this study is to identify and quantify non-biological variance in untargeted volatile metabolomics arising from sample collection procedures and instrumental drift.</p><h4><strong>Methods</strong></h4><p>Breath samples were collected and transferred onto Thermal Desorption Tubes (TDTs) in technical duplicates. TDTs were stored at 4˚C and analyzed using two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/37"><strong>GC×GC– TOFMS</strong></a>).</p><h4><strong>Conclusions</strong></h4><p>Instrument drift and other non-biological factors can strongly affect metabolomics data. Consistent, timedependent patterns of dissimilarity highlight the need to identify and control these sources of variance to ensure reliable biomarker discovery.</p><h3><strong>2. Shimadzu: Analysis of Volatile PFAS in Textiles Using </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8040+RX"><strong>GCMS-TQ8040 RX</strong></a><strong> with MMI</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_01257_en_beb993613a.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>User benefits</strong></h4><ul><li>Using the GCMS-TQ8040 RX and the Multi-Mode Injection Unit (MMI), 12 volatile PFAS including compounds listed in EN 17681-2,<br>can be analyzed at the ppb level without preconcentration.</li><li>The spike recovery test shows good percentage recoveries of all compounds (80–120 %) that are at or below the EU Persistent<br>Organic Pollutants (POPs) threshold limit (25 ppb)</li></ul><p>Per- and polyfluoroalkyl substances (PFAS) are used in textile products because of their useful properties, such as heat resistance and water repellency. However, PFAS are also extremely stable substances that resist degradation and accumulate in the environment, which has led to concerns about their effects on humans. Since eliminating sources of PFAS is essential to prevent them from accumulating in the environment and in living organisms, many countries are passing laws that restrict the production, distribution, and use of PFAS in products. For example, the EU POPs Regulation sets a permitted threshold of up to 0.025 mg/kg (25 ppb) for certain PFAS (including PFOA, PFOS, and PFHxS) in substances, mixtures, or articles1) . EN 17681 defines standard test methods for PFAS analysis in textiles2),3) .&nbsp;</p><p>In a previous <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01108_en_e04fe25939.pdf"><strong>Application News, No. 01-01108</strong></a>, an example of analyzing volatile and nonvolatile PFAS in textiles using LC/MS/MS and GC/MS/MS based on this standard was introduced. This study shows an example of trace analysis of volatile PFAS (Table1) in textiles using the newly developed GCMS-TQ RX series equipped with the Multi-Mode Injection Unit (MMI).</p><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8040+RX"><strong>GCMS-TQ8040 RX&nbsp;</strong></a></h4><p>Delivering highly sensitive multi-component simultaneous analysis, the system improves operational efficiency through Analytical Intelligence , while also providing performance as a single GC-MS. The GCMS-TQ RX Series is a versatile triple quadrupole GC-MS that demonstrates high performance across a wide range of application fields. By combining it with the newly developed Multi-Mode Injection Unit (MMI), multiple injection methods are supported and analytical capability is further expanded.</p><h4><strong>Multi-Mode Injection Unit (MMI)&nbsp;</strong></h4><p>The Multi-Mode Injection Unit (MMI) supports a wide range of injection modes in a single unit, including split/splitless (SPL), programmable temperature vaporization (PTV), large-volume injection (LVI), direct injection, and thermal desorption/extraction (TD/TE). Dedicated software with an intuitive user interface enables easy method creation and seamless method transfer, simplifying analytical workflows. In this Application News, use of the MMI enables a threefold increase the injection volume compared with conventional injection methods, while maintaining peak shape.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>Using the GCMS-TQ8040 RX and the MMI, volatile PFAS in textiles were analyzed. The results showed that all compounds measured in this study could be analyzed at 25 ppb or below. Furthermore, in the spike recovery test at the EU POPs regulatory limit of 25 ppb, recoveries were within 80 to 120 % for all compounds, showing good results. By increasing the injection volume with the MMI, trace levels of volatile PFAS can be measured even with the standard GCMS-TQ8040 RX model.</p><h3><strong>3. Thermo Fisher Scientific: Increase manufacturing productivity with handheld Raman analyzers</strong></h3><ul><li>Product specification</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/tsg3_product_spec_en_c5faf63c57.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Raw material ID testing for pharmaceutical and biotechnology manufacturing quality control processes requires speed, ease and efficiency to maintain continuous manufacturing. Samples are often brought to a quality control lab for testing, increasing costs and decreasing productivity. The Thermo Scientific™ TruScan™ G3 Handheld Raman Analyzer enables non-technical operators to rapidly perform raw material ID testing without the need of a lab, bringing lab-quality performance and results to any setting, whether that be a warehouse or loading dock.&nbsp;</p><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=TruScan+G3"><strong>TruScan G3 Handheld Raman Analyzer</strong></a> uses lab-proven Raman spectroscopy to perform rapid material identification at the point of need to decrease sampling costs and increase inventory turns. Designed for intuitive operation, its non-destructive point-and-shoot sampling principle facilitates rapid verification of a broad range of chemical compounds through sealed packaging to minimize the risk of contamination and exposure.&nbsp;</p><p>The TruScan G3 Handheld Raman Analyzer is built with a state-of-the-art optical platform paired with a field-proven embedded chemometrics engine. Our patented, multivariate residual analysis offers the most effective chemometric solution for material identification – with two spectral pre-processing options, that are easy to operate in challenging environments and sampling conditions.</p><h4><strong>Key features&nbsp;</strong></h4><ul><li>Non-destructive, point and shoot sampling through plastic bags, glass containers, blister packs and clear gel caps&nbsp;</li><li>Optional immersion probe for in-situ analysis and ergonomic comfort</li><li>Backwards compatibility with TruScan RM Handheld Raman Analyzer validated methods, makes TruScan G3 Handheld Raman Analyzer deployment a quick method transfer for a near seamless experience&nbsp;</li><li>A secured method for transferring of data via WIFI or wired connection for peace of mind&nbsp;</li><li>No frequent hardware maintenance nor consumables to operate are required&nbsp;</li><li>Digital data sign-off enhances 21 CFR Part 11 compliance&nbsp;</li></ul><h4><strong>Applications&nbsp;</strong></h4><ul><li>Incoming raw, in-process, or finished material identity verification&nbsp;</li><li>Identity check prior to dispensing of materials during manufacturing&nbsp;</li><li>Field or laboratory counterfeit drug identification</li></ul><h3><strong>4. Waters Corporation: Extending PFAS Analytical Workflows with APGC-MS/MS Analysis: A Method for 35 GC-Amenable PFAS Compounds</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009500_en_4b615b3bc2.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Benefits&nbsp;</strong></h4><ul><li>An APGC-MS/MS method for the analysis of 35 GC-amenable PFAS allowing for characterization of PFAS samples beyond the suite of commonly targeted LC-MS/MS compounds, for a more complete assessment of PFAS burden</li><li>Injection of samples already extracted for LC-MS/MS analysis is possible without having to perform solvent exchange, saving time and labor &nbsp;</li><li>Sensitive and robust analysis to detect trace levels of PFAS in samples</li></ul><p>Routine PFAS analysis most commonly utilizes liquid chromatography (LC) as the separation technique and is the basis for most standardized methods that are currently available. While this is a key technique in the analysis of PFAS, there are classes of volatile and semi-volatile PFAS that do not chromatograph well using LC and require the use of gas chromatography (GC) to be successfully analyzed. Classes of PFAS that favor GC analysis include, but are not limited to, fluorotelomer alcohols (FTOH), fluorotelomer acrylates (FTAcr), fluorotelomer methacrylates (FTMAC), and fluorotelomer acetates (FTOAc). Additionally, there are classes that can be analyzed using both LC and GC techniques, including sulfonamides (PFSA) and sulfonamidoethanols (PFSE).&nbsp;</p><p>All of these compounds are considered precursor compounds that terminally transform into the most widely studied PFAS, perfluoroalkyl carboxylates (PFCA) and perfluoroalkyl sulfonates (PFSA). Not only are they precursors in the synthesis of PFCA and PFSA end products, they are also intentionally used in products such as food packaging and textiles to impart grease and water proofing qualities.&nbsp;</p><p>These precursor compounds are also discharged into the environment through similar routes as their end products (landfills, manufacturing waste, firefighting foams, etc), but also through volatilization, transport and deposition through the atmosphere either in the gas phase or bound to particulates. Like most PFAS, not much is known about the human toxicity of these particular PFAS, although some animal and in vitro studies do point to similar health effects as more commonly studied PFCAs and PFSAs, including liver and kidney toxicity, endocrine disruption and negative immune effects.1-4 Furthermore, their ability to transform in the environment to PFCAs and PFSAs, which are known to have toxic health implications, make them of concern.&nbsp;</p><p>GC-MS/MS analysis for the volatile and semi-volatile GC amenable PFAS provides an additional tool in the workflow of PFAS sample analysis, increasing the comprehensiveness of sample characterization. In this application note, the development of an atmospheric pressure gas chromatography (APGC) coupled to tandem quadrupole mass spectrometry (MS/MS) method will be presented. Application of this method to authentic samples will be explored in a companion application note.</p><h4><strong>Experimental</strong></h4><ul><li><strong>GC system:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890&nbsp;</strong></a></li><li><strong>Autosampler:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7693A"><strong>7693A ALS</strong></a></li><li><strong>MS system:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/554"><strong>Xevo™ TQ Absolute Mass Spectrometer&nbsp;</strong></a></li><li><strong>Ionization mode:</strong> API+</li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>An optimized APGC-MS/MS method for the analysis of 35 GC amenable PFAS has been presented, providing a practical way to extend existing workflows with sensitive and accurate analysis for fluorotelomer alcohols, acrylates, methacrylates, acetates, sulfonamides and sulfonamidoethanols. This approach could integrate seamlessly with existing LC-MS/MS workflows, allowing labs to extend compound coverage without requiring changes to established sample preparation protocols. Performance for all compounds was found to be optimal with the use of a siltek deactivated inlet liner and a 30 m x 0.25 mm ID, 0.50 µm Rtx-200 column. This configuration allows for the injection of samples pre-extracted for LC-MS/MS analysis that are in mainly methanol and water, allowing labs to generate additional insights without increasing sample prep burden. Method LLOQs ranged from 0.005 – 5.0 ng/mL, with most compounds being below 0.10 ng/mL, delivering robust performance across compound classes, indicating the method can be used for trace level applications. Overall, APGC-MS/MS adds a complementary capability to LC-MS/MS methods, allowing labs to comprehensively assess PFAS contamination for better understanding and informed regulatory or product safety decisions. Further application notes will demonstrate the use of this method in environmental and food packaging samples, highlighting how labs can gain more complete PFAS insights while leveraging existing workflows.</p></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 34, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 24th August 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>Shimadzu, Thermo Fisher Scientific </strong>and <strong>Waters Corporation </strong>and poster by<strong> MDCW / GC Image!</strong></p><h3><strong>1. MDCW / GC Image: Alignment and Filtering Tools for Enhanced Differencing of Two-Dimensional Chromatograms</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/P_21_Wu_3838638ea4.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><h5><strong>Challenges&nbsp;</strong></h5><p>Chromatogram-like visual differencing is intuitive, yet simple pixel-to-pixel subtraction often produces noisy artifacts, fails to correct retention-time shifts, and can obscure low-intensity but meaningful differences.&nbsp;</p><p>Previously, we developed comparative visualization methods [1] based on classic image-comparison techniques, including:&nbsp;</p><ul><li>Alignment with specialized color maps to visually highlight discrepancies between chromatograms&nbsp;</li><li>Interactive matching across two chromatograms [2], enabling both qualitative and quantitative side-by-side assessment at the individual-peak level&nbsp;</li></ul><p>We extend this work by presenting a more robust chromatogram differencing visualization method designed to overcome these limitations</p><h4><strong>Example 1: Alignment for Data Fusion (FID vs MS)&nbsp;</strong></h4><ul><li><strong>Data Set:</strong> GCxGC data of a diesel fuel sample&nbsp;</li><li><strong>Instruments:</strong> <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=7890A"><strong>Agilent 7890A GC</strong></a>/InfoMass L10 thermal modulator/Hexin TOFMS<ul><li><strong>Detectors:</strong> FID (350 C, 200 Hz), MS (45-450 m/z, 50 Hz)&nbsp;</li><li><strong>Modulation:</strong> 6 seconds with programmable cold jet gas flow (15L/min to 6 L/min)</li></ul></li></ul><h4><strong>Example 2: Differencing (GC×GC-MS)&nbsp;</strong></h4><ul><li><strong>Data Set: </strong>GCxGC-TOFMS data set of different dark chocolates [3].</li><li><strong>Instruments: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=23&amp;search=AccuTof"><strong>JEOL AccuTof GC mass spectrometer</strong></a> with an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=7890"><strong>Agilent 7890 GC</strong></a></li></ul><h4><strong>Example 3: Differencing with BPC (LC×LC-MS)&nbsp;</strong></h4><ul><li><strong>Data Set:</strong> LCxLC-MS data of different types of beer [4].&nbsp;</li><li><strong>Instruments: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=10&amp;search=1290+infinity+2D-LC"><strong>Agilent 1290 Infinity 2D-LC</strong></a> solution coupled with an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=10&amp;search=6530"><strong>Agilent 6530 Accurate-Mass Q-TOF LC/MS system</strong></a></li></ul><h3><strong>2. Shimadzu: Comprehensive and High-Sensitivity Analysis of Food Aroma by Simultaneous Scan/MRM Measurement Using Triple Quadrupole GC-MS/MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_01_01269_en_657ee319e0.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>User benefits</strong></h4><ul><li>Simultaneous scan/MRM measurement enables comprehensive search by scan measurement and high-sensitivity analysis of trace aroma compounds by MRM in a single measurement.&nbsp;</li><li>With LabSolutions Insight Explore GCMS, deconvolution analysis of scan data and target analysis of MRM data are possible in a single software program.&nbsp;</li><li>The Multi-Mode Injection Unit (MMI), which allows rapid heating, supports aroma analysis in the thermal desorption (TD) mode</li></ul><p>The “aroma” of food products and beverages is a key factor that largely determines product quality and consumer preferences, and thus is an extremely important element in product development and quality control. Since the gas chromatograph mass spectrometer (GC-MS) provides excellent performance in qualitative analysis of volatile compounds, it is used to measure various aroma components that make up an odor. However, due to the diversity of aroma compounds and their wide concentration range, which extends from the ppm to the ppt order, an analytical method that allows efficient measurement of these substances is demanded.&nbsp;</p><p>Non-targeted analysis by scan measurement is an effective tool for comprehensive profiling, but in many cases, it is difficult to identify the trace components that make a significant contribution to aroma due to the limits of instrument sensitivity and matrix interference. On the other hand, although widetarget analysis by the MRM (Multiple Reaction Monitoring) mode using GC-MS/MS offers high sensitivity and selectivity for several hundred target components, MRM lacks a search capability for unknown components.</p><p>Therefore, this Application News article reports a technique that satisfies both comprehensive non-targeted search and highsensitivity detection of trace components in a single analysis by combining the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=8040+RX"><strong>GCMS-TQ 8040 RX</strong></a>, which supports simultaneous data acquisition in simultaneous multi-component analysis measurements by scan measurement and the MRM mode, and the Smart Aroma Database for use in aroma analysis. In addition, in this experiment, the thermal desorption (TD) mode of the Multi-Mode Injection Unit (MMI) was adopted for sample introduction. This enablesintroduction of componentstapped on the adsorbent without using a dedicated TD device, thereby achieving a simplified system configuration.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>This Application News article showed that it is possible to achieve both a comprehensive non-targeted analysis of food aroma and a high-sensitivity wide-target analysis of trace components in a single analysis, without carrying out complicated operations, by simultaneous scan/MRM measurement combining the GCMSTQ8040 RX and the Smart Aroma Database. This article also demonstrated that use of the Multi-Mode Injection Unit (MMI) enables measurements in the thermal desorption (TD) mode without using dedicated TD instrumentation, and also allows a flexible response in case of budgetary or installation space limitations. A comprehensive aroma evaluation based on this approach will facilitate the discovery of important aroma components that were easily overlooked in the past, and is expected to make important contributions to product development and quality control in the food and beverage industries.</p><h3><strong>3. Thermo Fisher Scientific: Implementing EPA OTM-50 for PFAS destruction monitoring by TD-GC-MS/MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_004773_gc_td_gc_ms_epa_otm_50_pfas_an04773_na_en_99fd5fc528.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Per- and polyfluoroalkyl substances are used across a broad range of industrial and consumer applications. As PFAS-containing materials are treated or destroyed, incomplete decomposition can generate volatile fluorinated compounds, including short-chain and ultra-volatile species. These volatile compounds are important because they may provide evidence of incomplete mineralization once emitted from stationary sources.</p><p>EPA OTM-50 was developed to provide a consistent approach for collecting and quantitatively analyzing target VFCs from emissions originating from known industrial products with incomplete thermal destruction. The EPA method uses passivated stainlesssteel canisters followed by GC-MS analysis and is applicable to gas samples collected from industrial source ducts, vents, stacks, and related emission points.&nbsp;</p><p>The method is performance-based, allowing laboratories flexibility in GC column selection, GC conditions, and MS conditions, provided that GC-MS remains the basis for separation and quantitation and the required performance criteria are met. This flexibility is important because OTM-50 analytes span a challenging volatility range and may occur in complex matrices containing CO2 , water vapor, acid gases, and other volatile organic compounds.&nbsp;</p><p>Gas chromatography-based approaches are well suited to volatile and neutral fluorinated compounds. Thermal desorption enables preconcentration of trace-level analytes from air samples, improving sensitivity and enabling detection at relevant levels for environmental studies.&nbsp;</p><p>This application note describes implementation of EPA OTM-50 using cryogen-free thermal desorption coupled to triple quadrupole GC-MS/MS. The workflow addresses key analytical challenges: trapping ultra-volatile compounds such as CF4 , managing high levels of CO2 and humidity, achieving sub-ppbv sensitivity, and maintaining repeatable quantitative performance in support of PFAS destruction monitoring.</p><h4><strong>Experimental&nbsp;</strong></h4><h5><strong>Instrument configuration&nbsp;</strong></h5><p>The analytical system consisted of a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=6&amp;search=UNITY-Kori-CIA"><strong>Markes UNITY</strong></a><strong>-Kori-CIA Advantage HL-xr thermal desorption system</strong> coupled to a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/485"><strong>TSQ 9610 Triple Quadrupole GC-MS/MS</strong></a> equipped with a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=3&amp;search=nevervent"><strong>Thermo Scientific™ NeverVent™ AEI Ion Source</strong></a> (Figure 1). The Markes thermal desorber configuration included cryogen-free focusing, controlled canister introduction, and water and CO2 management strategies.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>This work demonstrates implementation of EPA OTM-50 using thermal desorption coupled to triple quadrupole GC-MS/MS for the analysis of volatile fluorinated compounds in air, with solutions helping to solve key analytical challenges for this type of analysis.&nbsp;</p><ul><li><strong>Alignment with EPA OTM-50 scope:</strong> supports canisterbased analysis of VFCs emitted from stationary sources, including compounds associated with incomplete PFAS destruction.&nbsp;</li><li><strong>Cryogen-free preconcentration:</strong> enables practical trapping and transfer of volatile analytes without reliance on liquid cryogens, reducing operational complexity.&nbsp;</li><li><strong>Improved selectivity through MS/MS: </strong>SRM acquisition on the TSQ 9610 Triple Quadrupole GC-MS/MS improves confidence in target identification and quantitation in complex emission matrices.&nbsp;</li><li><strong>Dual-method strategy for broad volatility coverage:</strong> separate sample volumes for CF4 and the remaining VFCs enable analysis across the challenging OTM-50 volatility range.&nbsp;</li><li><strong>CO2 and humidity management:</strong> controlled dilution, selective trap purging, and Kori-xr water management address two of the most significant matrix challenges in stationary source emissions.&nbsp;</li><li><strong>Robust quantitative performance: </strong>calibration across 0.1–100 ppbv (0.125–50 ppbv for CF4 ) showed R2 ≥ 0.998 for reported compounds or &lt; 20% RSD for Average Response Factor, with pptv MDLs and repeatability generally consistent with OTM-50 precision expectations.&nbsp;</li><li><strong>Industrial relevance: </strong>the workflow supports chemical manufacturing, PFAS treatment, and waste management facilities seeking defensible data to evaluate destruction efficiency and identify products of incomplete destruction.&nbsp;</li></ul><p>Overall, the combination of Markes thermal desorption technology with the Thermo Scientific TSQ 9610 Triple Quadrupole GC-MS/MS provides a practical, selective, and robust analytical approach for laboratories implementing EPA OTM-50 for volatile PFAS and VFC monitoring in air.</p><h3><strong>4. Waters Corporation: Analysis of Polybrominated Diphenyl Ether Flame Retardants in Environmental Matrices Using Atmospheric Pressure Chemical Ionization GC-MS/MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/720009524_en_58a948f96a.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Benefits&nbsp;</strong></h4><ul><li>The performance of atmospheric pressure gas chromatography (APGC ™) on Xevo™ TQ Absolute Mass Spectrometer for the analysis of PBDEs is equal-to or better-than traditional analysis using electron impact magnetic sector making it well suited for use in the most challenging regulatory and standard methods.</li><li>The ability of APGC to tolerate high carrier gas flow helps improve method performance for the most challenging members of this class inlcuding BDE 209 which reduces the need for maintenance and reanalysis of samples.</li><li>Operator training is reduced to weeks from months through conversion of the method from a magnetic sector to tandem quadrupole mass spectrometer.</li><li>Use of a single, inexpensive, readily available gas for chromatographic separation, ionization and MS/MS fragmentation provides a simpler, more sustainable system.</li></ul><p>With the 2001 signing of the Stockholm Convention, the stage was set for global harmonization of efforts to monitor for POPs in the environment.1 By 2004, when countries began implementing the convention, measures aimed at reducing or eliminating intentional and unintentional release of POPs into the environment were supported by annexes that defined the different chemical classes of highest interest which included PBDEs. To date, 185 states plus the European Union have joined in this effort which includes requirements for monitoring for POPs in multiple environmental matrices. Because the implications of unintentional or intentional noncompliance may be subject to enforcement action, high confidence data is needed to support surveillance and reporting efforts. Furthermore, high sensitivity analysis is required due to the possibility of steadily increasing trace levels of PBDEs across years of time through transport in the environment that tends to increase concentrations of persistent organic pollutants such as these in cooler Arctic regions of the globe through the grasshopper effect.2 These requirements initially led to the development of gas chromatography electron ionization high resolution magnetic sector based analytical methods. The performance of EI GC-HRMS in the hands of a well-trained operator and a lab with rigorous quality control procedures has proven to provide the sensitivity and specificity required of the forensic data used in legal actions, for compliance reporting and for providing the greatest protection to populations and the environment.&nbsp;</p><p>However, GC-HRMS has several limitations, including extensive education and training requirements, slow acquisition speeds, and significant laboratory space demands. In contrast, more modern techniques such as tandem quadrupole (TQ) mass spectrometry (MS/MS) offer broad improvements in these areas. Additionally, limitations imposed by EI such as frequent source maintenance and shortcomings caused by carrier gases other than helium hamper this time-honored technique. The more recent combination of APCI with TQ has demonstrated promise in overcoming these limitations while providing data of equivalent confidence to EI GCHRMS.&nbsp;</p><p>After having been deployed in many labs, GC-APCI has continued to contribute to the study of PBDEs in multiple matrices and applications. An evaluation of the first generation of GC-APCI MS/MS, analyzing PBDEs in marine and food samples, reported higher response for higher brominated (Br8-10) congeners than GC-EI-HRMS.3 Later work reported GC-APCI MS/MS LODs comparable or better than EI MS/MS for plasma extracts.4 Recent work reported on the use of GC-APCI HRMS (QTof) as part of the continuation of a 20 year study analyzing aquatic organisms to evaluate environmental PBDE trends.5 In this work, 24 PBDEs plus hexabromobiphenyl were analyzed on a XevoTM TQ Absolute Tandem Quadrupole Mass Spectrometer using the APGC ionization source.</p><h4><strong>Experimental</strong></h4><ul><li><strong>GC system: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=8890"><strong>8890 (Agilent Technologies, Inc.)&nbsp;</strong></a></li><li><strong>Column: </strong>Rtx®-1614, 15 m x 0.25 mm ID x 0.10 µm film (Restek Corporation)</li><li><strong>MS system: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/554"><strong>Xevo TQ Absolute Mass Spectrometer</strong></a></li><li><strong>Software: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1544"><strong>waters_connect™</strong></a> for Quantitation Software</li></ul><h4><strong>Conclusions&nbsp;</strong></h4><p>An all-nitrogen configuration for APGC on Xevo TQ Absolute Mass Spectrometer was successfully applied to the analysis of PBDEs in environmental matrices by adapting a reference method previously used on magnetic sector EI GC-HRMS. All performance criteria were equal-to or better-than those typically achieved by magnetic sector which demonstrates feasibility of GC-APCI MS/MS as an alternative for the most challenging regulatory and standard analytical methods. Furthermore, the change from a vacuum source to the atmospheric ionization source makes the use of high nitrogen carrier gas flow practical which has advantages for operating cost versus helium while achieving similar chromatographic separation and sensitivity. The move to tandem quadrupole mass spectrometry from high resolution mass spectrometry updates the method for improved performance measures such as higher acquisition speeds and high specificity MS/MS while also requiring reduced training time and expertise as compared with magnetic sectors.</p></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 35, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 31st August 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>, <strong>Shimadzu, Thermo Fisher Scientific </strong>and presentation by<strong> MDCW / Liège University!</strong></p><h3><strong>1. Agilent Technologies: Extend the time window for the detection of low level anabolic‑androgenic steroids and their metabolites</strong></h3><p><strong>Steroid profiling, screening, and confirmatory analysis using the </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=7010"><strong>Agilent&nbsp;7010 GC/MS mass spectrometer</strong></a></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/5991_9045_EN_Doping_Control_App_Note_1_13dde5f053.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>Doping laboratories want to have lower detection limits to be able to identify and quantitate illegal drugs for a longer time window between doping and urine sample collection. This Application Note describes how the doping control lab in Kreischa, Germany used the Agilent 7010 Triple Quadrupole GC/MS System (TQ) for enhanced targeted detection of anabolic‑androgenic steroids in urine samples. The 7010 TQ enabled higher sensitivity, longer maintenance-free intervals, and more stable operation than earlier models, and satisfied all measurement specifications required by the World Anti‑Doping Agency (WADA). The 7010 TQ GC/MS ion source produces more ions, and provides exceptional sensitivity for the detection of low intensity metabolites weeks after drug ingestion. However, this higher sensitivity may lead to saturation of endogenous components naturally present at higher concentrations. This method provides a sensitive and robust operation over a wide concentration range, permitting the detection of low-concentration exogenous species in the presence of high‑concentration endogenous species, which can vary with ethnicity.</p><h4><strong>Experimental</strong></h4><p>The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=7010"><strong>Agilent 7010 GC/TQ system</strong></a> consists of an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=7890"><strong>Agilent 7890 GC</strong></a> with multimode inlet and backflush, an<strong> Agilent 7993A</strong>, and the Agilent 7010 TQ mass spectrometer.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>Based on the method optimization and thorough testing at the Kreischa lab, an Agilent 7010 GC/MS-based protocol was developed. This protocol fulfills the screening and confirmation requirements of steroid measurements in doping control labs. With this method, it is possible to detect traces of exogenous anabolic steroid metabolites while quantifying small concentrations of testosterone and epitestosterone typical in Asian populations. It permits the measurement of high‑abundance endogenous steroids such as androsterone and etiocholanolone in the same injection, while analyzing testosterone/epitestosterone and androsterone/etiocholanolone ratios without suppression.&nbsp;</p><p>The backflush capability of the system protects the analytical column, and consequently the mass spectrometer, by removing heavy matrix components. This allowed more than 6,000 samples to be analyzed on the same column without requiring ion source cleaning or filament change. It also demonstrated that the higher, 130&nbsp;eV electron energy did not sacrifice the filament lifetime. It performed reliable measurements of both trace (0.2&nbsp;pg on‑column) and high (10,000&nbsp;pg on‑column) concentration analytes in the same run.&nbsp;</p><p>The method validation revealed that the exceptional sensitivity offered by the 7010 GC/MS can be used to:&nbsp;</p><ul><li>Improve the trace detection ability of the method&nbsp;</li><li>Reduce the amount of sample&nbsp;injected&nbsp;</li><li>Extend maintenance-free intervals</li></ul><h3><strong>2. MDCW / Liège University: The Century Mix: updates and cool projects</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/DG_1_Dimandja_Stefanuto_34c4a66c3d.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The presentation <strong>“The Century Mix: updates and cool projects”</strong> introduces the Century Mix, a standardized reference mixture developed for comprehensive two-dimensional gas chromatography (GC×GC). The mixture contains <strong>100 compounds representing a broad range of chemical classes</strong>, including alkanes, alcohols, ketones, esters, lactones, phthalates, and aromatic compounds. Stability was a key criterion in compound selection, and the mixture was developed through cross-laboratory collaboration for <strong>column characterization, method assessment, and quality control</strong>. Its structured chromatographic behavior also makes it useful for studying how different compound classes behave in GC×GC separations.</p><p>A major part of the work examined the <strong>factors influencing retention indices (RI) in GC×GC systems</strong>, which are important for reliable compound annotation in non-targeted analysis. An inter-laboratory study involved <strong>11 GC×GC systems</strong> using cryogenic, Peltier, and flow modulation, different detectors, and both normal and reversed column configurations. Principal component analysis showed clear grouping according to normal versus reversed orthogonality, confirming the strong influence of stationary-phase configuration. A subsequent design-of-experiments study evaluated <strong>140 combinations</strong> of temperature ramp rate, carrier-gas flow rate, modulation period, and secondary-oven temperature offset.</p><p>The results showed that the influence of experimental conditions is strongly <strong>compound dependent</strong>. Of the compounds evaluated in the statistical model, 33 showed RI variation that could be linked to the investigated parameters, whereas 43 did not follow the model well. Compounds such as quinoline, phthalates, lactones, terpenes, and some aromatic compounds showed particularly pronounced effects. For quinoline, for example, the model explained about <strong>93% of RI variability</strong>, with differences of approximately 75 RI units across the tested conditions, while 2-hexanone showed considerably weaker dependence. Overall, <strong>temperature ramp rate and flow rate emerged as particularly important parameters</strong>, although the magnitude of their effect depended on compound chemistry and column configuration.</p><p>The Century Mix is therefore being developed not only as a characterization mixture but also as a tool for <strong>system quality control and more reliable retention-index prediction</strong>. Repeated standardized QC measurements demonstrated very low RI variability and can be used to monitor system stability, experimental effects, and potential instrument drift. The broader goal is to better understand the fundamental chemistry governing GC×GC retention and ultimately improve method development, data processing, and identification of unknown compounds by combining high-quality separations, mass spectra, and predicted retention information.</p><h3><strong>3. Shimadzu: Determination of Free and Total Glycerol and Mono-, Di-, and Triglyceride Contents in Biodiesel According to EN 14105</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_05_sca_180_055_en_9b8677ed6a.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>User benefits</strong></h4><ul><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=2060"><strong>Nexis GC-2060</strong></a> offers reliable analysis of biodiesel samples regarding their free and total glycerol and mono-, di-, and triglyceride contents, using hydrogen as a cost-effective carrier gas&nbsp;</li><li>Hydrogen carrier gas can be used safely through built-in safety measures</li><li>The multi-mode injection unit (MMI) allows selection of the preferred injection mode – direct (simple OCI) or convenient splitless PTV mode – both delivering excellent instrument performance in line with the standard’s requirements</li></ul><p>Playing a vital part in countries’ efforts to lower greenhouse gas emissions, biofuels can be manufactured from various feedstocks such as vegetable oils, animal-derived fats, and recycled cooking oils. Biodiesel production predominantly uses rapeseed, soybean, and palm oils. Because feedstocks are so varied, ongoing quality monitoring is essential - since the raw material’s quality greatly influencesthe final biodiesel quality.&nbsp;</p><p>The EN 14105:2024 describes the determination of free and total glycerol contents and mono-, di-, and triglyceride contents in biodiesel by means of gas chromatography with flame ionization detection (GC-FID). Injection shall be performed via on-column injector or an equivalent device<sup>1</sup>.&nbsp;</p><p>This study shows the analysis of biodiesel originating from rapeseed, soybean, and palm oil using the Nexis GC-2060 gas chromatograph and its multi-mode injection unit (MMI).</p><h4><strong>Configuration and Analysis Conditions</strong></h4><p>Gas chromatograph <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=2060"><strong>Nexis GC-2060</strong></a> with multi-mode injection unit (MMI), flame-ionization detector (FID) and autosampler <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=AOC+-30i"><strong>AOC -30i</strong></a>.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>Nexis and AOC are trademarks of Shimadzu Corporation or its affiliated companies in Japan and/or other countries.. Nexis GC-2060 provides reliable analysis of biodiesel samples for glycerol and glyceride contents according to EN 14105:2024 across the commonly used feedstocks. It supports hydrogen as a cost-effective carrier gas, while the multi-mode injection unit (MMI) offers selection of the injection mode based on user preference: direct mode representing simple on-column (OCI) analysis or splitless programmed temperature vaporization (PTV) mode as a convenient alternative that delivers comparable performance.</p><h3><strong>4. Thermo Fisher Scientific: Streamlined static headspace GC–MS approach for detection of impurities in recycled PET</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_004458_gc_ms_impurities_recycled_pet_an004458_na_en_6cb2435671.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Polyethylene terephthalate (PET) is a widely used thermoplastic polymer valued for its strength, low weight, durability, and adaptability. Owing to these properties, it is extensively applied in packaging, textile fibers, and electronic components. PET is particularly suitable for recycling because it can be melted and reshaped multiple times with minimal loss of performance, and it is easily recognizable by the recycling code “1” (♳). The recycling of PET involves several stages, including collection, sorting, transport, processing, washing, pelletizing, and remanufacturing into new products [1]. However, during these steps, contaminants such as plasticizers, residual monomers, and degradation byproducts may be introduced.&nbsp;</p><p>The presence of such substances can pose potential risks to both environmental and human health, making the identification and characterization of contaminants in recycled PET essential for evaluating material quality and safety. Among the non-intentionally added substances (NIAS), benzene, acetaldehyde, and limonene are of particular relevance. Benzene is a recognized carcinogen and represents a serious health concern if present in PET. It may form as a degradation product of PET, with the reaction catalyzed by acidic compounds released at high temperatures by polymer impurities such as polyvinyl chloride (PVC). Poor temperature control or overheating can increase benzene formation as a degradation byproduct. Acetaldehyde, another degradation product of PET generated during bottle manufacturing, can alter the sensory properties of bottled beverages. Limonene, a flavor compound commonly present in soft drinks, may be absorbed into recycled PET and subsequently migrate into packaged beverages, potentially affecting product quality.&nbsp;</p><p>Gas chromatography coupled to headspace sampling is a fast and simple technique that enables the extraction of volatile and semivolatile compounds from solid and liquid samples without the need for time-consuming sample preparation.&nbsp;</p><p>In this study, headspace sampling coupled to single quadrupole mass spectrometry was used to assess the overall quantitative performance for analysis of acetaldehyde, benzene, and limonene in recycled PET packaging.&nbsp;</p><p>The capability of the Thermo Scientific™ ISQ™ 7610 single quadrupole GC–MS of combining the simultaneous acquisition of both single ion monitoring (SIM) and full scan (FS) allowed for sensitive targeted analysis as well as screening of unknown contaminants possibly present in recycled PET bottles.</p><h4><strong>Experimental&nbsp;</strong></h4><p>In all experiments, a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/64"><strong>TriPlus 500 HS autosampler</strong></a> was coupled to a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/486"><strong>Thermo Scientific™ TRACE™ 1610 Gas Chromatograph (GC)</strong></a>, configured with a Thermo Scientific™ iConnect™ Split/splitless Injector Module (iConnect-SSL), and connected to an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/484"><strong>ISQ 7610 single quadrupole mass spectrometer</strong></a>.&nbsp;</p><p>The separation of the target analytes was achieved using a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1751"><strong>Thermo Scientific™ Trace GOLD™ TG-624 SILMS capillary column</strong></a>, 60 m x 0.25 mm x 1.4 µm (Part No. 26059-3330). This column provides a low to mid polarity phase with high thermal stability (maximum operating temperatures up to 320 °C) and high inertness, enabling Gaussian peak shapes for analysis of volatile organics. The TriPlus 500 HS autosampler is connected directly to the analytical column, removing the use of a long external transfer line. In this configuration, the SSL injector module is used only for the pneumatic control of the carrier gas and split flow.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>The results presented in this work demonstrate that headspace coupled to GC–MS provides a suitable and simple solution for analysis of contaminants in rPET, with no complex sample preparation required.&nbsp;</p><ul><li>The capability of combining FS with SIM acquisition allows for qualitative and quantitative analysis, increasing confidence in compound identification through spectral comparison with NIST library and allowing for the detection of possible analyte co-elution.&nbsp;</li><li>The TriPlus 500 HS autosampler provides highly repeatable solventless extraction from solid samples with absolute area counts RSD &lt; 5%, permitting reliable and consistent quantitative data.&nbsp;</li><li>The ISQ 7610 single quadrupole GC–MS demonstrates an extended linear response (≥ 4–5 orders of magnitude) with R2 ≥ 0.997, calculated amounts within ± 20% the expected value, and ion ratio deviation ≤ 15% across the calibration curve.&nbsp;</li><li>Sensitivity was demonstrated with overall calculated LOD ≤ 0.03 ng/µL.</li><li>Chromeleon CDS helps ensure data integrity, traceability, and effective data management from instrument control to the final report streamlining analysis and data review processes.</li></ul></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 36, 2026

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