🎤 Presenter: Ryland T. Giebelhaus (University of Alberta, Edmonton, Canada)💾 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/FL_15_giebelhaus_MDCW_talk_58bd3ee4b6.pdf">PDF presentation</a><blockquote>💡 Book in your calendar: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/events/787">17th Multidimensional Chromatography Workshop (MDCW)</a> 13 - 15. January 2026</blockquote><h3>Abstract</h3>With the 2018 legalization of cannabis in Canada, there is growing concern surrounding the impacts of fetal and neonatal cannabis exposures. The long-term outcomes of early cannabis exposures are still unknown; however, some teens who use cannabis have permanent brain changes and increased risk of mental health problems. Much less is known about second-hand cannabis exposure and whether this exposes children to biologically significant levels of cannabis.Our interdisciplinary study follows mothers from early pregnancy until their babies are 18 months old. Mothers complete surveys on cannabis and tobacco use, second-hand exposure, demographics, health, and home environment. We are collecting urine from the mothers and infants, and breastmilk shortly after birth and 3 months postpartum. Additionally, we are utilizing wristband-based passive samplers to profile the exposomes of participants. We are employing comprehensive two-dimensional gas-chromatography time-of-flight mass spectrometry (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=2-13">GC×GC-TOFMS</a>) for the untargeted metabolomics of urine and breastmilk samples to determine how cannabis is metabolized, identify cannabis metabolites and biomarkers of other exposure events including tobacco smoke, and for exposome profiling.Here, we present preliminary results from the initial batch of urine samples we analyzed from the first 100 participants enrolled. In this cohort, 72.8% reported some level of cannabis exposure (first or second-hand) in the prior 12 months, with 9.7% reporting daily or weekly use. In urine, we identified a number of exposure markers, including cannabinoid metabolites, dietary markers, and pharmaceutical metabolites. This research provides valuable information to assist families in making informed choices about cannabis use during pregnancy.

GC×GC-TOFMS metabolomics and exposomics for cannabis exposures (Ryland T. Giebelhaus, MDCW 2025)

Cal State LA has completed a major instrumentation upgrade in its LECO Complex Chemical Compositional Analysis Lab, further advancing the university’s partnership with LECO Corporation and expanding opportunities for student research and training in analytical chemistry. The upgrade replaces the lab’s earlier-generation time-of-flight mass spectrometer with LECO’s newest model, the Pegasus® BTX, a benchtop detector designed for comprehensive two-dimensional gas chromatography (GC×GC) applications. The new system enhances analytical sensitivity, uptime, and throughput for complex chemical studies.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Cal_State_LA_The_LECO_Pegasus_BTX_system_in_Cal_State_LA_s_LECO_Complex_Chemical_Compositional_Analysis_Lab_enhances_research_and_student_training_in_advanced_chemical_analysis_d8245334d6.jpg" alt="Cal State LA: The LECO Pegasus BTX system in Cal State LA’s LECO Complex Chemical Compositional Analysis Lab enhances research and student training in advanced chemical analysis." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Cal_State_LA_The_LECO_Pegasus_BTX_system_in_Cal_State_LA_s_LECO_Complex_Chemical_Compositional_Analysis_Lab_enhances_research_and_student_training_in_advanced_chemical_analysis_d8245334d6.jpg 223w," sizes="100vw" width="600" height="420">The upgrade continues a collaboration that began with the launch of the LECO Complex Chemical Compositional Analysis Lab in 2023. Located in Rosser Hall, the lab serves as a hub for students, faculty, and industry partners to conduct advanced compositional studies of complex chemical samples.<h4>The impact of the Pegasus BTX at Cal State LA</h4>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=Pegasus+BTX">Pegasus BTX</a> is LECO’s latest benchtop time-of-flight mass spectrometry (TOFMS) detector engineered for both GC and GC×GC applications.&nbsp;Key capabilities include:<ul><li>full-mass-range data collection (even during targeted analyses)</li><li>advanced deconvolution for cleaner spectra in dense matrices</li><li>and the StayClean® ion source that is designed to require no source cleaning, even after heavy-matrix exposure.&nbsp;</li></ul>The system offers femtogram-level detection with helium or hydrogen carrier gas, up to 500 spectra/second, a 10–1500 m/z mass range, and five orders of linear dynamic range, all orchestrated by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=ChromaTOF">ChromaTOF</a>® software.These capabilities will support Cal State LA’s research and teaching in areas such as environmental analysis, petrochemicals, life sciences, pharmaceuticals, and food safety, broadening opportunities for undergraduate and graduate students to work hands-on with state-of-the-art GC×GC-TOFMS.“This upgrade accelerates our ability to separate, detect, and identify thousands of compounds in complex samples while training students on industry-relevant workflows,” said <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/articles?search=petr+vozka">Dr. Petr Vozka</a>, associate professor of chemistry and biochemistry at Cal State LA.“We’re excited to support Cal State LA’s mission to prepare the next generation of analytical scientists,” said Farai Rukunda, Director of Separation science at LECO Corporation. “The Pegasus BTX gives students access to the same technology they’ll use in professional laboratories.”<h4>A growing collaboration</h4>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/article/3246">LECO Complex Chemical Compositional Analysis Lab</a>, established in 2023 and housed in Rosser Hall, was created as a hub for students, faculty, and industry partners to conduct advanced compositional studies of complex chemical samples. The lab represents a continued collaboration between Cal State LA and LECO Corporation to advance chemical education and innovation in the Los Angeles region.<h4>About LECO Corporation</h4><a target="_blank" rel="noopener noreferrer" href="https://www.leco.com/products/pegasus-btx/">LECO</a> develops analytical instruments and software solutions spanning mass spectrometry, elemental analysis, and more. The Pegasus BTX represents the company’s newest evolution in GC-TOFMS technology for GC and GC×GC applications. LECO Corporation<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Cal_State_LA_A_Cal_State_LA_student_conducts_analysis_using_the_LECO_Pegasus_BTX_system_in_the_LECO_Complex_Chemical_Compositional_Analysis_Lab_0df09db6ac.jpg" alt="Cal State LA: A Cal State LA student conducts analysis using the LECO Pegasus BTX system in the LECO Complex Chemical Compositional Analysis Lab." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Cal_State_LA_A_Cal_State_LA_student_conducts_analysis_using_the_LECO_Pegasus_BTX_system_in_the_LECO_Complex_Chemical_Compositional_Analysis_Lab_0df09db6ac.jpg 223w," sizes="100vw" width="600" height="420"><blockquote><a target="_blank" rel="noopener noreferrer" href="https://www.calstatela.edu/">California State University, Los Angeles</a> is the premier comprehensive public university in the heart of Los Angeles. Cal State LA is ranked number one in the United States for the upward mobility of its students. The university is dedicated to engagement, service, and the public good, offering nationally recognized programs in science, the arts, business, criminal justice, engineering, nursing, education, and the humanities. Founded in 1947, Cal State LA serves more than 22,000 students and has more than 270,000 distinguished alumni.</blockquote>

Cal State LA and LECO enhance complex chemical analysis with new Pegasus BTX system

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 1st December 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies, Shimadzu and Thermo Fisher Scientific and presentation by LECO /MDCW!<h3>1. Agilent Technologies: Analysis of 197 Pesticides in Durian by Agilent PAL 3 Autosampler and 7000E Triple Quadrupole GC/MSD</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_197_pesticides_durian_pal3_7000e_gc_msd_5994_8702en_agilent_e5a68eaf99.pdf">Full PDF for download</a></li></ul>Pesticide residue analysis in food products is critical to ensuring consumer safety and regulatory compliance. Durian (Durio zibethinus), known as the "king of fruits" and widely exported across Southeast Asia, China, and beyond, presents unique analytical challenges due to its sulfur-rich compounds, high fat content, and complex volatile matrix. Comprehensive pesticide analysis in such matrices demands highly sensitive, selective, and robust analytical solutions. The European Union Reference Laboratories (EURL) SANTE/11312/2021 guidelines set rigorous performance criteria for pesticide residue analysis, including strict requirements for method accuracy, precision, and sensitivity.1 Laboratories need to achieve recoveries between 70% to 120%, precision (RSD) below 20%, and quantification limits at or below regulatory maximum residue limits (MRLs), even in complex food matrices such as durian. This application note demonstrates a high-performance workflow for the analysis of 197 pesticides in durian using an Agilent PAL3 Autosampler combined with an Agilent 7000E Triple Quadrupole GC/MSD system. The PAL3 Autosampler provides high-throughput, precise sample handling, while the 7000E GC/MSD offers exceptional sensitivity and reproducibility for trace-level pesticide quantification. Optimized sample preparation and instrumental conditions ensure reliable performance, meeting and exceeding SANTE criteria for method validation.<h4>Experimental</h4><h5>PAL 3 RTC and 7000E GC/TQ parameters&nbsp;</h5>The analysis parameters are shown in Table 1. The target and ISTD compound MRM parameters are listed in Appendix&nbsp;1. Figure 1 shows a typical MRM chromatogram of targeted pesticides spiked in durian at a concentration of 100 ppb.<ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=PAL+3">Agilent PAL 3 (Liquid Tool)</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890">Agilent 8890 GC</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7000E">Agilent 7000E</a></li></ul><h4>Conclusion&nbsp;</h4>This study successfully demonstrated a robust and sensitive method for the quantitative analysis of 197&nbsp;pesticides in durian using an Agilent PAL3 Autosampler combined with an Agilent&nbsp;7000E Triple Quadrupole GC/MSD system. The optimized workflow, including sample extraction with an Agilent Bond Elut QuEChERS EN kit followed by cleanup with the Highly Pigmented dSPE kit, provided excellent recovery and precision. All target pesticides showed analysis accuracy between 80% and 120% and RSD values below 10% at a spiked level of 10 ppb. The results confirm the method's suitability for routine high-throughput pesticide quantification in complex matrices such as durian. The use of matrix-matched calibration and matrix‑optimized MRMs further ensured accurate and reproducible quantitation, reinforcing the method's applicability for regulatory and food safety testing.<h3>2. LECO / MDCW: Applying statistical data processing tools for GC×GC differentiation of alternative aviation fuels</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/FL_18_Sebastiano_b4cf417f82.pdf">Full PDF for download</a></li></ul>The presentation introduces LECO’s long-standing role in separation science and its evolution from elemental analyzers to advanced mass spectrometry platforms. A key emphasis is placed on LECO’s innovations in time-of-flight mass spectrometry (TOFMS), including the Pegasus series and the new <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=Pegasus+BTX">Pegasus BTX</a>, a benchtop TOFMS offering high sensitivity, rugged detector technology, fast spectral acquisition (1–500 spectra/s), and broad mass range (10–1500 m/z). This technological foundation supports comprehensive GC×GC-MS workflows essential for analyzing chemically complex matrices such as aviation fuels.A major focus of the talk is on software tools for non-targeted data processing. LECO’s software ecosystem—<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=ChromaTOF">ChromaTOF</a>, ChromaTOF Tile, and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=ChromaTOF+Sync">ChromaTOF Sync</a>—enables detailed deconvolution, quantitation, high-resolution spectral analysis, and especially statistical comparison of GC×GC datasets. ChromaTOF Tile uses a chromatographic “tiling” strategy to link datasets and detect differences between sample groups using three statistical metrics: Fisher Ratio, Coefficient of Variation (CoV), and Fold-Change. Each metric serves a different experimental purpose, from comparing traditional vs. synthetic jet fuels (Fisher Ratio) to exploring variability among multiple alternative fuel processes (CoV), or identifying additive components in two-sample comparisons (Fold-Change).The presentation demonstrates how raw GC×GC-MS data are curated into feature tables, statistically evaluated, and visualized in PCA plots, bar charts, and chromatographic overlays. For example, Fisher Ratio comparison highlights statistically significant chemical differences between conventional Jet A and synthetic fuels, while CoV analysis reveals clustering patterns among diverse synthetic fuel production pathways such as LT-FT SPK, HT-FT SPK, HEFA, SIP, ATJ, and CHJ. These workflows enable analysts to rapidly identify biomarkers or distinguishing compositional features within highly complex hydrocarbon matrices.Ultimately, the talk demonstrates that choosing the correct statistical processing method can dramatically simplify interpretation of complex GC×GC-MS datasets. LECO’s integrated instrumentation—particularly the Pegasus BTX TOFMS—and software platforms together provide a powerful toolkit for fuel characterization, quality evaluation, and differentiation of emerging alternative aviation fuels. By combining comprehensive chromatography with robust statistical approaches, researchers can gain deeper insights into chemical variability, production signatures, and additive packages in modern aviation fuel technologies.<h3>3. Shimadzu: Analysis of Formic Acid in Acetone Using GC/MS System</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00957_en_e8b083b86e.pdf">Full PDF for download</a></li></ul>In research on artificial photosynthesis, the analysis of impurities in chemical products and raw materials has increased the demand for high-sensitivity analysis of formic acid. Previous examples of formic acid analysis using GC-BID and GC-FID (Jetanizer ) have been presented, but in this article high-sensitivity analysis of formic acid using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050">GCMS-QP2050</a> (see Fig. 1) isintroduced.<h4>Insert, Column Phosphoric Acid Treatment&nbsp;</h4>Formic acid is known to adsorb onto the injection port and column, making peak detection difficult. However, by performing phosphoric acid treatment on the glass insert and column before measurement, good peaks can be obtained. The procedure for phosphoric acid treatment of the glass insert is shown in Fig. 2, and the procedure for phosphoric acid treatment of the column isshown in Fig. 3.<h4>Conclusion&nbsp;</h4>By performing phosphoric acid treatment on the insert and column, it became possible to analyze formic acid in SIM mode down to 0.2 ppm. Furthermore, good results could be obtained for both linearity and repeatability. Additionally, by analyzing in Scan mode, identification of unknown peaks other than formic acid was also achieved.<h3>4. Thermo Fisher Scientific: Uninterrupted analysis of VOCs according to U.S. EPA Method 8260C using purge and trap and single quadrupole GC-MS technology</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_001018_gc_voc_analysis_gc_ms_epa_8260c_an001018_na_en_269857401c/an-001018-gc-voc-analysis-gc-ms-epa-8260c-an001018-na-en.pdf">Full PDF for download</a></li></ul>Volatile organic compounds, or VOCs, are human-made contaminants used and produced in the processing of, or as, paints, adhesives, petroleum products, pharmaceuticals, and refrigerants. Many of these compounds contaminate our environment and may cause negative health effects in humans and other living beings. Analytical laboratories must monitor a variety of sample types from the environment to ensure the public are not exposed to elevated levels of VOCs. The latest version of applicable method in the United States, U.S. EPA Method 8260C, is applicable when monitoring a variety of solid waste matrices for the presence of VOCs.To perform U.S. EPA Method 8260C, all method acceptance criteria must be achieved. These criteria include calculating the mean response factor and the relative standard deviation (RSD) of the response factors for target analytes. The RSD should be &lt;20%, with minimum response factors (RF) and MDLs for a wide range of target compounds. The analytical method must produce consistent results and be reproducible from day to day, with a continuing calibration verification (CCV) analyzed every 12 hours while samples are run. As the method covers varying matrices, it is important that the performance criteria are met in all samples of interest. The following evaluation describes the use of the ISQ 7610 GCMS coupled to the Atomx XYZ P&amp;T for U.S. EPA Method 8260C.<h4>Experimental</h4><h5>Instrument control and data processing&nbsp;</h5>Data were acquired, processed, and reported using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76">Chromeleon CDS software</a>, version 7.2. This software can control both the GC-MS system and the Tekmar Atomx XYZ P&amp;T. This enables a single software solution to support the full workflow, simplifying the instrument operation. The optimized method used within this application note is available for download via the Thermo Scientific™ AppsLab library. AppsLab contains all the parameters needed to acquire, process, and report the analytical data for U.S. EPA Method 8260C.2<h5>GC-MS parameters&nbsp;</h5>A <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/486">TRACE 1610 GC</a> was coupled to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484">ISQ 7610 MS </a>equipped with the Thermo Scientific™ NeverVent™ vacuum probe interlock (VPI) and an ExtractaBrite™ ion source. Expanded method parameters for the GC-MS system are displayed in Table 3<h4>Conclusion&nbsp;</h4>The combined analytical solution with the TRACE 1610 GC coupled with the ISQ 7610 system and the Atomx XYZ P&amp;T system provides clear advantages for analytical testing laboratories that analyze environmental samples following the U.S. EPA Method 8260C requirements. The modularity of the TRACE 1610 GC as well as the ISQ 7610 VPI and ExtractaBrite ion source allows users to easily service the injection ports and to exchange ionization sources and analytical columns without venting the mass spectrometer, significantly reducing instrument downtime and minimizing sample analysis interruptions. The Atomx XYZ concentrator’s efficient trap cooling design reduces sample cycle time and allows for increased sample throughput. The moisture control system improves water vapor removal thereby reducing peak interference and increasing GC column life span.&nbsp;The experiments performed clearly demonstrate the suitability of this analytical configuration for the analysis of VOCs in various environmental samples in accordance with U.S. EPA Method 8260C with the following performance parameters as evidence:&nbsp;<ul><li>The ISQ 7610 VPI coupled with the Tekmar Atomx XYZ P&amp;T exceeds all the requirements outlined in U.S. EPA Method 8260C for analysis of VOCs in wastewater and solid waste.</li><li>Linearity was achieved with &lt;20%,&nbsp;relative standard deviation for both water and soil calibration curves for the majority of compounds.&nbsp;</li><li>The MDL and precision were assessed using n=7 replicates of a 0.2 ppb water standard and n=7 replicates of a 0.5 ppb soil standard. Calculated MDLs were &lt;0.2ppb and RSDs of calculated results were &lt;10% for most compounds in both the soil and water matrices.</li><li>System robustness was tested by continuously acquiring 240 injections of environmental samples over three days with no user intervention at all. The average %RSD of the calculated concentration was 8.30% with an average compound recovery of 90%.</li></ul>

News from LabRulezGCMS Library - Week 49, 2025

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