<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 21st April 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies </strong>and<strong> Shimadzu, </strong>poster by<strong> MDCW / Mane SEA PTE </strong>and technical note by<strong> Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: Determination of Polychlorinated Biphenyl (PCB) by GC/MS According to EPA Method 1628</strong></h3><p><strong>Using an Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC"><strong>8890 GC</strong></a><strong> with an Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5977C+GC%2FMSD+"><strong>5977C GC/MSD </strong></a><strong>in selected ion monitoring (SIM) mode</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_pcbs_gcms_epa_method_1628_5994_8056en_agilent_1_dcb1461047.pdf"><strong>Full PDF for download</strong></a></li></ul><p>PCBs are synthetic compounds belonging to the chlorinated hydrocarbon family. Historically, PCBs were extensively used in various industrial applications, including electrical components, plasticizers, and pigments and dyes. However, due to their environmental persistence and potential health risks, their use was banned in 1979 under the Toxic Substances Control Act (TSCA). Classified as POPs, PCBs resist degradation and are known to bioaccumulate in aquatic life according to the EPA.1 In response to the need for effective monitoring of PCBs, the EPA has developed method 1628, which employs low-resolution mass spectrometry in SIM mode.2 This method is the first to measure all 209 individual PCB congeners, calibrating for 65 PCBs and screening for the remaining 144 congeners. The method includes 29 labeled PCB surrogates and three labeled PCBs as internal standards for analytical accuracy. In this application note, an 8890 GC with a 5977C GC/MSD was used to analyze PCBs in sand and soil, meeting all requirements for EPA method 1628.</p><h4><strong>Experimental</strong></h4><p>An 8890 GC with a 5977C GC/MSD was used for this work. The 8890 GC was configured with mid column backflush to prolong column lifetime. Detailed method parameters were set according to EPA method 1628 and are shown in Tables 1 to 3.</p><h4><strong>Results and discussion</strong></h4><p>Example chromatograms are shown in Figures 1 and 2. Figure 1 shows the separation of the 65 calibrated PCB congeners and the 32 labeled PCB congeners at 50 and 40 ppb, respectively. The analytical separation of all 209 PCB congeners and 32 labeled PCB congeners at 50 and 40 ppb is shown in Figure 2.</p><p>Per the method requirements for EPA method 1628, PCB congeners 28 and 31 must be chromatographically separated. The valley of the two peaks must be less than 80% of the height of the smaller peak, which is demonstrated in Figure 3. The method also requires that PCB congener 118 at 10 ppb has a signal to noise ratio (S/N) greater than or equal to 3:1. Figure 4 shows successfully meeting this method criteria with a S/N of 6.1 for PCB congener 118 at 10 ppb.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>An Agilent 8890 GC with an Agilent 5977C GC/MSD was successfully used to analyze PCB congeners according to EPA method 1628. This method uses low-resolution SIM mode to quantitate 65 congeners while being able to see all 209 native congeners. All method requirements were met, including for linearity, resolution, and sensitivity.</p><h3><strong>2. MDCW / Mane SEA PTE: Unraveling The Distribution and Enantiomer Ratio of Selected Carotenoid-derived Aroma Compounds In Oolong Tea Using MD-GC Coupled with MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Poster_14_13587ac212.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Carotenoid-derived compounds (CDCs) are important contributors to the xcharacteristic flavour of oolong tea. These compounds can exist in different xisomeric forms that have similar structural, physical and chemical but different sensory properties, making their differentiation difficult but important.</p><p>However, the analysis of these carotenoid-derived compounds and determination of their enantiomeric distributions in tea is challenging due to their low concentrations and wide variability. In consideration of their impact on sensory perception, these challenges faced in their detection and quantification need to be addressed</p><p><strong>OBJECTIVE:</strong> To develop and optimize two-dimensional gas chromatography methods for the detection of CDCs and investigate their enantiomer distribution in different oolong teas.</p><h4><strong>ANALYTICAL WORKFLOW</strong></h4><ul><li>Comprehensive Two-Dimensional Gas Chromatography (GCxGC)</li><li>Heart-Cutting Two-Dimensional Gas Chromatography (GC-GC)</li></ul><h4><strong>GCxGC-qTOF/MS OPTIMISATION</strong></h4><ol><li>Continuous cold jet to trap the analytes at the head of the 2D column&nbsp;</li><li>Pulsed hot jet set at a fixed interval to release the trapped analytes&nbsp;</li></ol><p><strong>Modulation period:</strong> amount of time between hot jet pulses Hot jet duration: length of time when the hot jet is turned on</p><h4><strong>Conclusion</strong></h4><ul><li>The modulation period determines the time when the compounds are allowed to separate on 2D and should be optimized to avoid wrap-around of peaks while efficiently utilizing the separation space. On the other hand, hot jet duration determines the amount of compounds entering the 2D.&nbsp;<ul><li>The optimized parameters for modulation period (14 s) and hot jet duration (350 μs) were used.&nbsp;</li></ul></li><li>MD-GC can overcome the challenges faced by conventional GC in the separation of complex tea matrices.&nbsp;<ul><li><strong>GCxGC:</strong> improves detection limit due to cryogenic trapping of the modulation step.&nbsp;</li><li><strong>GC-GC:</strong> removes interference from peaks of interest while improving quantification.&nbsp;</li></ul></li><li>Different cultivars and processing parameters result in different volatile compound compositions in oolong teas.</li></ul><h3><strong>3. Shimadzu: High-Sensitivity Analysis of Formic Acid in Methanol Solution Using Jetanizer</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_00833_en_adef055a54.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User benefits:</strong></h5><ul><li>Using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Jetanizer"><strong>Jetanizer</strong></a> as a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexis+GC-2030+FID"><strong>GC-FID</strong></a> nozzle makes it possible to accurately analyze formic acid in methanol solution.</li><li>The Jetanizersimply replaces the conventional GC-FID nozzle, making it easy to install and inexpensive.</li></ul><p>Green Transformation (GX) initiatives aim to transition from fossil fuels to green energy and balance greenhouse gas emissions reduction with economic growth. These initiatives are expected to use innovative technologies such as artificial photosynthesis, which utilizes sunlight to produce hydrogen and organic compoundsfrom water and carbon dioxide.&nbsp;</p><p>Research on such artificial photosynthesis, along with the analysis of impurities in chemical products and raw materials, highlights the demand for high-sensitivity analysis of formic acid. A simple method for analyzing formic acid is gas chromatography (GC), where a TCD detector is used for highconcentration samples, and a BID detector is used for lowconcentration samples. Unfortunately, the FID detector, a general-purpose detector, lacks sensitivity to formic acid. However, by replacing the FID detector with a Jetanizer (In-Jet type methanizer) that contains a catalyst in the FID nozzle and adjusting the analysis conditions, high-sensitivity measurement of formic acid at the ppm level becomes possible.</p><p>This Application News presents an example of the highsensitivity analysis of formic acid contained in a methanol solvent using Jetanizer as the GC-FID nozzle.</p><h4><strong>Features of the Jetanizer</strong></h4><p>The Jetanizer is a compact FID-Jet type methanizer that contains a catalyst filled inside (Fig. 1). As a result, it enables the detection of CO and CO2, which cannot be detected by a standard FID, by reducing them and converting them into methane. Additionally, the heating elements, sensors, and extra hydrogen gas supply lines previously required for methanizers are no longer necessary, allowing for direct installation and use just like a standard FID.</p><h4><strong>Measurement of Formic Acid in Methanol</strong></h4><p>The chromatograms of formic acid at various concentrations in methanol (1, 5, 10, 50, 100, 500, and 1000 ppm) and an enlarged view of the low concentration range are shown in Fig. 4. The calibration curve for N = 5 is presented in Fig. 5. Additionally, the overlaid chromatograms for continuous measurement at 10 ppm are shown in Fig. 6, and the RSD% of the area values for N = 5 at each concentration is provided in Table 2. Good reproducibility of the area was confirmed at each concentration.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>High-sensitivity analysis of formic acid is essential for the impurity analysis of chemical products and raw materials, including GX. When analyzing formic acid using GC, it is necessary to select the appropriate detector based on the measurement concentration range. The method introduced here allows for the convenient analysis of formic acid by performing phosphoric acid treatment on the insert and column and utilizing a Jetanizer.</p><h3><strong>4. Thermo Fisher Scientific: What is the benefit of high mass resolving power on the Orbitrap Exploris GC Series?</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sl_003312_gc_hram_orbitrap_exploris_240_targeted_gc_sl003312_na_en_8f86e0d919.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Why do I need high mass resolving power from Orbitrap technology?</strong>&nbsp;</h4><ul><li>Resolve target analytes from interfering compounds and matrix ions of similar mass.&nbsp;</li><li>Achieve sub-ppm mass accuracy to give data certainty in compound identification.&nbsp;</li><li>Sub-ppm mass accuracy enables narrow mass extraction windows (± 5 ppm) to give high selectivity, which in turn makes peak detection algorithms efficient.&nbsp;</li><li>Easily increase scope of analysis through full scan accurate mass data acquisition (Figure 1).&nbsp;</li><li>Quickly and confidently propose elemental compositions for the identification of unknown features.&nbsp;</li><li>Retrospective data processing of samples long after data acquisition.&nbsp;</li><li>Have high mass resolving power and sensitivity. No compromise.&nbsp;</li></ul><p>With resolving power of up to 240,000 and consistent sub-ppm mass accuracy, the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Thermo Scientific™ Orbitrap Exploris™ GC 240 mass spectrometer </strong></a>is a unique laboratory tool for targeted and discovery workflows, where screening, quantitation, compound identification, and structural elucidation applications are required.&nbsp;</p><p>High-resolution Orbitrap mass spectrometry has been available with both liquid and gas chromatography for many years and has proven to be a highly valuable analytical technique.1-4 More recently, the technology in gas chromatography moved to join the Thermo Scientific Orbitrap Exploris Mass Spectrometer series. This new platform of a benchtop hybrid quadrupoleOrbitrap mass spectrometer opens up research opportunities in a system with a significantly reduced footprint, saving both energy and raw materials. The benchtop hybrid quadrupole-Orbitrap mass spectrometer provides new possibilities for increased mass accuracy, sensitivity, and selectivity for GC-amenable compounds. Figure 2 shows how the resolving power is in the ideal range for volatile small molecules, with resolving power increasing with lowering <i>m</i>/<i>z.</i></p><h4><strong>The impact of mass resolution on selectivity for targeted analysis&nbsp;</strong></h4><p>High-resolution, accurate-mass (HR/AM) experiments typically provide a full scan analysis of a sample, and for small molecule analyses, the scan range is typically 50–600 Da. Orbitrap technology provides the required selectivity to resolve the target compound from other compounds or from matrix ions of similar mass. For targeted compound analysis, the accurate mass of the diagnostic ion is extracted with a narrow mass extraction window (typically &lt; 5 ppm). This narrow window is possible only when the instrument provides sufficient mass accuracy, for which high mass resolving power is essential. However, when two mass profiles overlap, the measured mass profile is the sum of the two individual profiles. This overlap results in the incorrect assignment of the mass of the target compound. The problem is demonstrated in Figure 3, where a QuEChERS leek extract in acetonitrile was analyzed four times at resolving powers of 15K, 30K, 60K, and 120K (m/z 200).&nbsp;</p><p>Being able to separate two compounds that are close in mass is one of the significant advantages of high-resolution accurate mass. This is demonstrated in Figures 4A-C where the compounds flurenol methyl ester C<sub>15</sub>H<sub>12</sub>O<sub>3</sub> m/z = 240.0781 and dimetilan C<sub>10</sub>H<sub>16</sub>N<sub>4</sub>O<sub>3</sub> m/z = 240.1217 were analyzed at equal intensity at three different resolving power levels of 30,000, 60,000, and 240,000. The zoomed spectra show excellent separation at all resolution levels, with improvements at 60K and 240K showing the clear benefits. When analyzed at 10:1 ratio (Figure 5), there is still good separation and mass accuracy. The latter reflects the real world where compounds will be at varying intensities, and it is essential that mass accuracy is maintained to make confident identifications.</p>

News from LabRulezGCMS Library - Week 17, 2025

PFAS emissions from functional textiles using micro-chamber and thermal desorption coupled to two-dimensional gas chromatography-time of flight mass spectrometry (TD-GC×GC-TOF MS)

<p><strong>In the week from April 21, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Agilent Technologies: Mineral Identification and Phase Mapping of Geologic Samples Using Agilent 8700 Laser Direct Infrared Chemical Imaging System</strong></h5><ul><li>Thursday, April 24, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4924">Registration</a></li></ul><p>Join our webinar and learn about the Agilent 8700 Laser Direct Infrared (LDIR) chemical imaging system, which enables the rapid collection of hyperspectral data in the mid-infrared (mid-IR) fingerprint region.</p><h5><strong>2. Agilent Technologies: Embracing ICH Q14 Guidelines for Analytical Procedures</strong></h5><ul><li>Thursday, April 24, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4874">Registration</a></li></ul><p>This presentation will cover the latest regulations in analytical development, focusing on ICHQ14, with an overview of new standards and guidelines professionals will need to follow.</p><h5><strong>3. Waters Corporation: Empower Tips: Ask Me Anything About Using CDS Data Analytics to Address Data Integrity Challenges</strong></h5><ul><li>Thursday, April 24, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4898">Registration</a></li></ul><p>In this webinar, our resident Empower Software expert Neil Lander is joined by guest Donald Preiss, who will provide insights into how the team at MannKind have overcome their data integrity challenges.</p><h5><strong>4. Agilent Technologies: Decoding Detectors: Advanced Insights into Gas Chromatography Detectors, Column Installation, Optimization and Troubleshooting</strong></h5><ul><li>Wednesday, April 23, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4516">Registration</a></li></ul><p>We will cover the various types of detectors, including FID, TCD, ECD, and MS detectors, discussing their strengths and applications.</p><h5><strong>5. SelectScience/Thermo Fisher Scientific: Unleash innovation with Thermo Scientific Momentum Workflow Automation Suite: From discovery to regulatory success</strong></h5><ul><li>Wednesday, April 23, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5019">Registration</a></li></ul><p>Join Thermo Fisher Scientific lab automation experts and leading industry partners for an exclusive webinar exploring the transformative power of the Thermo Scientific™ Momentum™ Workflow Automation suite.</p><h5><strong>6. LECO: Using GCxGC and Data Analysis Tools for Aroma, Flavor, and Fragrance Samples</strong></h5><ul><li>Wednesday, April 23, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4945">Registration</a></li></ul><p>This webinar will discuss some of the key characteristics of each software tool (ChromaTOF, ChromaTOF Tile, and ChromaTOF Sync 2D).</p><h5><strong>7. Agilent Technologies: Fumigant Residues in Food: Addressing the Growing Problem</strong></h5><ul><li>Wednesday, April 23, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5020">Registration</a></li></ul><p>In this webinar, experts will discuss why fumigants testing matters, how it is done, and what labs can do to stay ready.</p><h5><strong>8. Agilent Technologies: Optimize Deconvolution Parameters to Reduce False Negatives</strong></h5><ul><li>Tuesday, April 22, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4961">Registration</a></li></ul><p>Join this webinar and learn how to demystify the user definable parameters in the MassHunter Data Analysis software.</p><h5><strong>9. Shimadzu Corporation: Living Laboratory Unleashed: Your Gateway To Complete DX Capabilities</strong></h5><ul><li>Tuesday, April 22, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5016">Registration</a></li></ul><p>Join us today and experience seamless connectivity, AI-powered capabilities, and paperless workflows—all designed to simplify and optimize various aspects of your lab operations.</p><h5><strong>10. PerkinElmer: From Lab to Light: Characterizing Advanced Materials for Solar Breakthroughs</strong></h5><ul><li>Monday, April 21, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5090">Registration</a></li></ul><p>PerkinElmer explores how advanced materials and analytical tech are driving innovation in renewable energy. Learn how solar and other markets benefit from these breakthroughs.</p>

Webinars LabRulezGCMS Week 17/2025

<p><strong>In the week from April 28, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Mettler-Toledo: Calibration and Qualification in Accordance with GMP Requirements</strong></h5><ul><li>Tuesday, April 29, 2025, 10:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4652">Registration</a></li></ul><p>This webinar explains what calibration and qualification of weighing instruments are and why these related concepts are important for Good Manufacturing Practice.</p><h5><strong>2. C&amp;EN/Agilent Technologies: Navigating Global Regulatory Frameworks for Microplastic Analysis in Drinking Water Using Vibrational Spectroscopy</strong></h5><ul><li>Tuesday, April 29, 2025, 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4947">Registration</a></li></ul><p>With reference to the Agilent 8700 LDIR, we will explore methodologies for microplastics analysis and how fast and automated IR analysis of microplastics can assist.</p><h5><strong>3. Thermo Fisher Scientific: Analysis of Pesticides utilizing the TSQ 9610 GC-MS/MS triple quadrupole</strong></h5><ul><li>Tuesday, April 29, 2025, 18:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4934">Registration</a></li></ul><p>The TSQ 9610 GC-MS/MS product line is ideally suited for pesticide analysis, offering distinct advantages in analyzing GC-amenable pesticides across various sample types.</p><h5><strong>4. Agilent Technologies: Multi-Residue Pesticide Analysis in Food: Regulations and Analytical Approaches</strong></h5><ul><li>Wednesday, May 7, 2025, 19:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5081">Registration</a></li></ul><p>In this webinar, we will discuss recent regulatory developments for pesticide residue analysis relevant to India and the South Asia-Pacific region.</p><h5><strong>5. Thermo Fisher Scientific: Migration and Update of the Chromatography Data System</strong></h5><ul><li>Thursday, May 8, 2025, 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4829">Registration</a></li></ul><p>In this webinar, we will discuss the necessity of regular updates for the Thermo Scientific Chromeleon software, as well as the transition to newer operating systems or database platforms.</p><h5><strong>6. Technology Networks/Agilent Technologies: The Role of Mass Spectrometry in Advancing Space Science</strong></h5><ul><li>Thursday, May 8, 2025, 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4950">Registration</a></li></ul><p>In this webinar, our expert speaker will discuss how mass spectrometry contributes to key areas of space science, including soil and environmental sample analysis.</p><h5><strong>7. Agilent Technologies: Using the Analytical Target Profile (ATP) for Efficient Procedure Lifecycle Management</strong></h5><ul><li>Thursday, May 8, 2025, 19:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4876">Registration</a></li></ul><p>This presentation will explore ATP's key role in determining analytical procedure and performance criteria, guiding procedure design, validation, and ensuring continuous improvement.</p><h5><strong>8. Agilent Technologies: Surfactant analysis by FTIR in cleaning products</strong></h5><ul><li>Thursday, May 8, 2025, 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5044">Registration</a></li></ul><p>This seminar covers how to identify and quantify actives and raw materials in cleaning products and quickly assess material quality using FTIR technology.</p>

Webinars LabRulezGCMS Week 18-19/2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 28th April 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application note by <strong>Agilent Technologies, </strong>poster by<strong> MDCW / UCT Prague </strong>and technical note by<strong> Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: Group-Type Analysis of Jet Fuel Using the Agilent Flow-Modulated GC×GC-FID</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_jet_fuel_flow_modulated_gc_gc_fid_5994_7775en_agilent_6f7cf01d29.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Jet fuel, also known as aviation kerosene and aviation turbine fuel, is a petroleum product primarily used as fuel for aircraft turbine engines. Characterizing the composition of jet fuel is essential for ensuring safe and efficient aircraft operation and for maintaining the high performance and reliability standards the aviation industry requires. This type of analysis also has significant practical importance for understanding the fuel production process and evaluating catalyst performance and lifetime. The aromatic hydrocarbon content of jet fuel is a crucial quality indicator and is subject to global regulations.&nbsp;</p><p>However, the number of unique hydrocarbon structural isomers in jet fuel exceeds the selectivity of conventional one-dimensional chromatographic and spectroscopic methods, which cannot provide the necessary hydrocarbon composition and carbon number distribution information. Comprehensive GC×GC has a number of advantages over conventional chromatographic techniques, such as enhanced resolution, peak capacity, sensitivity, and a highly ordered and structured separation pattern. The analysis procedure of such petroleum products can be significantly simplified, since GC×GC allows direct injection without the need for sample pretreatment. Additionally, the analysis of such petroleum products by GC×GC does not require any sample preparation or pretreatment, making it an attractive method for quality control laboratories.&nbsp;</p><p>This application note establishes a group-type quantification method for jet fuel according to China's NB/SH/T 6078-2023 standard1 using the Agilent 8890 reverse fill/flush flow-modulated GC×GC-FID system.2–4 The Agilent reverse flow modulator (RFM) is a differential flow modulator. It is based on the Agilent Capillary Flow Technology (CFT) and fractionates the carrier gas by simply directing the carrier gas flow. The system requires no additional footprint (since the modulator is installed within the GC oven), has no moving parts, is cost-effective, robust, and yields highly reproducible results. The system is particularly suited to analyzing middle petroleum distillates like jet fuel, because these mixtures typically have a well-defined beginning and end of elution in GC separations. This application note determined the relative abundance of 1-ring aromatics, 2-ring aromatics, and homologous aromatic series by carbon number in real jet fuel samples. The repeatability, linearity, and quantitative precision of the system was also evaluated.</p><h4><strong>Experimental</strong></h4><h5><strong>Instrumentation</strong></h5><p>An <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=2&amp;mainauthorItems=10&amp;search=8890+GC"><strong>8890 GC×GC-FID</strong></a> system with a split/splitless inlet and a reverse fill/flush RFM were used with the configurations listed in Table 1. Three different column sets were evaluated.</p><h4><strong>Results and discussion&nbsp;</strong></h4><h5><strong>Repeatability</strong></h5><p>RT stability is a critical characteristic for GC×GC-FID analysis, as peak identification relies on their position in the 2D chromatogram. The flow modulator, which does not involve any moving parts or cold/hot jets, achieves modulation by controlling the flow direction through a collection channel using an electronic pressure control module. By controlling the modulation process using the Agilent sixth-generation electronic pneumatics control technology, exceptionally stable RTs were achieved. Table 2 presents the primary retention time (1 RT) and secondary retention time (2 RT) data of various common aromatic species identified in jet fuel (n = 10). The 1 RT remains almost constant. The %RSD of 2 RT is less than 0.27% for all compounds, and near 0.0000% for most. The exceptional RT stability allows the user to generate a data template and use it for peak identification routinely without much concern about mismatch. The FID response in a GC×GC-FID system is also highly repeatable; the absolute area %RSD of each identified blob was typically below 2%, except in cases of very low concentrations such as benzene at 0.0033% mass, where it reached 2.95%. The normalized area %RSD is mostly below 1%, with a few exceptions falling between 1 and 3%.</p><h4><strong>Conclusion</strong></h4><p>The Agilent RFM flow-modulated GC×GC-FID system has been successfully applied to the group-type analysis of jet fuel. This system has proven it can provide high repeatability (both retention time and response), sensitivity, robustness, and quantitative precision. The exceptional retention time stability and precision in quantitation facilitate the ease of using the RFM for routine peak identification and quantitation. GC×GC-FID is a powerful tool that provides routine compositional analysis to further standardize jet fuel product quality.</p><h3><strong>2. MDCW / UCT Prague: Challenges in data processing and evaluation of scent samples analysed by GCxGC-TOF</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P22_Jana_Cechova_MDCW_Liege_2025_ac16733581.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The aim of this contribution is to summarize the methods and procedures used in processing data obtained from the analyses of scent samples. The poster also demonstrates problems with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=ChromaTOF"><strong>ChromaTOF</strong></a> software in processing raw data (version 5.51.06.0 and 5.55.41_BT by Leco).</p><h4><strong>Data evaluation</strong></h4><p><strong>Three types of approaches:&nbsp;</strong></p><p>1) DA_2DCHROM [3] - automatic data alignment, anchor points not successful on such dense data&nbsp;</p><p>2) Kovats indexes – 15 manually selected peaks as references in each chromatogram, retention indexes calculation for all other peaks&nbsp;</p><ul><li>semi-automatic, not always successful, slightly subjective according to the person&nbsp;</li><li><strong>OUR CHOICE FOR MOST EXPERIMENTS&nbsp;</strong></li></ul><p>3) Target peaks – manually selected peaks (up to 300 per chromatogram)&nbsp;</p><ul><li>successful, but very time-consuming, subjective&nbsp;</li><li><strong>USEFUL FOR CERTAIN EXPERIMENTS</strong></li></ul><h4><strong>Material and methods</strong></h4><p>According to the methodology [1], samples were collected from a volunteer palms using glass beads (3.6 mm; cleaned before sampling). Samples were then extracted into ethanol and evaporated. The extracts were dissolved in 70 µl of ethanol and analysed by comprehensive gas chromatography (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=BT-4D"><strong>GC×GC-MS, BT-4D</strong></a>, Leco). [2]</p><h4><strong>Conclusions</strong></h4><p>Data evaluation types 2 and 3 are unsuccessful for data acquired from the BT-4D GC×GC-MS. Evaluating repeatability when using a mixture of standards is not possible even when using the target approach (this could be done on a version for 4D-C type).</p><h3><strong>3. Thermo Fisher Scientific: Grant application resource: Using the </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Orbitrap Exploris GC</strong></a><strong> 240 mass spectrometer to accelerate research</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/wp_003116_gc_hram_orbitrap_exploris_gc_240_solution_wp003116_na_en_310e55f573.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Scientific research laboratories need to obtain confident results while maintaining the highest levels of accuracy and confidence. For many researchers, it is critical to have the flexibility and analytical power to tackle a diverse range of analytical challenges to gain a comprehensive understanding of their samples. Most of these laboratories rely on both targeted and untargeted analytical approaches, using both gas chromatography and liquid chromatography coupled to single quadrupole or triple quadrupole mass spectrometry (MS) instrumentation. These systems cover the wide range of chemical classes to be detected but provide only limited information for discovery workflows. For targeted applications, they are limited to detect only those compounds in the target list, and they require careful optimization of acquisition parameters for each compound.&nbsp;</p><p><strong>High-resolution, full scan mass spectrometry using Orbitrap technology provides a solution to:</strong></p><ul><li>Detection and quantification of an increasing number of compounds&nbsp;</li><li>Identification and elucidation of the chemical composition and structure of unknown compounds&nbsp;</li><li>Retrospective analysis of samples long after data acquisition&nbsp;</li></ul><p>High-resolution Orbitrap mass spectrometry has been available with both liquid and gas chromatography for many years and has proven to be a highly valuable analytical technique. More recently, the technology in gas chromatography moved to join the Thermo Scientific Orbitrap Exploris Mass Spectrometer series. This new platform of a benchtop hybrid quadrupole-Orbitrap mass spectrometer opens up new research opportunities in a system with significantly reduced footprint, saving both energy and raw materials in their manufacture.</p><p>High-resolution Orbitrap mass spectrometry has proven to be a highly valuable analytical technique for both analytical science and scientific research applications. 1-3 Orbitrap mass spectrometry technology coupled to gas chromatography (GC) has evolved with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Orbitrap Exploris GC 240 mass spectrometer system</strong></a> (Figure 1), which delivers a maximum resolving power of 240,000 (FWHM at m/z 200), in a compact design and with intelligent informatic solutions. Researchers gain the ability to have the right answers the first time and the flexibility to adapt to ever changing needs from superior mass accuracy, dynamic range, and robustness.</p><p>This quadrupole Orbitrap mass spectrometer opens new possibilities for increased mass accuracy, sensitivity, and selectivity for GC-amenable compounds. The detailed examples described in this white paper highlight the benefits of highresolution MS coupled to GC for the confident detection of both known and unknown compounds in targeted and untargeted workflows. Figure 2 shows the different analytical approaches to increase scope of analysis through full scan high-resolution, accurate-mass data from a targeted list of analytes to screening and unknowns compound identification.</p><p>Here, we highlight how next generation technologies in mass spectrometry hardware and software innovations detailed in Figure 3 and Table 1 achieve increased sensitivity and selectivity on the Orbitrap Exploris GC 240 system.</p><h4><strong>Additional features for research applications:&nbsp;</strong></h4><ul><li>Thermo Scientific™ ExtractaBrite™ Electron Ionization (EI) source&nbsp;</li><li>Ion source includes ion volume, repeller, source lenses, RF lens, and dual filaments in all ionization modes, programmable from 50 ˚C to 350 ˚C&nbsp;</li><li>VeV tuning allows optimized low electron energy acquisition down to 8 eV&nbsp;</li><li>Chemical ionization (CI) source for acquisition with positive ion chemical ionization (PCI) and negative ion chemical ionization (NCI)&nbsp;</li><li>Entire ion source can be removed or changed to a CI source in under 2 minutes without venting&nbsp;</li><li>Vent-free column exchange with patented source plug combination EI/PCI/NCI ion volume can be used without the need for source interchange</li></ul><h4><strong>Conclusions&nbsp;</strong></h4><ul><li>With unprecedented resolving power of 240,000 and consistent sub-ppm mass accuracy, the Orbitrap Exploris GC 240 mass spectrometer is a unique laboratory tool for targeted and discovery workflows, where screening, quantitation, compound identification, and structural elucidation applications are required.&nbsp;</li><li>The Orbitrap Exploris GC 240 mass spectrometer provides selectivity to resolve target compounds from other interfering compounds and/or from matrix ions of similar mass, which is essential for the compound confirmation in targeted or untargeted experiments. As an example, a mass resolving power of 240,000 (corresponding to a mass resolution of 230,000 at m/z 167.08113) is needed to separate bifenthrin from the background interfering ions in a soil sample extract.&nbsp;</li><li>High sensitivity is maintained across all resolving power settings, ensuring unmatched analytical performance irrespective of matrix complexity and providing limits of detection of ppt levels.&nbsp;</li><li>Excellent sub-ppm mass accuracy accelerates the identification of elemental composition and compound identification in unknown workflows by allowing the use of narrow mass tolerances.&nbsp;</li><li>Availability of soft chemical ionization, such as PCI coupled with MS/MS, allows for structural elucidation and confirmation of parent molecules using accurate mass information.</li></ul>

News from LabRulezGCMS Library - Week 18, 2025

SPME-GC–MS and chemometrics for coffee characterization, classification and authentication

News from LabRulezGCMS Library - Week 19, 2025

<p><strong>The goal of this study was to develop and validate a sensitive and reliable analytical method for determining selected hydroxy derivatives of polycyclic aromatic hydrocarbons (OH-PAHs) in wastewater using gas chromatography-ion trap mass spectrometry (GC-ITQ-MS). Given the toxicological significance of OH-PAHs, the research aimed to optimize each stage of the analytical workflow—from extraction and derivatization to detection.</strong></p><p>The method was tailored to environmental samples and validated on real wastewater from the Płaszów treatment plant in Krakow. It enabled accurate quantification of OH-PAHs at nanogram-per-liter levels and also included a stability assessment of these compounds in the aqueous phase, revealing substantial degradation within hours.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176"><strong>Development of GC-ITQ-MS chromatographic system for the identification of hydroxy derivatives of polycyclic aromatic hydrocarbons in wastewater</strong></a></h4><p>Justyna Pamuła, Elżbieta Sochacka-Tatara, Katarzyna Styszko&nbsp;</p><p>Journal of Chromatography A, Volume 1752, 2025, 465969</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1016/j.chroma.2025.465969">https://doi.org/10.1016/j.chroma.2025.465969</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><p>Humans have a significant impact on both the animate and inanimate nature, with consequences that include loss of biodiversity, climate change, urbanization, industrial development, and environmental pollution. Human activities continuously contribute to the release of increasing amounts of pollutants into the environment. The growing number of chemical compounds poses a threat to natural ecosystems and, more importantly, to human health and life [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0001"><span>1</span></a>]. Among these pollutants are polycyclic aromatic hydrocarbons (PAHs). Incomplete combustion processes are the primary source of PAHs emissions into the environment [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0002"><span>2</span></a>]. Research by global scientists indicates that the total estimated global emission of PAHs into the atmosphere comes from biofuels (56.7 %), with forest fires contributing 17.0 %. Other significant sources include the use of consumer products (6.9 %), car exhaust fumes (4.8 %), and combustion of household coal (3.7 %). Industrial activities contribute &lt;10 % of global PAH emissions, with coke production being the largest industrial source at 3.6 %. In particular, the volume of PAH emissions is positively correlated with gross domestic product (GDP) and negatively with average income [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0003"><span>3</span></a>]. Globally, biofuel combustion is the main source of PAHs, especially in countries with low GDP per capita such as India and China, where straw and wood are burnt for heat energy in rural areas [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0004"><span>4</span></a>]. In urbanized areas, PAHs are primarily emitted from automobile exhaust fumes and industrial activities [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0005"><span>5</span></a>].</p><p>PAHs are present in all elements of the environment: water, soil, air, and food, allowing them to easily enter the human body [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0002"><span>2</span></a>,<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0006"><span>6</span></a>]. PAHs have been an important focus in environmental pollution research for many years due to some being highly carcinogenic or mutagenic [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0007"><span>7</span></a>]. According to the International Agency for Research on Cancer (IARC), the most hazardous of the unsubstituted PAHs is benzo(a)pyrene, the only PAH classified as a group 1 human carcinogen [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0008"><span>8</span></a>]. Consequently, benzo(a)pyrene is commonly analyzed in the environment as a marker of carcinogenic risk associated with PAHs.</p><p>PAHs are ubiquitous in the environment, leading to human exposure through skin contact, food ingestion, and inhalation [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0002"><span>2</span></a>,<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0009"><span>9</span></a>] Once in the body, PAHs are transported through the bloodstream to tissues and organs. Due to their lipophilicity, they accumulate in adipose tissue, with their metabolism occurring mainly in the liver and bile ducts. PAH metabolites in the form of hydroxy derivatives (OH-PAHs) are excreted from the body within a few days [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0010"><span>10</span></a>]. OH-PAHs with lower molecular weight (fewer than four benzene rings) are excreted primarily in urine, while those with higher molecular weight (four or more rings) are mainly excreted primarily through bile and feces [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0011"><span>11</span></a>]. PAH metabolites are used as biomarkers of PAH exposure [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0012"><span>12</span></a>]. There is a need for improved sample preparation techniques that enable more efficient extraction of OH-PAH from the sample matrix. Innovative methods are proposed, including thin-film SPME membranes using polydimethylsiloxane (PDMS) in combination with Ordered Mesoporous Carbon [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0013"><span>13</span></a>], electromembrane extraction [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0014"><span>14</span></a>], or magnetic sorption on Fe<sub>3</sub>O<sub>4</sub>@HCP-BA, a magnetic composite consisting of magnetite (Fe<sub>3</sub>O<sub>4</sub>) and hyper-cross-linked boronic acid polymer (HCP-BA) [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0015"><span>15</span></a>].</p><p>OH-PAHs have the potential to be more dangerous to living organisms than their parent compounds [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0012"><span>12</span></a>]. Despite the potential risk of OH-PAHs, there is limited research on their occurrence in the environment. Selected OH-PAHs have been determined in lake water [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0016"><span>16</span></a>], surface soil [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0017"><span>17</span></a>], and air particulates [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0018"><span>18</span></a>]. The only available study on OH-PAH concentration levels in wastewater is by Pojan and Marcomini, which used liquid chromatography coupled with a mass spectrometer [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0019"><span>19</span></a>].</p><p>This research aimed to develop and validate a methodology for determining selected hydroxy derivatives of PAHs in wastewater using gas chromatography coupled with a mass spectrometer. Using the analytical method, the stability of these compounds in the sewage matrix was assessed, and preliminary tests were conducted on municipal sewage to determine the concentrations of OH-PAHs. Additionally, the research investigated the stability of selected OH-PAHs in wastewater.</p><h4><strong>2. Experimental</strong></h4><h5><strong>2.3. Instrumentation</strong></h5><p>The gas chromatograph coupled with a mass spectrometer (GC-ITQ-MS) used was a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=TRACE+1310"><strong>TRACE 1310</strong></a> Thermo Scientific gas chromatograph equipped with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1747"><strong>Thermo Scientific TG-SQC capillary chromatographic colum</strong></a>n, 30 m in length, with an internal diameter of 0.25 mm, and a film thickness of 0.25 µm (filled with 5 % phenyl and 95 % methylpolysiloxane). The setup also included an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=ITQ+900"><strong>ITQ 900</strong></a> Thermo Scientific ion trap mass spectrometer and a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/422"><strong>Tri Plus RSH Thermo Scientific autosampler</strong></a>. The identification of hydroxy derivatives of PAHs was enabled by the mass spectrometer. Destructive ionization of molecules was achieved using an EI energy of 70 eV. A single standard was subjected, after derivatization, to multiple analyzes in the SCAN detector mode, allowing the scanning of the entire mass spectrum range from 50 to 500 <i>m/z</i>. This enabled the determination of spectra for the compounds studied, which had been converted into volatile derivatives using BSTFA and MTBSTFA. Subsequently, optimal column operating conditions were selected to allow for the chromatographic separation of the OH-PAHs mixture.</p><h4><strong>3. Result and discussion</strong></h4><h5><strong>3.2. Selection of chromatographic separation parameters</strong></h5><p>The separation of compounds on a chromatographic column is determined by the operating conditions of the column. The selection of the appropriate chromatography temperature depends on the boiling points of the components of the mixture being separated [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0023"><span>23</span></a>]. According to <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#tbl0001"><span>Table 1</span></a>, the range of boiling points of the compounds is 105 °C. In such cases, isothermal chromatography does not produce the desired results, leading to asymmetric, broad, and asymmetric peaks. Therefore, the column temperature programming is used. This involves maintaining a constant temperature for a certain period, then increasing it at a preset rate, and maintaining the new temperature for a specified duration.</p><p>The development of optimal chromatographic separation began with the introduction of GC operating parameters presented in the work of Campo and colleagues [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0024"><span>24</span></a>]. The authors identified 12 hydroxy derivatives of PAHs in urine samples, including all those that were the subjects of the current investigation. However, the obtained chromatogram was not satisfactory, prompting the development of a new separation method for two derivatization reagents, BSTFA and MTBSTFA. The exact operating parameters of the GC are presented in Table A.1., in the appendices.</p><div><p>The analytical method was developed to enable qualitative and quantitative determination of hydroxy derivatives of PAHs in sewage. Real sewage is a mixture of many dissolved chemical compounds, which, when analyzed using GC-ITQ-MS, cause significant noise in the chromatogram. Given the high noise level when the analysis in SCAN mode, it was decided to develop a selective ion monitoring (SIM) method. This detector operating mode allows recording the current intensity only for selected ions with characteristic masses. The SIM method is particularly useful when a given compound is present in small amounts and when the matrix effect is significant, resulting in a reduced detection sensitivity. Based on the information in <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#tbl0002"><span>Table 2</span></a> and the retention times of individual compounds, three time intervals were introduced during ion monitoring, increasing the sensitivity of the method. <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#fig0001"><span>Fig. 1</span></a> shows chromatograms for wastewater enriched with standard solutions of selected OH-PAHs at a concentration of 3 µg/ml using the MTBSTFA derivatizer.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Journal_of_Chromatography_A_Volume_1752_2025_465969_Fig_1_Chromatograms_for_wastewater_enriched_with_OH_PAH_standards_for_the_SIM_method_using_the_MTBSTFA_derivatization_reagent_67d468ce41.jpg" alt="Journal of Chromatography A, Volume 1752, 2025, 465969: Fig. 1. Chromatograms for wastewater enriched with OH-PAH standards for the SIM method using the MTBSTFA derivatization reagent." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Journal_of_Chromatography_A_Volume_1752_2025_465969_Fig_1_Chromatograms_for_wastewater_enriched_with_OH_PAH_standards_for_the_SIM_method_using_the_MTBSTFA_derivatization_reagent_67d468ce41.jpg 245w," sizes="100vw" width="2667" height="1601"></p><h4><strong>4. Conclusion</strong></h4><p>In this study, a GC-ITQ-MS-based method was developed and validated for the determination of selected hydroxy derivatives of polycyclic aromatic hydrocarbons (OH-PAHs) in wastewater. The method was optimized for solid-phase extraction (SPE) and derivatization, ensuring high recoveries and selectivity. The results confirmed that MTBSTFA is an effective derivatization reagent for all analyzed OH-PAHs, with optimized reaction conditions enhancing sensitivity. The method was successfully applied to real wastewater samples, identifying OH-PAHs in concentrations ranging from several to several hundred ng/L.</p><div><p>A comparative analysis with the HPLC-MS method of Pojana and Marcomini [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#bib0019"><span>19</span></a>] revealed key differences in analytical performance (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S0021967325003176#tbl0005"><span>Table 5</span></a>). GC-ITQ-MS demonstrated superior sensitivity (lower LOD and LOQ values) and selectivity due to the derivatization step and the use of Selective Ion Monitoring (SIM) mode. Additionally, the method allowed for the detection of a broader range of OH-PAHs in real wastewater samples. In contrast, HPLC-MS provided a simplified workflow by eliminating the need for derivatization, though at the cost of higher detection limits and a narrower range of detectable OH-PAHs.</p><p>An important aspect of this research was the assessment of OH-PAH stability in wastewater, which highlighted significant degradation within the first few hours after sampling. These findings underscore the importance of immediate sample processing and appropriate storage conditions to prevent data distortion.</p><p>The developed GC-ITQ-MS method offers a robust and sensitive tool for OH-PAH monitoring, significantly contributing to environmental analytical chemistry. Given the potential health and ecological risks posed by OH-PAHs, further research should focus on their behavior in wastewater treatment processes and their environmental fate. This work provides a solid foundation for future studies on OH-PAHs and their impact on aquatic ecosystems.</p></div></div>

Development of GC-ITQ-MS chromatographic system for the identification of hydroxy derivatives of polycyclic aromatic hydrocarbons in wastewater

<p><strong>In the week from May 5, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Thermo Fisher Scientific: Food Integrity: Strategies to Ensure Authenticity and Combat Fraud</strong></h5><ul><li>Wednesday, May 7, 2025, 15:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5095">Registration</a></li></ul><p>Gain insights into the pressing challenges of food fraud and authenticity and discover the latest tools and technologies in food authenticity testing.</p><h5><strong>2. Agilent Technologies: Multi-Residue Pesticide Analysis in Food: Regulations and Analytical Approaches</strong></h5><ul><li>Wednesday, May 7, 2025, 19:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5081">Registration</a></li></ul><p>In this webinar, we will discuss recent regulatory developments for pesticide residue analysis relevant to India and the South Asia-Pacific region.</p><h5><strong>3. Thermo Fisher Scientific: Migration and Update of the Chromatography Data System</strong></h5><ul><li>Thursday, May 8, 2025, 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4829">Registration</a></li></ul><p>In this webinar, we will discuss the necessity of regular updates for the Thermo Scientific Chromeleon software, as well as the transition to newer operating systems or database platforms.</p><h5><strong>4. Technology Networks/Agilent Technologies: The Role of Mass Spectrometry in Advancing Space Science</strong></h5><ul><li>Thursday, May 8, 2025, 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4950">Registration</a></li></ul><p>In this webinar, our expert speaker will discuss how mass spectrometry contributes to key areas of space science, including soil and environmental sample analysis.</p><h5><strong>5. Agilent Technologies: Using the Analytical Target Profile (ATP) for Efficient Procedure Lifecycle Management</strong></h5><ul><li>Thursday, May 8, 2025, 19:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4876">Registration</a></li></ul><p>This presentation will explore ATP's key role in determining analytical procedure and performance criteria, guiding procedure design, validation, and ensuring continuous improvement.</p><h5><strong>6. Agilent Technologies: Surfactant analysis by FTIR in cleaning products</strong></h5><ul><li>Thursday, May 8, 2025, 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5044">Registration</a></li></ul><p>This seminar covers how to identify and quantify actives and raw materials in cleaning products and quickly assess material quality using FTIR technology.</p>

Webinars LabRulezGCMS Week 19/2025

<p><strong>In the week from May 12, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Bruker: Enhancing Quality Control in Food and Feed Production</strong></h5><ul><li>Wednesday, May 14, 2025, 09:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5027">Registration</a></li></ul><p>Join us for an insightful online seminar where BRUKER and RETSCH will explore comprehensive QC solutions for food and feed production.</p><h5><strong>2. Waters Corporation: 8th Annual Swiss BASF and Waters Workshop on Extractables and Leachables/Food Contact Materials</strong></h5><ul><li>Thursday, May 15, 2025, 09:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4772">Registration</a></li></ul><p>Waters AG and BASF Schweiz AG have the pleasure to invite you to the Annual Swiss Networking Workshop on Extractables and Leachables/Food Contact Materials.</p><h5><strong>3. Wiley: Navigating the Challenges of Contaminants: Advanced Solutions and Insights on Microplastics and PFAS</strong></h5><ul><li>Thursday, May 15, 2025, 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5102">Registration</a></li></ul><p>Join us to explore key challenges of emerging contaminants like microplastics and PFAS. Discover advanced solutions for compliance and safety in water analysis and environmental monitoring.</p><h5><strong>4. LECO: GCxGC-MS: The Gold Standard Approach for Fragrance Allergens Analysis</strong></h5><ul><li>Thursday, May 15, 2025, 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4952">Registration</a></li></ul><p>This webinar will showcase how comprehensive two-dimensional gas chromatography is a must-have technology for quantifying fragrance allergens with high confidence.</p><h5><strong>5. Agilent Technologies: Ensuring Peak Performance: Comprehensive Guide to GC Column Care</strong></h5><ul><li>Thursday, May 15, 2025, 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4907">Registration</a></li></ul><p>Join us as we discuss proper column installation and handling for all Agilent GCs including the Intuvo 9000. We will also address the common modes of column degradation.</p>

Webinars LabRulezGCMS Week 20/2025

Article

Product

Events

Webinars

Application

Academy

Video

Poster

Scientists

Plastics

Environment

Food

Water

Health

Presentation

Scientific article

Interview

Toxicology

Popularization

Science and research

Software

Covid-19

Career

Laboratories

Various

Zaměření

Type of News

Focus

Everything from the world of analytical chemistry in one place. We connect people in solving their problems. At Labrulez you will find all the necessary information easily, quickly and clearly. Stop searching and start finding.

LabRulez

Thermo Fisher Scientific at US HUPO 2026

36th MassSpec Forum Vienna 2026

US HUPO 2026

Microplastics in Wastewater: A Population Based Approach to Identifying Potential Sources

Real-Time In-Line Insight for Therapeutic Protein Production

Ask Me Anything About Managing Computerized System Risks to Data Integrity