<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 30th September 2024? 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 to you applications by <strong>Agilent Technologies</strong>, <strong>Waters Corporation</strong>, and <strong>Thermo Fisher Scientific,</strong> and a poster from <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/296"><strong>ASMS</strong></a> by <strong>Shimadzu</strong>!</p><h4><strong>1. Shimadzu: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/TP_093_Analysis_of_PFAS_in_Water_Final_05292024_8fa9fcb27d.pdf"><strong>Analysis of Volatile PFAS in Water Using Head-Space Solid Phase Microextraction- Gas Chromatography/Mass Spectrometry (HS-SPME GC/MS)</strong></a></h4><ul><li>Poster / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/296"><strong>ASMS</strong></a>&nbsp;</li></ul><p><strong>Introduction</strong>&nbsp;</p><p>Per- and Polyfluoroalkyl Substances (PFAS) are environmental pollutants with recognized health and environmental concerns due to their probable toxicity, persistence, and ubiquitousness throughout the environment, and consumer and industrial products. PFAS encompass a large family of chemicals with varying physicochemical properties. These properties not only affect their toxicity and environmental fate, but also complicates chemical analysis.</p><p>In this work, a Head-Space Solid Phase Microextraction-Gas Chromatography/Mass Spectrometry (HS-SPME GCMS) analytical method was developed to analyze six classes of volatile PFAS in water. This HS-SPME method presents the advantage of simplifying sample extraction and handling for the analysis of volatile PFAS in water, hence, minimizing operational costs, potential errors, and risk of sample-cross contamination.</p><p><strong>Conclusion</strong></p><p>This study demonstrated the use of a Shimadzu GC/MS-QP2020 NX single quadrupole instrument configured with the AOC-6000 Plus multifunctional autosampler and an automated head space solid phase microextraction unit for measurement of volatile PFAS compounds in water. Linear calibration curves were obtained for all compounds (R 2 ≥ 0.993 and RF %RSD &lt; 20 %). The HS-SPME GC/MS-QP2020 NX method demonstrated qualitative and quantitative capability of analyzing PFAS compounds.</p><h4><strong>2. Thermo Fisher Scientific: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003028_gc_ms_isq_epa_vocs_an003028_na_en_7646797ef5.pdf"><strong>Analysis of volatile organic compounds in drinking water according to U.S. EPA Method 524.4</strong></a></h4><ul><li>Application</li></ul><p><strong>Goal</strong></p><p>Demonstration of an analytical method that meets the requirements outlined in U.S. EPA Method 524.4 for the quantitation of volatile organic compounds (VOCs) in drinking water, using the Teledyne LABS Tekmar Lumin Purge and Trap (P&amp;T) concentrator paired with the AQUATek LVA autosampler system along with a Thermo Scientific™ ISQ™ 7610 MS system coupled with a Thermo Scientific™ TRACE™ 1610 gas chromatograph (GC) and Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS). Target analyte linearity, method detection limit (MDL), minimum report level (MRL), and mid-point precision and accuracy were assessed to evaluate method performance.</p><p><strong>Keywords:</strong> EPA, U.S. EPA 524.4, VOCs, phthalates, trace analysis, gas chromatography, single quadrupole mass spectrometry, selected ion monitoring, sensitivity, GRO, THM, volatiles, environmental lab, environmental sample analysis, analytical testing laboratories, ISQ 7610 MS, TRACE 1610 GC, GC-MS.</p><p><strong>Introduction</strong></p><p>Volatile organic compounds (VOCs) are man-made contaminants in various products that pose environmental and public health risks. These compounds are regulated in drinking water, and laboratories follow regulations including U.S. EPA Method 524.2.1 A previous application note described U.S. EPA Method 524.2,2,3 which is the most common method for VOC water testing in the USA. U.S. EPA Method 524.4 is an updated method that allows for nitrogen to be used as the purge gas, thus reducing helium consumption, and is now being more widely used. Targeting 75 VOCs, this method differs by offering more method parameter flexibility but stricter quality control, including the stringent calculation of the minimum reporting level for evaluating calibration checks.</p><p>Implementing U.S. EPA Method 524.4 can present multiple challenges for laboratories. Striking a balance between optimized method conditions and meeting the acceptance criteria, like detection limit requirements for various compound concentrations, is pivotal. Another major hurdle is managing the water matrix to minimize GC-MS system water introduction, which could lead to detrimental effects and delay sample reporting, thereby increasing public safety risks. Ultimately, maintaining consistency in test results to avoid sample reanalysis is crucial. Another factor for laboratories to consider is the fluctuating cost of helium, which is the analytical gas of choice for this analysis.<br>Reducing the use of helium—a limited resource—will enable the laboratory to reduce operational costs and increase profitability.</p><p>The following evaluation describes the use of the ISQ 7610 GC-MS system coupled with a TRACE 1610 GC with the Thermo Scientific™ HeSaver-H<sub>2</sub>Safer™ split/splitless injector and Teledyne LABS Tekmar Lumin P&amp;T concentrator paired with the AQUATek LVA autosampler for U.S. EPA Method 524.4.</p><p><strong>Conclusion</strong></p><p>The combined solution of the TRACE 1610 GC coupled with the ISQ 7610 system and the Tekmar Lumin P&amp;T concentrator with the AQUATek LVA autosampler system successfully addresses the challenges of VOC analysis and provides a robust, sensitive solution needed for ensuring maximized sample throughput and regulatory method compliance for U.S. EPA Method 524.4.</p><ul><li>Excellent linearity for all compounds was demonstrated with the linear regression (r²≥0.995) of the calibration response factors passing all method requirements.</li><li>MDL and precision for seven 0.5 ppb standards showed no interference from excessive water and produced very reproducible results.</li><li>The precision for n=30 samples over 245 injections displayed &lt;30% RSD for all compounds as the method requires and an average recovery of 91%.</li><li>Utilizing HeSaver-H<sub>2</sub>Safer technology reduced helium consumption for the method by 4 times, which provides a significant cost savings.</li></ul><h4><strong>3. Waters Corporation: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008298_en_db4158391c.pdf"><strong>Extractables Analysis of Nasal Spray Devices Using Gas Chromatography and High- Resolution Mass Spectrometry With Soft Ionization</strong></a></h4><ul><li>Application</li></ul><p><strong>Abstract</strong></p><p>Due to concern about the safety of components from plastic, it is crucial to screen for and identify potential extractables and leachables (E&amp;L) in pharmaceutical packaging and medical devices. For volatile, and semi-volatile compounds, gas chromatography-mass spectrometry (GC-MS) with electron ionization (EI) is typically used. Compounds are determined using scientific libraries; however, where compounds are not listed or where the sensitivity of EI-MS is not sufficient, the identification process becomes challenging.</p><p>Here, we describe an E&amp;L screening experiment using gas chromatography and a quadrupole time of flight high-resolution mass spectrometer (QToF-HRMS) with atmospheric pressure gas chromatography (APGC) for soft ionization. A data independent acquisition (DIA) strategy is utilized to aid screening and elucidation which are combined in a screening software solution.</p><p><strong>Benefits</strong></p><ul><li>GC-QToF MS with APGC as an orthogonal technique to LC-QToF-MS allows for comprehensive compound coverage with increased sensitivity compared to typical EI techniques</li><li>The UNIFI™ application within the waters_connect™ platform provides customized workflows to simplify screening and structural elucidation in complex datasets</li><li>The Xevo™ G3 QTof Mass Spectrometer enables confident identification of E&amp;L components in complex matrices through novel ion optics and detection system which maximize transmission</li><li>Soft ionization using the APGC™ source allows for the detection of molecular ions from which elemental compositions can be derived to aid compound identification and confirmation&nbsp;</li><li>MSE, a data independent acquisition, increases confidence in identifications when screening against a library and provides additional information to aid structural elucidation</li></ul><p><strong>Conclusion&nbsp;</strong></p><p>When undertaking E&amp;L screening analyses it is important to use a range of analytical techniques to account for different compound chemistries. GC-QToF MS with APGC as an orthogonal technique to LC-QToF-MS allowed for comprehensive compound coverage with increased sensitivity compared to typical EI techniques. Due to the soft ionization of APGC, the intact molecular ion is often present in the spectra. This combined with a data independent acquisition, MS<sup>E</sup> mode, utilizes full spectral acquisition of the accurate mass information of both precursor and fragment ions.</p><p>This approach boosts confidence in component identifications when screening against an MS/MS library, while minimizing false positives. For instance, in the LC-QToF-MS there were just under 40 potential compounds matches in sample E48 after considering factors such as retention time match, mass accuracy below 3 ppm, and the presence of at least one fragment ion. A further 38 compound matches in sample E48 were tentatively identified using GC-QToF MS with APGC, with mass accuracy below 3 ppm, and the presence of at least one fragment ion.</p><p>MS<sup>E</sup> data also aids in the structural elucidation of unknown substances by utilizing accurate mass and corresponding fragment ions, facilitating comprehensive characterization. This data increases confidence in identifications of components and assists with structural elucidation of unknowns to ultimately aid full characterization. For example an unknown with protonated m/z 284.2703 was tentatively identified as a N-(2-(1-piperazinyl)ethyl)decanamide (mass error 2.33 ppm) by the software.</p><p>For the extractables analysis of nasal sprays the UNIFI application within the waters_connect platform provided SST benchmarking, screening against a library, summary plots to identify trends, filtering of AET levels, binary compare mode to isolate relevant unknowns, and a Discovery Tool for elucidation of unknowns.</p><h4><strong>4. Agilent Technologies: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_voc_rubber_gasket_extracts_gc_msd_5994_7777en_agilent_6a0a6bf7d0.pdf"><strong>Analysis of Volatile Compounds Identified in Rubber Gasket Extracts Using GC/MSD and High-Resolution GC/Q-TOF</strong></a></h4><ul><li>Application</li></ul><p><strong>Abstract</strong></p><p>Chemicals that are part of polymeric container closure systems (CCS) and drug delivery systems have the potential to migrate into drug products during manufacturing, storage, transport, and delivery, and must be identified in the final products to ensure their safety.</p><p>This application note presents a rubber gasket extractables study using a unit mass resolution gas chromatography/mass selective detector (GC/MSD) and a high-resolution gas chromatography/quadrupole time-of-flight (GC/Q-TOF) mass spectrometer to establish a process for identifying GC-amenable extractables and leachable (E&amp;L) compounds.</p><p><strong>Introduction</strong></p><p>Elastomeric gaskets, plungers, and O-rings are common sources of leachable compounds in the manufacturing, storage, and delivery of drug products. E&amp;Ls derived from elastomeric components may impact the stability and efficacy of small and large molecule drug products<sup>1</sup>, and therefore need to be characterized thoroughly. Exposure to some E&amp;L chemicals, such as phthalates and nitrosamines, even at low levels, may cause safety concerns.<sup>2</sup> Chemicals derived from the elastomer manufacturing process typically include accelerators, activators, antioxidants, fillers, plasticizers (including phthalates), mold release agents, and other additives<sup>3</sup> that may leach into the final product. Some additives present in elastomer packaging materials may also contain polycyclic aromatic hydrocarbons (PAHs)<sup>4</sup> and aliphatic hydrocarbons.</p><p>GC/MS is a commonly used technique for analyzing volatile and semivolatile organic compounds in the E&amp;L space. This study demonstrates the capabilities of GC/MSD to identify GC-amenable compounds present in a solvent extract of a rubber gasket by leveraging chromatographic deconvolution in combination with retention index (RI)-based filtering. Adding a high-resolution accurate mass GC/Q-TOF into the E&amp;L workflow provided a higher number of identified chemicals. It also increased confidence in compound identification and enabled structure elucidation of unknown compounds.</p><p>The study was performed in the Network Workstation configuration using Agilent OpenLab Electronic Content Management (ECM) XT as the data repository. This configuration enabled tools that facilitate compliance with various national and EU electronic record regulations, including audit trails, user authentication, role-based permission controls, and remote data storage.<sup>5</sup></p><p><strong>Conclusion</strong></p><p>The GC/MSD is an effective and accessible tool for the analysis of volatile and semivolatile compounds in complex E&amp;L extracts. The established workflow includes deconvolution and an RI-based library search with the data acquisition performed in a compliant environment.</p><p>The high-resolution Agilent 7250 GC/Q-TOF enabled the identification of additional components with increased confidence, as well as structure elucidation of the unknown compounds.</p><p>Furthermore, using the novel ultra-low bleed Agilent J&amp;W DB-5Q GC column resulted in a significant decrease in background, which helps in the identification of late-eluting compounds.</p>

News from LabRulezGCMS Library - Week 40, 2024

Exploring the Chemical Space of the Exposome: How Far Have We Gone?

<p><strong>In the week from October 14, 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>3 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Thermo Fisher Scientific: Solutions for environmental and food contaminant testing</strong></h5><div><div><ul><li><div>Tu, 15.10.2024 10:30 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4238">Registration</a></div></li></ul></div><p>New and advancing workflows to meet and exceed European regulations.</p></div><h5><strong>2.&nbsp;Agilent Technologies: MassHunter Acquisition Q-TOF Part II – Advance Settings</strong></h5><div><div><ul><li><div>Tu, 15.10.2024 14:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4343">Registration</a></div></li></ul></div><p>Join us for an in-depth exploration of advanced settings in MassHunter Acquisition for Q-TOF systems.</p></div><h5><strong>3.&nbsp;Agilent Technologies: Sealing the Deal: Strategies for Leak-Free GC</strong></h5><div><div><ul><li><div>Tu, 15.10.2024 17:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/3920">Registration</a></div></li></ul></div><p>We explore how to identify signs of leaks, address any existing leaks, and prevent future leaks.</p></div><h5><strong>4.&nbsp;Phenomenex: Solid Phase Extraction Troubleshooting Tips and Tricks</strong></h5><div><div><ul><li><div>Tu, 15.10.2024 19:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4338">Registration</a></div></li></ul></div><p>Identify the common challenges associated with solid phase extraction methods.</p></div><h5><strong>5.&nbsp;Technology Networks/Thermo Fisher Scientific: Streamlining Data for Superior Therapeutic Manufacturing</strong></h5><div><div><ul><li><div>We, 16.10.2024 17:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4377">Registration</a></div></li></ul></div><p>This webinar explores how to implement digitization to accelerate decision-making, meet regulatory demands and eliminate bottlenecks in biotherapeutic development.</p></div><h5><strong>6.&nbsp;Waters Corporation: Empower Tips: Ask Me Anything About Processing Data - Part 2</strong></h5><div><div><ul><li><div>Th, 17.10.2024 16:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4360">Registration</a></div></li></ul></div><p>This is the second in our three-part Ask Me Anything webinar series on one of the most frequently asked about topics - processing data.</p></div><h5><strong>7.&nbsp;Bruker: Introduction to Nanoscale Infrared Spectroscopy and Imaging with Photothermal AFM-IR</strong></h5><div><div><ul><li><div>Th, 17.10.2024 17:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4361">Registration</a></div></li></ul></div><p>We kindly invite you to join us for this live webinar: An Introduction to Nanoscale Infrared Spectroscopy and Imaging with Photothermal AFM-IR.</p></div><h5><strong>8.&nbsp;SelectScience/SepSolve Analytical: Investigating the impact of volatile compounds on the flavor profiles of foods and drinks</strong></h5><div><div><ul><li><div>Th, 17.10.2024 17:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4358">Registration</a></div></li></ul></div><p>Explore how innovative extraction and enrichment techniques, combined with state-of-the-art GC–MS analyses can deliver more detailed and accurate volatile profiles.</p></div>

Webinars LabRulezGCMS Week 42/2024

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 7th October 2024? 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 to you applications by <strong>Agilent Technologies</strong>, <strong>Thermo Fisher Scientific</strong><i><strong>,</strong></i> and <strong>Shimadzu</strong>!</p><h4><strong>1. Shimadzu: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_09_SSK_018_en_98b51ec6ac.pdf"><strong>Analysis of Organophosphorus Pesticides in Drinking Water using SPME-GCMS</strong></a></h4><ul><li>Application</li></ul><p><strong>User Benefits</strong></p><ul><li>The inspection items of Organophosphorus pesticides (Diazinon, Parathion, Phenitrothion, Phenthoate, and EPN) in water<br>quality can be analyzed simultaneously.</li><li>The automation of fiber conditioning, pretreatment, and sample injection of SPME is possible using AOC-6000 Plus</li></ul><p><strong>Introduction</strong></p><p>Organophosphorus pesticides (OPs) are a class of insecticides based on organophosphorus compounds. It is widely used to control insects on crops in the pesticide market. OPs disrupt the nervous system by ingestion and contact. These are a toxic substance that cause headaches, dizziness, nausea and convulsions. Because of the side effects of these OPs, in Korea, residual standards are also operated in the water quality environment field. In the past, solvent extraction was used as a pretreatment method for water quality testing, but this required excessive solvent use and complex extraction processes. Therefore, the simpler Solid Phase Micro Extraction (SPME)-Gas Chromatography-Mass Spectrometry (ES 05501.5) method has been revised and published by the National Institute of Environmental Research (NIER) [1].</p><p>This application news describes the suitability of OPs analysis using SPME automatic injection (AOC-6000 Plus) and GCMS-QP2020 NX for Diazinon, Parathion, Phenitrothion based on the Environmental Standards for drinking water pollution, and Phenthoate, EPN based on the Official test standards for environmental pollution.</p><p><strong>Conclusion</strong></p><p>This application news is to analyze five types of OPs according to the Standard for Quality Test of Drinking Water. The suitability of the analysis was confirmed using Shimadzu AOC-6000 Plus and GCMS-QP2020 NX.</p><p>All components showed good linearity with the R<sup>2</sup> value of 0.998 or higher in the concentration (0.1-10) μg/mL range. MDL, LOQ, accuracy, and precision were excellent at (0.03 to 0.06) ng/mL, (0.10 to 0.20) ng/mL, (87.6 to 108.2), and (2.2 to 4.9), respectively, and were found to satisfy the method criteria.</p><p>Based on these results, it was confirmed that the use of AOC-6000 Plus and GCMS-QP2020 NX can automate fiber conditioning, pre-treatment and GC injection, making it more convenient to analyze and obtain excellent analysis results.</p><h4><strong>2. Agilent Technologies: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_semivolatile_organic_compounds_analysis_5994_7686en_agilent_5c1d579274.pdf"><strong>Novel Column Chemistry Raises the Bar on Sensitivity and Data Accuracy in the Analysis of Semivolatile Organic Compounds</strong></a></h4><ul><li>Application</li></ul><p><strong>Abstract</strong></p><p>As ionization sources continue to advance, lowering limits of detection and increasing confidence in analyte identification, column technologies can also be used in conjunction to push the practical limits of sensitivity and data accuracy. Increases in the detection of analyte response also result in unwanted increases in the detection of background noise. Gas chromatography/mass spectrometry (GC/MS) column technology that lowers interfering column bleed ions and elevated bleed baselines, maintains peak shape for active compounds, and can withstand aggressive thermal cycling can greatly enhance the performance and productivity of GC/MS methods. This application note examines how column attributes like bleed, inertness, and thermal stability can further benefit the sensitivity and accuracy of an MS. This study illustrates achievable data parameters, like sensitivity limits at trace levels, retention time consistencies, and data accuracy for active semivolatile organic compounds (SVOCs), when the Agilent 7010D triple quadrupole GC/MS (GC/TQ) system is used.</p><p><strong>Introduction</strong></p><p>Governmental regulatory authorities have established method and performance criteria for GC/MS measurement of SVOCs that are identified as pollutants in environmental and industrial matrices. The United States Environmental Protection Agency (U.S. EPA) method 8270, for example, contains a list of over 200 compounds, some of which can be susceptible to unwanted chemical activity in the instrument flow path, resulting in data quality degradation. If the performance criteria of method 8270 are not met, system maintenance is often needed, such as liner replacement<br>followed by column trimming or replacement, resulting in unplanned instrument downtime.</p><p>Monitoring of the DFTPP tuning standard, which contains 4,4'-DDT, pentachlorophenol, and benzidine, validates the suitability of the flow path and monitors when maintenance should be performed. The breakdown of 4,4'-DDT to 4,4'-DDE, and 4,4'-DDD, as well as the tailing factors of benzidine and pentachlorophenol, tests the flow path inertness, indicating the activity of susceptible acidic and basic analytes. GC columns contribute the largest surface area in the sample flow path and, therefore, are a critical factor in controlling interferences in the analytical path. Agilent Ultra Inert (UI) GC liners, along with an inert GC column phase, can improve the robustness of SVOCs analyses.<sup>1</sup></p><p>Stationary phases used in GC/MS analysis of SVOCs are typically comprised of liquid polymers with a polysiloxane backbone. When heat is applied to the column during routine use, the terminal end of the stationary phase polymer can bend back and attack itself; this is called "backbiting." Ring structures, which are thermodynamically stable, are liberated from the stationary phase, increasing background noise and raising the baseline; this can be problematic for low signal-to-noise (S/N) analytes. Peak integration can become less repeatable, lowering quantitation accuracy. In addition, the increase in freed ring structures—which fragment in the ion source—and analytes can cause spectral interference in extracted mass spectra and decrease the qualitative score of a library spectral hit. The Agilent J&amp;W HP-5Q and DB-5Q GC columns have an increased thermal stability at upper temperature limits, allowing for less spectral interference, lower levels of column bleed, and better data quality, especially for heavier analytes that may suffer from issues with lower S/N.<sup>2</sup></p><p>The new Agilent high-efficiency ion source (HES) 2.0, as seen in Figures 1 and 2, is equipped with a novel dipolar RF lens that redirects carrier gas and low mass ions by &gt; 95%. The deflected ions land on adjacent lenses and are pumped out before entering the mass analyzer, providing reduced noise and extended instrument robustness while maintaining sensitivity. A ramped RF amplitude versus mass is implemented to avoid spectrum tilt. The reduction of noise allows for a further increase of sensitivity to attogram-level detection limits. Built-in intelligence features such as SWARM autotune and early maintenance feedback further enhance instrument performance and diagnostic capabilities. The DB-5Q GC column and the HES 2.0 work in concert to increase the robustness of difficult analyses such as that of SVOCs.<sup>3,4</sup></p><p><strong>Conclusion</strong></p><p>This application note demonstrates that the Agilent J&amp;W DB-5Q GC column can exceed the performance requirements of EPA method 8270. Agilent Ultra Inert chemistry across the sample flow path will maintain peak symmetry of problematic analytes, leading to improved limits of detection and accurate integration. Ultralow-bleed chemistry stabilizes baselines and reduces interfering bleed ions. High-temperature stability allows for the repeated temperature cycling needed for high throughput methods, even when analyzing heavy, complex soil matrices. The matching selectivity of the J&amp;W DB-5Q compared to the Agilent J&amp;W DB-5ms UI allows for seamless adoption, including compatibility with existing retention time locking libraries. The analytical performance of the DB-5Q coupled with the upgraded Agilent HES 2.0 allows for optimal sensitivity, as well as the ability to perform targeted and nontargeted analyses in tandem.</p><h4><strong>3. Thermo Fisher Scientific: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Sl001922_Reduction_of_helium_usage_for_the_analysis_of_pesticide_residues_in_botanical_dietary_supplements_using_GC_MS_MS_with_the_He_Saver_H2_Safer_dd76c52679/Sl001922-Reduction-of-helium-usage-for-the-analysis-of-pesticide-residues-in-botanical-dietary-supplements-using-GC-MS-MS-with-the-HeSaver-H2Safer.pdf"><strong>Reduction of helium usage for the analysis of pesticide residues in botanical dietary supplements using GC-MS/MS with the HeSaver-H<sub>2</sub> Safer technology</strong></a></h4><ul><li>Application</li></ul><p><strong>Introduction</strong></p><p>Consumer interest in botanicals has grown considerably over the past few years as they are considered to contribute to overall health and wellbeing. Supplements are the most popular botanical products sold over the counter in pharmacies, groceries and online stores, therefore, manufacturers must ensure that the raw materials are safe for consumption. Pesticides are chemicals used for crop protection against a variety of pests such as weeds, fungi, rodents, and insects. Because of their extensive use, pesticides can be found in the air, soil, water, and ultimately in the food chain. Despite their use being highly regulated, misuse of pesticides can lead to unwanted contamination of food or other plant-based consumer products, and have possible impacts on both human and environmental health.</p><p>When analyzing pesticides, GC-MS/MS is employed to detect trace levels. Helium is the most common carrier gas used for gas chromatography thanks to its high chromatographic efficiency and inertness. Recent price rises in helium and supply issues caused by shortages have led GC manufacturers, researchers, and analysts to investigate possible mitigation options that entail either switching to alternative carrier gases or reducing the helium consumption. The Thermo Scientific™ HeSaver-H<sub>2</sub>Safer™ carrier gas saving technology 1 offers an innovative and smart approach to dramatically reduce carrier gas consumption, especially during GC operation. It consists of a modified SSL body connected to two gas lines: whereas an inexpensive gas (e.g., nitrogen or argon) is used for inlet pressurization, analyte vaporization and transfer to the analytical column, the selected carrier gas (e.g., helium or hydrogen) is used only to supply the chromatographic column for the separation process, with a limited maximum flow rate. When used with helium as carrier gas, the limited consumption helps to mitigate shortage issues while maintaining GC-MS performance without the need for instrument method re-optimization otherwise required in case of migration to a different carrier gas.</p><p>In this analysis a Thermo Scientific™ TRACE ™ 1610 gas chromatograph equipped with two Thermo Scientific™ iConnect™ split/splitless injectors, one operating as a standard SSL and the other one upgraded to work in HeSaver-H<sub>2</sub>Safer mode using argon as pressurizing gas, was coupled to the Thermo Scientific™ TSQ™ 9610 triple quadrupole mass spectrometer and used to run a direct comparison to demonstrate consistency in the analytical results. Details regarding the standards, reagents and the sample preparation used in this study are reported in a previous application note.</p><p><strong>Summary</strong></p><p>The HeSaver-H<sub>2</sub>Safer technology offers the advantage of nearly 4 times reduced helium gas consumption, without compromising GC-MS performance for the analysis of residual pesticides in botanical supplements, through a smooth and simple upgrade of a standard iConnect SSL injector module.</p><ul><li>The transition from the injection phase using an inexpensive pressurizing gas to the separation process using the best carrier gas is extremely fast (within a few milliseconds), ensuring a rapid gas replacement into the column and, thus, analogous performance compared to the use of a standard SSL injector.</li><li>Existing validated methods can be used unchanged with consistent analytical performance in terms of injection repeatability, analyte transfer, linearity, recovery and robustness.</li><li>Moreover, the HeSaver-H<sub>2</sub>Safer technology provides additional advantages, such as discharging the pressurizing gas only through the split line for the majority of the time, protecting the column from possible contaminants.</li><li>The Helium Gas Saver Calculator allows for easy and immediate estimation of helium cylinder lifetime and cost savings when using the helium-saver technology.</li></ul>

News from LabRulezGCMS Library - Week 41, 2024

The dynamic changes of flavor characteristics of sea cucumber (Apostichopus japonicus) during puffing revealed by GC–MS combined with HS-GC-IMS

<p><strong>In the week from October 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>3 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1.&nbsp;Quantum Analytics/Bruker: Unleashing the Power of FTIR-Based Gas Analysis</strong></h5><div><div><ul><li><div>Tu, 22.10.2024 20:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4363">Registration</a></div></li></ul></div><p>State-of-the-art FTIR-based gas analysis technology can transform your approach to gas analysis, making it simpler, more accurate, and adaptable to even the harshest industrial environments.</p></div><h5><strong>2.&nbsp;Mestrelab Research: Building a Purification Factory: Embedding Mestrelab Tools into a Rich IT Infrastructure</strong></h5><div><div><ul><li><div>We, 23.10.2024 17:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4379">Registration</a></div></li></ul></div><p>We’ll demonstrate how to integrate Mestrelab’s tools into a complex IT ecosystem to automate lab workflows.</p></div><h5><strong>3.&nbsp;C&amp;EN/Agilent Technologies: Best Practice for LDIR Analysis of Microplastics: A Case Study from the Japan Trench)</strong></h5><div><div><ul><li><div>Th, 24.10.2024 16:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4388">Registration</a></div></li></ul></div><p>We will explore the following topics while using a recent study of samples collected from the 8km deep Japan Trench: SamplePrep, LDIR, Py-GC/MS.</p></div>

Webinars LabRulezGCMS Week 43/2024

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 14th October 2024? 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 to you applications by <strong>Agilent Technologies</strong>, <strong>Thermo Fisher Scientific,</strong><i> </i>and posters by <strong>Shimadzu </strong>and<strong> LECO</strong>!</p><h4><strong>1. Shimadzu: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/aoac_2024_9_m031_d1063f34df.pdf"><strong>Interlaboratory comparison study of two gas chromatography injection techniques viz. liquid and dynamic headspace for trace level quantification of Ethylene Oxide (EtO) and 2-Chloroethanol (2-CE) in ginger powder sample by using tandem mass spectrometry</strong></a></h4><ul><li>Poster / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/292"><strong>AOAC</strong></a></li></ul><p><strong>Purpose</strong></p><p>EtO is one of the most widely produced chemicals worldwide. It is colorless, odorless, flammable gaseous cyclic ether with boiling point of 10.4°C. It has a very strong antibacterial property. Due to its small size, it shows a high diffusivity and strong penetrating properties and is thus very effective in the disinfestation / disinfection of food commodities. EtO is highly carcinogenic, mutagenic and genotoxic impurity for living being. The US National Institute of Health (NIH) classified EtO as “known to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in humans, including epidemiological studies and studies on mechanisms of carcinogenesis.” Considering carcinogenicity and no acceptable threshold for exposure, no Acceptable Daily Intake (ADI) was established for EtO.</p><p>2-CE, which is one of the prominent metabolite of EtO is also considered to be genotoxic and potentially carcinogenic. Given the inconclusive toxicological picture of 2-CE, it was decided by regulatory authorities to follow the precaution approach and consider 2-CE equally toxic to EtO. Hence it is very important to quantitate EtO and 2-CE in food matrices at trace levels. EU-MRLs (Maximum Residue Levels as per European Commission) for EtO and 2-CE are summarized in Table 1.</p><p>Various methods have been presented in EURL-SRM-Analytical Observation Report for the analysis of EtO and 2-CE. The choice of the analytical approach depends on both the analytes and the matrix to be analyzed. So, it is important to have a detailed comparison study of different analytical approaches to ensure robustness, reliability and accuracy of the method for the quantification of EtO and 2-CE.</p><p>This study covers the comparison between liquid injection technique and dynamic headspace injection technique using different extraction processes for ensuring highest extraction efficiencies. Incurred sample is used for this study.</p><p><strong>Conclusion</strong></p><ul><li>In comparison between liquid and HS-Dynamic mode, it is evident that HS Dynamic has advantage in method optimization for accurate recoveries. Liquid extraction needs multiple trials to ensure complete extraction of analytes, majorly depending on matrix. Similarly, temperature and extraction time also plays a critical role</li><li>Quantification of EtO and 2-CE impurities in ginger powder sample was successfully performed by using Shimadzu GCMS-TQ8050 NX with AOC-20i/s and HS-20 NX dynamic headspace samplers</li><li>HS Dynamic requires less sample preparation, demonstrates high recovery due to closed system, high accuracy and easy method optimization</li></ul><h4><strong>2. Agilent Technologies: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_phosphine_cereals_spices_8697_headspace_8890_7010c_5994_7859en_agilent_c8f2d8fe74.pdf"><strong>Estimation of Hydrogen Phosphide (Phosphine) Residues in Cereals and Spices Using the Agilent 8697 Headspace Sampler and GC/MS/MS</strong></a></h4><ul><li>Application</li></ul><h5><strong>Abstract</strong></h5><p>This application note demonstrates the use of an Agilent 8890 GC system coupled with the Agilent 8697 headspace sampler and Agilent 7010 GC/TQ to detect and quantify hydrogen phosphide (phosphine) residues in rice and red chili powder. The sample was inserted into a headspace vial and Milli-Q water was added. The vial was crimped and loaded into the headspace sampler, followed by GC/MS/MS analysis. The limit of quantification of 5 ng/g was achieved in rice and red chili powder matrices. Average recoveries ranged from 80 to 110% in various recovery experiments.</p><h5><strong>Introduction</strong></h5><p>Fumigants are gases used for controlling pests in stored food products.<sup>1</sup> Cereals are mainly disinfected by hydrogen phosphide (commonly known as phosphine) and liberated from stable salts such as zinc phosphide or aluminum phosphide.1 Phosphine is a colorless gas that is used as a fumigant worldwide because of its rapid diffusion and extreme volatility.<sup>1</sup> Despite these desirable properties, trace amounts of phosphine may persist in foods several months after treatment and can cause severe health problems.<sup>1</sup></p><p>Due to its high volatility, phosphine is not amenable to club with common multiresidue methods for pesticide residue analysis in food. Thus, special single-residue methods must be applied.<sup>2</sup> Previously, methods for the analysis of phosphine have been developed that highlight the use of the Tenax-filled inlet liner along with cryogenic cooling to preconcentrate the phosphine prior to chromatographic separation. These methods require heavy analytical configurations that include a liquid nitrogen handling system. In EU legislation, maximum residue limits for phosphine in foodstuffs range from 0.01 to 0.1 mg/kg, depending on the commodity (Commission Regulation (EC) No. 149/2008).<sup>2</sup></p><p>The method adopted in this application note demonstrates the use of the 8697 headspace sampler for sample introduction to the 8890 GC system coupled with the 7010 GC/TQ.&nbsp;</p><p><strong>Column configuration</strong></p><p>To prevent single, loose particles of the PLOT column stationary phase from entering the ion source of the mass-sensitive detector (MSD), a restriction capillary (1 m × 0.15 mm) was inserted between the PLOT column and the MSD using a purged Ultimate union. This configuration also helps in column replacement without venting the mass spectrometer.</p><h5><strong>Conclusion</strong></h5><p>An accurate and rugged method was developed which meets the requirements of the European Union reference laboratory (EURL) for maximum residue limits of phosphine in foodstuffs. This ranges from 0.01 to 0.1 mg/kg, depending on the commodity (Commission Regulation (EC) No 149/2008) for the analysis of phosphine in rice and red chili powder. The LOQ of the method was demonstrated at 5 ng/g for all tested matrices. Repeatable results were found for four successive replicates of matrix-based standards at 20 ng/g concentration levels. Excellent recoveries were obtained in all tested matrices at 10 ng/g spiked concentration levels. Thus, this study demonstrates the usefulness of the developed method for routine analysis of food samples for phosphine analysis at trace levels.</p><h4><strong>3. Thermo Fisher Scientific: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003105_gc_ms_tsq_9610_dioxins_furan_feed_an003105_na_en_26c691ad68.pdf"><strong>Trace analysis of polychlorinated dibenzo-p-dioxins/ dibenzofurans using GC-MS/MS in accordance with EU Regulations 2017/644 and 2017/771 for food and feed</strong></a></h4><ul><li>Application</li></ul><p><strong>Goal</strong></p><p>To demonstrate the suitability of the Thermo Scientific™ TSQ™ 9610 triple quadrupole GC-MS/MS system with Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) software for the routine and regulatory compliance testing of polychlorinated dibenzo-p-dioxins and polychlorinated dibenzo-p-furans (PCDD/Fs) in food and feed samples in accordance with Commission Regulations (EU) 2017/644 and 2017/771.</p><p><strong>Introduction</strong></p><p>Polychlorinated dibenzo-p-dioxins/dibenzofurans (PCDD/F), or dioxins as they are commonly referred to, are classified as persistent organic pollutants (POPs) under the Stockholm Convention. Due to their chemical stability and high fat solubility, these chemicals can accumulate within food chains and pose exposure/health risks to humans through consumption of food items (i.e., diary, meat, and fish). Regulations are in place to monitor food and feed for the presence of dioxins to protect the population.<sup>1</sup> Current maximum levels allowable for PCDD/Fs in food and feedstuffs are at the pg·g<sup>-1</sup> concentration range due to the toxicity risk they pose.<sup>2,3</sup> However, the European Commission has announced plans to lower the current maximum levels in certain feedstuffs in 2024 based an updated risk assessment.<sup>4</sup> As of 2014, a change of EU regulations permitted the use of gas chromatography-triple quadrupole mass spectrometry (GC-MS/MS) for the analysis of food and feed as an alternative to GC–high-resolution mass spectrometry (GC-HRMS).<sup>5,6</sup> With the proposed lowering of some maximum levels, performance of current instrumentation to achieve these targeted limits must be assessed.</p><p>Achieving these targeted limits places further stress on laboratories in maintaining consistent sensitivity to detect the trace levels of dioxins in difficult food matrices. Another challenge for analysts is the time-consuming data assessment based on regulatory requirements for PCDD/F analysis. Often the<br>necessary tools for PCDD/F quantification (i.e., isotopic dilution quantification) and reporting of regulatory requirements (ion ratio, calibration, and response factor deviation)7,8 do not exist within a single software. This requires analysts to export to external packages (i.e., Microsoft™ Excel™ ) to perform critical calculations leading to transcription errors and added time for reporting. In addition, laboratories must ensure they produce consistent data throughout the analytical run to avoid reanalysis or re-extraction when sample/extract material is limited.</p><p>In this analysis, the performance of the TSQ 9610 triple quadrupole GC-MS/MS system equipped with the Thermo Scientific™ NeverVent™ advanced electron ionization (AEI) source was used to demonstrate compliance for regulatory limits for PCDD/F in food and feed samples in accordance with EU Regulations. Food and feed samples were provided by the European Union Reference Laboratory for halogenated Persistent Organic Pollutants in feed and food (EURL POPs) (Germany) and Wageningen Food Safety Research, in their capacity as National Reference Laboratory for POPs (NRL POPs, The Netherlands). These samples contained known trace levels of dioxins previously confirmed at the respective institutes or in international proficiency tests. The aim of this analysis was to ensure results were consistent with the previously determined concentrations in food and feed matrices and meet current compliance with the EU regulations.</p><p><strong>Conclusion</strong></p><p>The results of these comprehensive experiments demonstrate that the TSQ 9610GC-MS/MS system, configured with the NeverVent AEI source and controlled using Chromeleon CDS software together with the Dioxin Analyzer eWorkflow, can deliver reliable regulatory-compliant performance for the quantification and confirmation of PCDD/Fs food and feedstuffs:</p><ul><li>Femtogram level sensitivity performance for ultra trace level determination of PCDD/F within food and feed samples.</li><li>Check standard performance was within quantitation and ion ratio thresholds for regulatory method compliance at femtogram levels.</li><li>Accurate and precise quantitation at maximum levels and action thresholds for PCDD/F in food and feed.</li><li>Chromeleon CDS software, version 7.3, provides an integrated platform, with the ability to automatically setup, easily acquire, process and report compliant data in a fully regulated environment, eliminating the need for using external spreadsheet programs.</li><li>Chromeleon eWorkflows, available from Thermo Fisher Scientific also provide error-free execution of each analysis to meet standard operating procedure (SOP) requirements, further simplifying the user experience.</li></ul><h4><strong>4. LECO: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Basil_Comparison_GC_G_Cx_GC_TOFMS_LHF_MDCW_24_LPSS_315_Joe_Binkley_4223f2122d/Basil_Comparison_GC_GCxGC_TOFMS_LHF_MDCW24_LPSS-315-Joe-Binkley.pdf"><strong>Characterization and Comparison of Basil Before and After Drying Using GC, GCxGC, and TOFMS</strong></a></h4><ul><li>Poster</li></ul><p><strong>INTRODUCTION</strong></p><p>GC and MS are well-established techniques for the characterization of food, beverage, and flavor samples. Extending the analytical separation to two<br>dimensions with comprehensive two-dimensional gas chromatography (GCxGC) enhances the peak capacity, allows for exploring more complex samples, and allows for determining more individual analytes within complex samples. TOFMS adds to these benefits and often leads to the identification for these isolated analytes, supporting non-target analyses where analytes of interest and importance can be determined through data evaluation. When coupled together, the benefits are often greater than the sum of the individual techniques.</p><p>Software tools that compare sets of GCxGC samples facilitate these analyses and can effectively reveal useful information from the rich data. In this work, we evaluate the aroma characteristics for basil before and after drying. This type of characterization can be useful for quality control, product development, and batch comparisons, as well as understanding the sensory profile changes associated with curing.</p><p><strong>CONCLUSIONS</strong></p><p>In this work, LECO’s TGM800 was used to determine the moisture level of fresh and cured basil samples and LECO’s Pegasus BT4D GCxGC-TOFMS with ChromaTOF Tile were used to highlight differences between the chemicals which contribute to the sensory profiles of fresh and cured basil. This provided a better understanding of the aroma characteristics of these samples. Many differences were observed between the samples and the analytical tools used<br>in this work were crucial for their determination.</p>

News from LabRulezGCMS Library - Week 42, 2024

<p><strong>In the week from October 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>3 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1.&nbsp;Agilent Technologies: Agilent Microplastics Meeting 2024</strong></h5><div><div><ul><li><div>Tu, 29.10.2024 09:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4245">Registration</a></div></li></ul></div><p>Join us for an exclusive one-day hybrid event, where we'll explore the latest trends and innovations in microplastics analysis.</p></div><h5><strong>2. Separation Science/Markes International: Sorptive Extraction Fundamentals and Applications: Extracting More with SPME and HiSorb</strong></h5><div><div><ul><li><div>Tu, 29.10.2024 11:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4400">Registration</a></div></li></ul></div><p>We will focus on evolving microextraction methods, including SPME, thin-film SPME, SPME Arrow, vacuum-assisted SPME, and HiSorb.</p></div><h5><strong>3.&nbsp;Agilent Technologies: MassHunter Quant – A Fast and Easy Way from Data to Results</strong></h5><div><div><ul><li><div>Tu, 29.10.2024 14:00 CET</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4345">Registration</a></div></li></ul></div><p>Join us and discover how quickly a quantitation method can be set up, enabling efficient data processing.</p></div><h5><strong>4.&nbsp;The Analytical Scientist/Wiley Science Solutions: Introduction to KnowItAll for Mass Spectrometry</strong></h5><div><div><ul><li><div>Tu, 29.10.2024 16:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4396">Registration</a></div></li></ul></div><p>Discover how Wiley’s KnowItAll saves hours of GC-MS manual analysis time by combining fast, flexible deconvolution with an integrated reference database</p></div><h5><strong>5.&nbsp;Technology Networks/Agilent Technologies/PerkinElmer/Peak Scientific: Ask Me Anything: PFAS</strong></h5><div><div><ul><li><div>Tu, 29.10.2024 17:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4398">Registration</a></div></li></ul></div><p>Ian will connect with our live audience to address a broad spectrum of topics related to PFAS.</p></div><h5><strong>6.&nbsp;LECO: Non-Targeted Screening in Food: Boosting Food Analysis using GC×GC-ToF MS</strong></h5><div><div><ul><li><div>Th, 31.10.2024 14:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4405">Registration</a></div></li></ul></div><p>We will explore the pioneering applications of GCxGC coupled with TOF MS in the analysis of extra virgin olive oil (EVOO), measured on our newly released Pegasus BTX GCxGC-ToF MS.</p><h5><strong>7.&nbsp;Technology Networks/PerkinElmer: Innovative Technologies and Materials Advancing Battery Research</strong></h5><div><div><ul><li><div>Th, 31.10.2024 16:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4404">Registration</a></div></li></ul></div><p>A comprehensive exploration of the groundbreaking advancements in materials and technologies that will transform energy storage.</p><h5><strong>8. Technology Networks/Bruker/PAL System/Seer/Miltenyi Biotec: Advances in Proteomics &amp; Metabolomics 2024 (Day 2)</strong></h5><div><div><ul><li><div>Th, 31.10.2024 16:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4403">Registration</a></div></li></ul></div><p>Hear about the latest advancements in translational proteomics and metabolomics.</p></div></div></div>

Webinars LabRulezGCMS Week 44/2024

Identification of characteristic flavor compounds of boletus edulis from different regions based on by E-nose, HS-GC-IMS and HS-SPME-GC–MS

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 21st October 2024? 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 applications by <strong>Agilent Technologies</strong>, <strong>Thermo Fisher Scientific,</strong><i> </i>and <strong>Shimadzu</strong> and a presentation by<strong> </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/131"><strong>James Little - Mass Spec Interpretation Services</strong></a>!</p><h4><strong>1. Shimadzu: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_04_ad_0308_en_e9ef3dfd0c.pdf"><strong>Ethylene Oxide and 2-Chloroethanol in Various Rice Samples by Dynamic Headspace and GC- MS/MS</strong></a></h4><ul><li>Application</li></ul><p><strong>User Benefits</strong></p><ul><li>Simple sample preparation procedure, direct sample analysis</li><li>Sample recovery within 70 % to 130 % without matrix-matched calibration curves</li></ul><p><strong>Introduction</strong></p><p>Ethylene oxide (EO) is sometimes used as a fumigant on food products to control pests and insects during storage and transportation. However, residue of EO might remain in the products, raising concerns about the potential health risks associated with it. Therefore, it is essential to monitor and analyze ethylene oxide levels in food product to ensure compliance with safety regulations and protect consumer health. In this study, both ethylene oxide (EO) and 2-chloroethanol (2-CE) in rice were analyzed. 2-CE, a potential byproduct of EO fumigation, is also a compound of interest due to its toxicity and potential health implications. By utilising dynamic headspace and GC-MS/MS, precise and sensitive detection of both EO and 2-CE residues in rice samples can be achieved. The limit of quantitation is 5 ng/g with area %RSD (n=5) for EO and 2-CE at 5.6 % and 4.9 %, respectively. The spike recovery study at concentrations of 10 ng/g, 25 ng/g and 100 ng/g yielded recoveries within 70 %-130 %. This comprehensive analytical approach enables accurate quantification and identification of these compounds, significantly contributing to the overall safety and quality assurance of the food supply chain.</p><p><strong>Conclusion</strong></p><p>An internal standard method was successfully developed for the analysis of EO and 2-CE in rice using HS-20 NX Trap with GCMS-TQ8050 NX. The dynamic headspace technique and GC-MS/MS were employed, simplifying the sample preparation process and maximizing the sensitivity. Good linearity (R2 value &gt; 0.997) and recovery within 70 % to 130 % were achieved for all the samples analyzed in this experiment, even without the use of matrix-matched calibration curves.</p><h4><strong>2. Thermo Fisher Scientific: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/cs_003090_gc_ms_orbitrap_exploris_exposomics_cs003090_na_en_974ecd6971.pdf"><strong>Supporting exposomics research with the Orbitrap Exploris GC 240 mass spectrometer</strong></a></h4><ul><li>Application</li></ul><p><strong>What is exposomics?</strong></p><p>The exposome, which is defined as the cumulative effect of environmental exposures and corresponding biological responses, helps to provide a comprehensive measure for evaluating non-genetic causes of disease. Exposomics is the study of the exposome that seeks to understand and quantify the totality of a human's lifetime exposure to various environmental factors, including chemical, physical, and biological agents. In essence, it involves assessing and analyzing the complex interactions between environmental exposures and an individual's genetic makeup, lifestyle, and other factors to understand their impact on human health and disease. By examining the cumulative effects of multiple exposures over time, exposomics provides valuable insights into the underlying mechanisms of disease development and can inform strategies for prevention and intervention.<sup>1</sup></p><p><strong>Summary</strong></p><p>The ability to measure the complexity of the exposome has been limited by the available analytical technology to detect complex exposures patterns at varying concentrations. By using untargeted approaches with high-resolution mass spectrometry, it is possible to detect and identify ongoing exposures that may have not been expected or characterized.</p><ul><li>High-resolution, full scan mass spectrometry using Orbitrap technology provides a solution for:</li><li>Detection and quantification of compounds using an untargeted full scan acquisition that is both highly selective and sensitive.</li><li>Identification and elucidation of the chemical composition of unknown compounds.</li><li>Retrospective analysis of samples long after data acquisition.</li></ul><p>The combined capability of both the Orbitrap Exploris GC 240 mass spectrometer and Compound Discoverer software with spectral libraries is an excellent tool to support exposomics research.</p><h4><strong>3. Agilent Technologies: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_pesticides_botanicals_captiva_5994_7361en_agilent_53a42de795.pdf"><strong>Comparison of Sample Preparation Methods for Pesticide Analysis in Botanical Dietary Supplement Materials</strong></a></h4><ul><li>Application</li></ul><p><strong>Abstract</strong></p><p>This application note presents a novel streamlined sample preparation method for liquid chromatography/triple quadrupole mass spectrometry (LC/MS/MS) and gas chromatography/triple quadrupole mass spectrometry (GC/MS/MS) multiresidue pesticide (over 440) analysis. This treamlined sample preparation enables analysis in botanical dietary supplement (BDS) materials using the EMR mixed‑mode passthrough cleanup with Agilent Captiva EMR with Carbon S cartridges. Various BDS samples are extracted by traditional QuEChERS extraction, followed by appropriate Captiva EMR cartridge cleanup. The selected Captiva EMR cartridges, based on the BDS sample matrix complexity and pigment intensity, include Captiva EMR–GPD for green tea and peppermint tea, Captiva EMR–LPD for barberry root, and Captiva EMR–GPD + EMR–GPF for curcumin complex. The developed method provides a simple and unified sample preparation workflow for both LC/MS/MS and GC/MS/MS pesticide detection. This method demonstrates acceptable performance, i.e., recovery of 70 to 120% and RSDs &lt; 20%, in representative BDS samples for over 82% of the total 447 pesticides analyzed. Compared to the traditional approach that requires multiple sample preparation methods, the newly developed method demonstrates a more one‑size‑fits‑most approach for efficient cleanup. This approach increases the instrument uptime and reduces both<br>consumables and labor resources. The direct comparison of new method versus old method on actual samples analysis demonstrates acceptable equivalence on reporting results.</p><p><strong>Conclusion</strong></p><p>A simple, rapid, and reliable method using Agilent Bond Elut QuEChERS extraction followed by EMR mixed‑mode passthrough cleanup using Agilent Captiva EMR with Carbon S cartridges was developed. The results of this method were verified for over 440 pesticides in botanical dietary supplement extracts and products by LC/MS/MS and GC/MS/MS. The EMR mixed‑mode passthrough cleanup method provided a convenient and simplified cleanup method after sample extraction for selective and efficient matrix removal in BDS matrices and acceptable quantitation recovery and reproducibility in large panel pesticide quantitation. The detailed proficiency test confirmed the acceptable method performance for practical<br>sample analysis.</p><p>The ability to streamline sample preparation into a single method allows for a reduction in the total amount of sample preparation consumables and reduces the preparation time. The reduced organic solvent, especially the toxic solvent used per sample, made the entire procedure greener while being more people and environmentally friendly. Also, having one sample to be prepped in a single day allows for much greater traceability regarding shared analytes between LC and GC analyses. This single sample preparation also helps simplify the results and documentation. Consolidating sample preparation documentation into a single packet, as opposed to two packets, minimizes time spent by reviewing staff.</p><h4><strong>4. </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/131"><strong>James Little - Mass Spec Interpretation Services</strong></a><strong>: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/quant_handout_98c5b2fea8.pdf"><strong>KnowItAll Quantitative Software for EI GC-MS</strong></a></h4><ul><li>Application</li></ul><p><strong>Table of content:</strong></p><ul><li>Files Used for Demonstration</li><li>More Information on Files from North Dakota Website</li><li>Final Result Page from Demonstration</li><li>Quantitation Workflow</li><li>Wiley KnowItAll Training Resources</li></ul><p>&nbsp;</p>

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News from LabRulezGCMS Library - Week 43, 2024

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