<p><strong>In the week from September 30, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4></blockquote><blockquote><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: Alcoholic Beverages Virtual Symposium: Beer</strong></h5><ul><li>Tu, 1.10.2024 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4262">Registration</a></li></ul><p>How you can assure safety, authenticity, and quality of alcoholic beverages.</p><h5><strong>2.&nbsp;C&amp;EN/Metrohm: In-field Identification of Low-Quality Medicines using Handheld Raman</strong></h5><ul><li>Th, 3.10.2024 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4317">Registration</a></li></ul><p>The global pharmaceutical market's growth has led to an alarming increase in substandard and falsified (SF) medicines, posing significant risks to public health.</p><h5><strong>3.&nbsp;Waters Corporation: ICYMI (In Case You Missed It) - Empower Hot Topics from [inform] 2024</strong></h5><ul><li>Th, 3.10.2024 19:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4302">Registration</a></li></ul><p>Best practices and essential tools for reviewing data and audit trails in Empower.</p>

Webinars LabRulezGCMS Week 40/2024

GC×GC-TOFMS Analysis of Fecal Metabolome Stabilized Using an At-Home Stool Collection Device

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 23rd 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>Shimadzu</strong>, <strong>Thermo Fisher Scientific,</strong> and a presentation by <strong>LECO</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_019_en_5e1bde719c.pdf"><strong>Analysis of Epichlorohydrin in Water using HS- GC/MS</strong></a></h4><ul><li>Application</li></ul><p><strong>User Benefits</strong></p><ul><li>Water samples can be analyzed with a simple preparation.</li><li>Using a headspace autosampler, the analysis of epichlorohydrin in water quality can be performed conveniently.</li></ul><p><strong>Introduction</strong></p><p>Epichlorohydrin (ECH) is primarily used in the production of various resins (epoxy, ion exchange, etc.) and synthetic glycerin. Additionally, it is used as a stabilizer for carbon containing products in surfactants, plasticizers, dyes, and pharmaceuticals1). Some studies have demonstrated that damage to the nasal passages, respiratory tract and kidneys occurred in rodents exposed to epichlorohydrin. It has been observed that exposure to ECH induced a high nasal cancer response in rats, therefore, the United States Environmental Protection Agency (EPA) has classified epichlorohydrin as a “probable” human carcinogen (Group B2).</p><p>According Water Pollutants of Water Environment Conservation Act, the permissible discharge limits of ECH in water were 0.03 to 0.3 mg /L by the classified area. The test method for ECH analysis in water is "Epichlorohydrin-Solvent Extraction/Gas Chromatography-Mass Spectrometry (ES 04608.1)" as the official test method of water pollution.<sup>2)</sup></p><p>The ES 04608.1 was used to extraction method with a large volume of solvent, it caused high consumption of solvent and long time of preparation. To solve these disadvantages, analysis of ECH in water in this application was performed using HS-20 NX headspace sampler without sample pretreatment.</p><p>This application demonstrates the validation of a method for analysis of ECH in water samples using HS-GC/MS (Fig. 1) to meet the demanded levels of ES 04608.1 in Korea.</p><p><strong>Conclusions</strong></p><p>This Application news demonstrated the use of a Shimadzu GCMS-QP2020 NX coupled HS-20 NX for measurement of ECH in water. The proposed analytical method was with good validation parameters, such as linearity, MDL, LOQ, accuracy and precision which was satisfied the criteria of standard method (ES 04608.1) in Korea.</p><h4><strong>2. Agilent Technologies: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_ethylene_oxide_2_chloroethanol_8890_7010_gcms_5994_7720en_agilent_337dc4394d.pdf"><strong>Estimation of Ethylene Oxide and 2-Chloroethanol in Spices and Oilseeds Using QuEChERS Extraction and GC/MS/MS</strong></a></h4><ul><li>Application</li></ul><p><strong>Abstract</strong></p><p>This application note demonstrates the use of an Agilent 8890 GC system coupled with an Agilent 7010 GC/MS triple quadrupole mass spectrometry system to detect and quantify ethylene oxide (EtO) and 2-chloroethanol (2-CE) simultaneously in foodstuffs such as flaxseed, cumin powder, and red chili powder. Sample preparation was done using QuEChERS extraction and a dispersive cleanup process followed by injection into GC/MS/MS through liquid injection. A limit of quantification (LOQ) of 10 ppb for both compounds was achieved in matrix. Average recoveries ranged from 75 to 86% for both compounds.</p><p><strong>Introduction</strong></p><p>EtO is used to sterilize foods to eliminate insects and bacteria, such as salmonella. Ethylene chlorohydrin, or 2-CE, is a derivative produced by the reaction of EtO with chlorine ions present in foodstuff. Use of EtO is banned in the European Union (EU) due to its carcinogenic and toxic properties.</p><p>Previously, methods for analysis of EtO (EtO and 2-CE) have been developed that include acidic conversion of EtO to 2-CE. These methods are time-consuming, labor-intensive, and require large quantities of harmful solvents. Due to the volatile nature of EtO, sample preparation is crucial. In December 2020, the EU Reference Laboratories (EURL) for Residues of Pesticides recommended a single-residue method for the analysis of EtO and 2-CE in sesame seeds using QuEChERS extraction followed by GC/MS/MS analysis.<br>The method adopted in this work demonstrates the use of an automated liquid sampler for sample introduction to the 8890 GC system coupled with a 7010 GC/MS triple quadrupole mass spectrometry system.</p><p><strong>Conclusion</strong></p><p>An accurate and rugged method was developed which meets the requirements of the EURL for a single-residue method that uses QuEChERS extraction followed by GC/MS/MS analysis for the analysis of EtO and 2-CE in flaxseed, cumin powder, and red chili powder. The LOQ of the method was demonstrated at 10 ng/g for all the tested matrices. Repeatable results are found for 6 successive replicates of matrix-based standards at 10 ng/g concentration levels for EtO and 2-CE. Excellent recoveries were obtained for both EtO and 2-CE in all tested matrices at 20 and 50 ng/g spiked concentration levels. Thus, this study demonstrates the usefulness of the developed method for the routine analysis of food samples for EtO and 2-CE 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_advanced_integrated_GC_MS_MS_and_LC_MS_MS_workflow_for_the_comprehensive_analysis_of_pesticide_residues_in_food_a5878f2c6b.pdf"><strong>An advanced integrated GC-MS/MS and LC-MS/MS workflow for the comprehensive analysis of pesticide residues in food</strong></a></h4><ul><li>Application</li></ul><p><strong>Goal</strong></p><p>Analysis of proficiency test (PT) samples to demonstrate the benefits of combining GC-MS/MS and LC-MS/MS with the innovative Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS) for improving laboratory efficiency in the analysis of multi-class pesticide residues in food.</p><p><strong>Keywords:</strong> Pesticide residues analysis, comprehensive pesticides workflows, QuEChERS, LC-MS/MS, GC-MS/MS, Chromeleon CDS, cross-confirmation, targeted quantitation, automated data review.</p><p><strong>Background</strong></p><p>According to the World Health Organization, more than one thousand different pesticides are used to protect crops from pests to increase crop yields and to minimize deterioration of agricultural products during post-harvest storage and transportation. However, inappropriate use of pesticides can result in contamination of the food supply, making it essential to define and monitor pesticide residue targets to protect consumer health, support trade, and establish food regulatory control.<sup>1</sup></p><p>Consequently, laboratories are tasked to develop methods to detect, correctly identify, and quantitate hundreds of different pesticides and their transformation products in hundreds of different sample matrices, in compliance with Maximum Residue Levels (MRLs) set by regulatory bodies.</p><p>Data analysis of pesticide residues in food typically requires numerous performance checks including retention time, ion ratios, calibration curves, recovery, and precision. Data review of thousands of data values in a single chromatographic run and checking compliance against quality control criteria such as the EC SANTE guidelines<sup>2</sup> are some of the most time-consuming tasks in pesticides analysis.</p><p>Therefore, it is essential that workflows cover a broad pesticides scope, are sensitive and robust, and are as productive and efficient as possible to achieve compliance with regulations while meeting business goals such as return on investment (ROI), sample turnaround times, and cost-per-sample targets.</p><p><strong>An innovative approach</strong></p><p>In response to this challenge, new pre-configured “out of the box” pesticide workflows based on the latest Thermo Scientific™ GC-MS/MS and LC-MS/MS instruments and Chromeleon CDS 3 have been specifically designed for multi-class pesticides analysis.</p><p>These solutions include the hardware, software, built-in instrument acquisition methods, and customizable data processing methods including view settings and report templates, along with details of sample extraction and consumables for fast implementation.</p><p>This new approach, which enables the detection, identification, and quantitation of up to 700 pesticides by GC-MS/MS and LC-MS/MS, combines results in a unique software user interface to confirm the identity of residues quickly and accurately, especially those amenable by both techniques.</p><p>This automated cross-confirmation increases confidence in the data by minimizing the risk of false positive and false negative results while increasing productivity by reducing the need for repeat sample injections when either the LC-MS/MS or GC-MS/MS analysis is subject to interference. This is especially the case for more difficult samples that contain high amounts of matrix co-extractives.</p><p><strong>Proof statement</strong></p><p>Laboratories are often required to undertake blind analysis of PT samples containing an unknown number of unspecified pesticides. Assessing PT samples is an independent and more realistic test of the laboratory’s methods and procedures.</p><p>In this application brief, the analysis of PT samples was undertaken to evaluate the analytical performance of the new integrated GC-MS/MS and LC-MS/MS pesticides workflow and to illustrate the benefits of the new software features.</p><h4><strong>4. LECO: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_12_Characterization_and_Quantitative_Hydrocarbon_Group_Type_Analysis_of_Plastic_Derived_Pyrolysis_Oils_by_G_Cx_GC_TOFMS_FID_0a253a5d5e/O-12-Characterization-and-Quantitative-Hydrocarbon-Group-Type-Analysis-of-Plastic-Derived-Pyrolysis-Oils-by-GCxGC-TOFMS-FID.pdf"><strong>Characterization and Quantitative Hydrocarbon Group-Type Analysis of Plastic-Derived Pyrolysis Oils by GCxGC-TOFMS/FID</strong></a></h4><ul><li>Presentation / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/218"><strong>MDCW</strong></a></li></ul><p><strong>Outline</strong></p><ul><li>Pyrolysis Oils Characterization Workflow</li><li>Plastic-Derived Pyrolysis Oil Samples</li><li>Choosing a GCxGC system</li><li>Benefits of the Pegasus BT 4D MS</li><li>Benefits of the Paradigm Shift System</li><li>Choosing a GCxGC column set…</li><li>Mapping out the GCxGC Space</li><li>Group-Type Analysis of Pyrolysis Oils</li><li>ChromaTOF TILE</li><li>Areas of Interest + PCA</li><li>Comparing Trends of Multiple Features</li><li>Benefits of the Pegasus HRT+ 4D</li><li>Benefits of the Multi-Mode Source (MMS)</li><li>Pegasus HRT+ 4D Data Processing Workflows</li><li>High-Resolution, Accurate Mass Data</li><li>Mass Defect: Nitrogen-Containing Species</li><li>Mass Defect: Sulfur-Containing Species</li><li>Leveraging High Resolution Mass Accuracy</li><li>Conclusion</li></ul>

News from LabRulezGCMS Library - Week 39, 2024

Broadband Laser-Based Infrared Detector for Gas Chromatography

<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

<p><strong>In the week from October 7, 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. Agilent Technologies: MassHunter Acquisition Q-TOF Part I – Basic Overview</strong></h5><div><div><ul><li><div>Tu, 8.10.2024 14:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4342">Registration</a></div></li></ul></div><p>Join us for an insightful webinar where we delve into the essentials of MassHunter Acquisition Q-TOF.</p></div><h5><strong>2. Agilent Technologies: Unleash the Power of Small - Agilent New 8850 GC System</strong></h5><ul><li>We, 9.10.2024 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4328">Registration</a></li></ul><div><p>How to maximize productivity, efficiency, and uptime.</p></div><h5><strong>3. Agilent Technologies: Get the Most Out of Your MS</strong></h5><div><div><ul><li><div>Fr, 11.10.2024 11:00 CEST</div></li><li><div><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4333">Registration</a></div></li></ul></div><p>Get the most out of your mass spectrometer using the new DB-5Q and HP-5Q columns.</p></div>

Webinars LabRulezGCMS Week 41/2024

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

<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>

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Thermo Fisher Scientific at US HUPO 2026

36th MassSpec Forum Vienna 2026

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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