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!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring to you applications by Agilent Technologies, Shimadzu, Thermo Fisher Scientific, and a presentation by LECO!<h4>1. Shimadzu: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_09_SSK_019_en_5e1bde719c.pdf">Analysis of Epichlorohydrin in Water using HS- GC/MS</a></h4><ul><li>Application</li></ul>User Benefits<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>IntroductionEpichlorohydrin (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).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.2)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.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.ConclusionsThis 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.<h4>2. Agilent Technologies: <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">Estimation of Ethylene Oxide and 2-Chloroethanol in Spices and Oilseeds Using QuEChERS Extraction and GC/MS/MS</a></h4><ul><li>Application</li></ul>AbstractThis 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.IntroductionEtO 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.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. 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.ConclusionAn 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.<h4>3. Thermo Fisher Scientific: <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">An advanced integrated GC-MS/MS and LC-MS/MS workflow for the comprehensive analysis of pesticide residues in food</a></h4><ul><li>Application</li></ul>GoalAnalysis 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.Keywords: Pesticide residues analysis, comprehensive pesticides workflows, QuEChERS, LC-MS/MS, GC-MS/MS, Chromeleon CDS, cross-confirmation, targeted quantitation, automated data review.BackgroundAccording 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.1Consequently, 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.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 guidelines2 are some of the most time-consuming tasks in pesticides analysis.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.An innovative approachIn 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.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.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.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.Proof statementLaboratories 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.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.<h4>4. LECO: <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">Characterization and Quantitative Hydrocarbon Group-Type Analysis of Plastic-Derived Pyrolysis Oils by GCxGC-TOFMS/FID</a></h4><ul><li>Presentation / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/218">MDCW</a></li></ul>Outline<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

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!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring to you applications by Agilent Technologies, Waters Corporation, and Thermo Fisher Scientific, and a poster from <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/296">ASMS</a> by Shimadzu!<h4>1. Shimadzu: <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">Analysis of Volatile PFAS in Water Using Head-Space Solid Phase Microextraction- Gas Chromatography/Mass Spectrometry (HS-SPME GC/MS)</a></h4><ul><li>Poster / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/296">ASMS</a>&nbsp;</li></ul>Introduction&nbsp;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.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.ConclusionThis 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.<h4>2. Thermo Fisher Scientific: <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">Analysis of volatile organic compounds in drinking water according to U.S. EPA Method 524.4</a></h4><ul><li>Application</li></ul>GoalDemonstration 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.Keywords: 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.IntroductionVolatile 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.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. Reducing the use of helium—a limited resource—will enable the laboratory to reduce operational costs and increase profitability.The following evaluation describes the use of the ISQ 7610 GC-MS system coupled with a TRACE 1610 GC with the Thermo Scientific™ HeSaver-H2Safer™ 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.ConclusionThe 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.<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-H2Safer technology reduced helium consumption for the method by 4 times, which provides a significant cost savings.</li></ul><h4>3. Waters Corporation: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008298_en_db4158391c.pdf">Extractables Analysis of Nasal Spray Devices Using Gas Chromatography and High- Resolution Mass Spectrometry With Soft Ionization</a></h4><ul><li>Application</li></ul>AbstractDue 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.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.Benefits<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>Conclusion&nbsp;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, MSE mode, utilizes full spectral acquisition of the accurate mass information of both precursor and fragment ions.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.MSE 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.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.<h4>4. Agilent Technologies: <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">Analysis of Volatile Compounds Identified in Rubber Gasket Extracts Using GC/MSD and High-Resolution GC/Q-TOF</a></h4><ul><li>Application</li></ul>AbstractChemicals 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.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.IntroductionElastomeric 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 products1, 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.2 Chemicals derived from the elastomer manufacturing process typically include accelerators, activators, antioxidants, fillers, plasticizers (including phthalates), mold release agents, and other additives3 that may leach into the final product. Some additives present in elastomer packaging materials may also contain polycyclic aromatic hydrocarbons (PAHs)4 and aliphatic hydrocarbons.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.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.5ConclusionThe 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.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.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.

News from LabRulezGCMS Library - Week 40, 2024

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!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring to you applications by Agilent Technologies, Thermo Fisher Scientific, and Shimadzu!<h4>1. Shimadzu: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_09_SSK_018_en_98b51ec6ac.pdf">Analysis of Organophosphorus Pesticides in Drinking Water using SPME-GCMS</a></h4><ul><li>Application</li></ul>User Benefits<ul><li>The inspection items of Organophosphorus pesticides (Diazinon, Parathion, Phenitrothion, Phenthoate, and EPN) in water 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>IntroductionOrganophosphorus 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].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.ConclusionThis 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.All components showed good linearity with the R2 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.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.<h4>2. Agilent Technologies: <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">Novel Column Chemistry Raises the Bar on Sensitivity and Data Accuracy in the Analysis of Semivolatile Organic Compounds</a></h4><ul><li>Application</li></ul>AbstractAs 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.IntroductionGovernmental 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 followed by column trimming or replacement, resulting in unplanned instrument downtime.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.1Stationary 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.2The 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.3,4ConclusionThis 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.<h4>3. Thermo Fisher Scientific: <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">Reduction of helium usage for the analysis of pesticide residues in botanical dietary supplements using GC-MS/MS with the HeSaver-H2 Safer technology</a></h4><ul><li>Application</li></ul>IntroductionConsumer 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.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-H2Safer™ 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.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-H2Safer 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.SummaryThe HeSaver-H2Safer 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.<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-H2Safer 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

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!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring to you applications by Agilent Technologies, Thermo Fisher Scientific, and posters by Shimadzu and LECO!<h4>1. Shimadzu: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/aoac_2024_9_m031_d1063f34df.pdf">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</a></h4><ul><li>Poster / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/292">AOAC</a></li></ul>PurposeEtO 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.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.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.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.Conclusion<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>2. Agilent Technologies: <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">Estimation of Hydrogen Phosphide (Phosphine) Residues in Cereals and Spices Using the Agilent 8697 Headspace Sampler and GC/MS/MS</a></h4><ul><li>Application</li></ul><h5>Abstract</h5>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.<h5>Introduction</h5>Fumigants are gases used for controlling pests in stored food products.1 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.1 Despite these desirable properties, trace amounts of phosphine may persist in foods several months after treatment and can cause severe health problems.1Due 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.2 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).2The 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;Column configurationTo 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.<h5>Conclusion</h5>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.<h4>3. Thermo Fisher Scientific: <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">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</a></h4><ul><li>Application</li></ul>GoalTo 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.IntroductionPolychlorinated 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.1 Current maximum levels allowable for PCDD/Fs in food and feedstuffs are at the pg·g-1 concentration range due to the toxicity risk they pose.2,3 However, the European Commission has announced plans to lower the current maximum levels in certain feedstuffs in 2024 based an updated risk assessment.4 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).5,6 With the proposed lowering of some maximum levels, performance of current instrumentation to achieve these targeted limits must be assessed.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 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.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.ConclusionThe 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:<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>4. LECO: <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">Characterization and Comparison of Basil Before and After Drying Using GC, GCxGC, and TOFMS</a></h4><ul><li>Poster</li></ul>INTRODUCTIONGC and MS are well-established techniques for the characterization of food, beverage, and flavor samples. Extending the analytical separation to two 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.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.CONCLUSIONSIn 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 in this work were crucial for their determination.

News from LabRulezGCMS Library - Week 42, 2024

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!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you applications by Agilent Technologies, Thermo Fisher Scientific, and Shimadzu and a presentation by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/131">James Little - Mass Spec Interpretation Services</a>!<h4>1. Shimadzu: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_04_ad_0308_en_e9ef3dfd0c.pdf">Ethylene Oxide and 2-Chloroethanol in Various Rice Samples by Dynamic Headspace and GC- MS/MS</a></h4><ul><li>Application</li></ul>User Benefits<ul><li>Simple sample preparation procedure, direct sample analysis</li><li>Sample recovery within 70 % to 130 % without matrix-matched calibration curves</li></ul>IntroductionEthylene 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.ConclusionAn 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.<h4>2. Thermo Fisher Scientific: <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">Supporting exposomics research with the Orbitrap Exploris GC 240 mass spectrometer</a></h4><ul><li>Application</li></ul>What is exposomics?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.1SummaryThe 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.<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>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.<h4>3. Agilent Technologies: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_pesticides_botanicals_captiva_5994_7361en_agilent_53a42de795.pdf">Comparison of Sample Preparation Methods for Pesticide Analysis in Botanical Dietary Supplement Materials</a></h4><ul><li>Application</li></ul>AbstractThis 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 consumables and labor resources. The direct comparison of new method versus old method on actual samples analysis demonstrates acceptable equivalence on reporting results.ConclusionA 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 sample analysis.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.<h4>4. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/131">James Little - Mass Spec Interpretation Services</a>: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/quant_handout_98c5b2fea8.pdf">KnowItAll Quantitative Software for EI GC-MS</a></h4><ul><li>Application</li></ul>Table of content:<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>&nbsp;

News from LabRulezGCMS Library - Week 43, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 28th October 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you applications by Agilent Technologies, Thermo Fisher Scientific, and Shimadzu!<h4>1. Shimadzu: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_00_00095_en_c6eed5e008.pdf">Analysis of Major Psychoactive Compounds in Nutmeg Using GC-MS/MS</a></h4><ul><li>Application</li></ul>AbstractNutmeg is a spice used in a variety of recipes that can be easily purchased by anyone. Among younger people, however, excessive consumption of nutmeg powder for recreational purposes is increasing, causing hallucinogenic effects. However, there are few reports on toxic or comatose-fatal blood levels and their changes over time in cases of nutmeg poisoning. Therefore, an analytical method using GC-MS/MS was devised and applied to a case of nutmeg poisoning in order to determine the blood concentrations of the main psychoactive substances (safrole, myristicin, and elemicin) in nutmeg and their change over time. The limit of detection (LOD) and limit of quantification (LOQ) of the constructed method were 0.14 to 0.16 ng/mL and 0.5 ng/mL (the lowest point of the calibration curve), respectively. Calibration curves showed good linearity, with R2 = 0.996 to 0.997 for all substances in the range of 0.5 to 300 ng/mL. The accuracy for QC (low 1 ng/mL, medium 120 ng/mL, and high 240 ng/mL) and LOQ (0.5 ng/mL) was %RSD 2.4 to 11 % for diurnal variation (n = 5) and %RSD 1.5 to 11 % for diurnal variation (6 days). A systematic error of -2.6 to 2.1 % was obtained.IntroductionNutmeg, the dried seed of Myristica fragrans, has been used as a spice and for medicinal purposes all over the world since ancient times and is widely sold at low prices. Because nutmeg contains safrole, myristicin, and elemicin (Fig. 1) as the major psychoactive compounds, they are sometimes intentionally consumed in large amounts to induce hallucinations or intoxication8)-10). In addition, intoxication by unintentional misuse of nutmeg has recently become a problem. In addition to hallucinogenic effects, too much nutmeg is associated with clinical symptoms such as nausea, vomiting, abdominal pain, agitation, drowsiness, dizziness, tachycardia, blurred vision, dry mouth, and flushing5), 9), 11)-14). However, the majority of nutmeg overdose cases are mild and unlikely to be fatal14), 15). Symptoms of nutmeg poisoning usually begin 2 to 8 hours after ingestion11), 15), 16) and subside within a few days3), 5), 9), 11), 13), 15)-17). Only two deaths worldwide have been linked to the consumption of nutmeg15), 18).In a recent study, biological samples were collected from volunteers who ingested nutmeg powder to identify metabolites of major psychoactive substances19)-23). However, although many cases of nutmeg poisoning have been reported to date, there have been no reports evaluating the blood levels and half-lives of major psychoactive substances, such as safrole, myristicin, and elemicin, during poisoning. Therefore, we developed an analytical method for three psychoactive substances using GC-MS/MS, measured the blood levels of these main substances in patients with nutmeg poisoning, and evaluated their changes over time.ConclusionUsing a MonoSpin® extraction kit in combination with a GC–MS/MS system, a simple method was devised to detect and quantify safrole, myristicin, and elemicin in human serum. This method was validated and applied successfully to a case of nutmeg poisoning. For this patient, the method quantified the time-course changes and half-life of safrole, myristicin, and elemicin in serum. It is believed that this method will help to provide additional blood-concentration data for nutmeg poisoning cases as well as more accurate toxicokinetic parameters.<h4>2. Agilent Technologies: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_fatty_acid_methyl_ester_analysis_8890_gc_fid_luma_5994_7849en_agilent_677241bc1b.pdf">Analysis of 37 Fatty Acid Methyl Esters on the Agilent 8890 GC Using FID and LUMA Detectors</a></h4><ul><li>Application</li></ul>IntroductionThe analysis of fatty acid methyl esters (FAMEs) is used to characterize lipids in foods, including oils, meats, seeds, and other products. The fatty acid composition of fats is a complex mixture of saturated, monounsaturated, and polyunsaturated compounds with various carbon chain lengths.1 Because the roles of fatty acids in the body vary depending on their structure, it is necessary to conduct detailed compositional analyses of the fatty acids contained in foods. The analysis of fatty acid composition in food is standard in many governmental, quality control (QC), and contract research laboratories worldwide.The nutrition labels on food products include much of this information, detailing food composition to help consumers make informed choices.3 Gas chromatography-flame ionization detection (GC-FID) is a commonly used method for analyzing the fatty acid composition in foods. In this application brief, an analysis of a neat 37-component FAME mix standard was conducted using an Agilent 8890 GC system equipped with an FID and LUMA vacuum ultraviolet (VUV) detector. For comparison, several branded oils were also purchased and analyzed.ConclusionThese results show the advantages of using the LUMA detector coupled with an Agilent 8890 GC system and FID for FAMEs testing. By combining the robustness of the FID and the UV spectral power of the LUMA, users can be confident in their results.<h4>3. Thermo Fisher Scientific: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003254_gc_helium_hydrocarbon_oil_index_water_soil_an003254_na_en_4b0ceb0e48.pdf">Dual injection for Hydrocarbon Oil Index (HOI) determination in water and soil with helium carrier gas conservation</a></h4><ul><li>Application</li></ul>GoalThe aim of this application note is to demonstrate the performance of a high-throughput and cost-effective method for the determination of the Hydrocarbon Oil Index (HOI) also known as Total Petroleum Hydrocarbon (TPH), in water and soil samples by using a dual injection configuration and conserving helium gas.IntroductionPetroleum products are complex mixtures of hundreds of hydrocarbon compounds, ranging from light, volatile, short-chained organic compounds to heavy, long-chained, branched compounds. Petroleum hydrocarbons can enter the environment through industrial accidents, spills, or leaks, and as by-products from commercial or private uses. Contamination of water and soil is a growing concern as lighter TPH fractions float in water and form thin surface films, whereas the heavier fractions accumulate in the sediment at the bottom of the water, affecting bottom-feeding fish and organisms. TPH released in soil can evaporate into the air, dissolve into the groundwater, and move away from the spillage area, contaminating the drinking water supplies, or remain bound to the soil particles for a long period, thus reducing the usability of land for development.To protect public health from toxic effects due to TPH exposure, many European countries and the United States have made the determination of the content of mineral oils and petroleum products in water and soils a compulsory requirement for quality certifications. Because there are so many petroleum products, it is not practical to measure each one individually, therefore the total amount of all hydrocarbons found in a sample of soil, water, or air is usually monitored.1The United States Environmental Protection Agency (U.S. EPA), the International Organization for Standardization (ISO), as well as the Italian Institute of Environmental Protection and Research (ISPRA) have published several methods (U.S. EPA 8015 D,2 ISO 16703:2011,3 ISO 14039:2004,4 ISO 9377:20005, ISPRA Doc. N. 46/14,6 ISPRA Doc. n. 04/117) that can be considered when analyzing TPH in water and soil using gas chromatography coupled to flame ionization detection.The Hydrocarbon Oil Index (HOI) represents the total amount of compounds that can be extracted from the sample (potable water, surface water, and wastewater) with a non-polar solvent. The extracted compounds must not absorb on Florisil™ and must elute between n-decane (C10) and n-tetracontane (C40) when analyzed by GC on a non-polar column. Such fraction includes heating oils, diesel fuels, kerosene, lubricants, and transmission fluids.In this work, the Thermo Scientific™ AI/AS 1610 autosampler in the Gemini configuration for simultaneous dual injections combined with the Thermo Scientific™ HeSaver-H2 Safer™ carrier gas saving technology was employed to increase the sample throughput and double the productivity while reducing helium consumption and cost per analysis. Method compliance in terms of sensitivity, recovery (C40/C20 ratio), linearity and precision were evaluated for quantitative assessment of the HOI in water and soil samples.Conclusions<ul><li>The Hydrocarbon Oil Index analysis in water and soil is a routine test for environmental laboratories. Robust solutions offering time- and cost-saving opportunities are key to maintain laboratory efficiency and face increasing workloads.</li><li>The TRACE 1610 GC with a dual channel SSL-FID and the AS 1610 autosampler in the Gemini high-throughput configuration can double the number of samples through simultaneous injections, while Chromeleon CDS allows easy management of instrument control, data processing, and reporting for both channels.</li><li>The system performance exceeds the regulatory requirements in terms of recovery, repeatability, linearity, and limit of quantitation, well below the minimum acceptable hydrocarbon contamination.</li><li>The system robustness helps minimize maintenance for extended instrument uptime with consistent results over longer sequences.</li><li>The innovative HeSaver-H2 Safer technology used on both channels provides a significant reduction of the helium gas consumption, also during sample analysis, extending 4.5-fold the cylinder lifetime and providing a significant cost savings to the laboratory.</li></ul>

News from LabRulezGCMS Library - Week 44, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 4th November 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you applications by Agilent Technologies, Thermo Fisher Scientific, and Shimadzu!<h4>1. Shimadzu: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_04_AD_0307_en_bfb6980383.pdf">Analysis of Ethylene Glycol and Diethylene Glycol in Glycerin, Propylene Glycol and Sorbitol Solutions (Indian Pharmacopoeia Monographs)</a></h4><ul><li>Application</li></ul>User Benefits<ul><li>Brevis GC offers advanced capabilities for the detection of EG and DEG contamination in the raw materials (glycerin, propylene glycol, and sorbitol solutions) used for manufacturing medicinal syrup.</li><li>Brevis GC coupled with the AOC-30i autosampler can obtain highly reproducible results using the proposed workflow.</li><li>The configuration proposed in the application news exceeds the requirement specified in the IP monographs.</li></ul>&nbsp;IntroductionEthylene glycol (EG) and diethylene glycol (DEG) are classified as toxic alcohols. These chemicals are colorless, odorless, and water-soluble. There have been multiple incidents involving the deaths of children due to medicinal cough syrups contaminated with these impurities. These impurities often originated from the raw materials (such as glycerin, propylene glycol, and sorbitol solutions) or excipients used in their formulation (1-2). Substandard and falsified raw materials frequently enter the excipient supply chain, causing significant challenges for drug manufacturers and egulatory bodies. The complexity of the global supply chain, which often involves importing raw materials from various countries, worsened this issue. Therefore, it is crucial to frequently test these raw materials upon receipt to prevent the reoccurrence of such incidents and protect public health.This application news demonstrates the use of GC-FID for analyzing EG and DEG contaminants in glycerin, propylene glycol (PG), and sorbitol solutions (70%) (both crystallizing and non-crystallizing) in accordance with the Indian Pharmacopoeia (IP) monographs. Shimadzu’s Brevis GC, featuring a compact design with a width that is approximately 35% smaller than existing GC models, is used in this experiment (Fig. 1). This design allows the Brevis GC to occupy less space in the laboratory and to be eco-friendly with reduced power consumption, while maintaining analytical performance and enhancing productivity.ConclusionIn this study, the analysis of EG and DEG in three types of raw materials was successfully performed using the compact Brevis GC coupled with AOC-30i. Despite its small size, the Brevis GC demonstrated excellent capability in analyzing EG and DEG impurities in the raw materials according to the IP monographs, making it an ideal and more eco-friendly solution for this application.<h4>2. Thermo Fisher Scientific: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_002866_gc_ms_environment_pesticide_micropollutants_an002866_na_en_4763d5d892.pdf">Improved laboratory productivity with a single GC-MS/MS configuration for multipurpose environmental analysis</a></h4><ul><li>Application</li></ul>GoalThis application note will highlight a single instrument configuration, based on triple quadrupole GC-MS, to perform the analysis of various compound classes commonly monitored in the environment. This will allow laboratories to standardize on a single hardware configuration and hence greatly facilitate laboratory capacity, instrument- and consumables management, as well as streamlining staff training.IntroductionAnalytical testing laboratories play a pivotal role in monitoring common contaminants in different matrices. While data quality and compliance with established regulated methods is key in ensuring a laboratory’s reputation, productivity and fast sample turnover times are equally important to ensure profitable operation.In the field of environmental monitoring, a large variety of compound classes may be required for analysis, including both common and emerging contaminants. For volatile and semi-volatile substances, gas chromatography is the method of choice for separating pesticides, polyaromatic hydrocarbons (PAHs), flame retardants such as polybrominated diphenyl ethers (PBDEs), and others. In many cases, due to previously existing methodologies, samples need to undergo several analyses on different instrument configurations, with either specific consumables, including the analytical column or a dedicated detector. This leads to a variety of protocols and potential instrument setups required in a laboratory, some of which must be run in a dual-column configuration or a confirmation on a separate instrument using a second injection is required.While mass spectrometric detection provides a much higher selectivity than analog detectors, only triple quadrupole systems provide the selectivity needed to effectively leverage selected rection monitoring (SRM) as a tool for method standardization and consolidation. The power of triple quadrupole mass spectrometry can be easily used to modernize existing workflows. Laboratories can reduce their need for instrument-specific consumables and components on-hand to reduce costs and complexity with a single instrument configuration. This application demonstrates the use of a single hardware configuration for the analysis of different environmental contaminants.ConclusionThe utilization of a single configuration GC-MS/MS for multiple environmental methods has been demonstrated in this application note. As well as being able to meet the regulatory requirements for different compound classes, there are advantages to using a single configuration for multiple analysis:<ul><li>Reduction in operation cost, including reduced training needs and centralization of consumables</li><li>Ability to react and be ready to run the required method without lengthy set up or changing instrument analytical column and hardware</li><li>Increase in instrument capacity as all systems can run all methods</li></ul>The Thermo Scientific GC-MS/MS system also increases productivity:<ul><li>The TRACE 1610 GC has a unique module design allowing injectors and detectors to be exchanged by the user and maintenance to be performed rapidly offline. The TSI injector allows a wider range of compound classes with different volatilities to be covered in a single injection. The easy-to-use touch screen provides real-time monitoring of the system and video tutorials for quick adoption.</li><li>The TSQ 9610 GC-MS/MS is equipped with Thermo Scientific™ NeverVent™ technology, which allows the GC column to be exchanged, the ionization source to be removed, and filaments to be removed without the need for breaking vacuum. This allows routine maintenance to be performed in minutes and increases system uptime drastically.</li></ul>In summary, this single GC-MS/MS configuration can greatly simplify the workflows of environmental laboratories and increase efficiency and productivity, reduce costs, and maximize revenue.<h4>3. Shimadzu: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ap_aplnote96_en_5f0a892b7f.pdf">Study on the Mechanism of Early Delivery by Multi-Omics Analysis of Metabolites, Elements and Bacterial Flora in Amniotic Fluid</a></h4><ul><li>Application</li></ul>AbstractA gas chromatograph mass spectrometer (GCMS-TQ™8040 NX) and an energy-dispersive X-ray fluorescence spectrometer (EDX-7200) were used to analyze metabolites (488 components) and elements (78 elements) contained in the amniotic fluid of pregnant women. These data were combined with amniotic fluid microbiota (approximately 250 species of microorganisms) measured using a miniature next-generation sequencer (MinION Mk1C System, Oxford Nanopore Technologies, Inc.) and 16 items of labor data (e.g., neonatal weight) to analyze differences between preterm and normal births. Volcano plot and metabolic pathway analyses were performed using Multi-omics Analysis Package based on the 740 items detected. In this application, we introduce an example of multi-omics analysis conducted by gender and time series.IntroductionPreterm delivery refers to delivery at a gestational age of 22 weeks or less than 37 weeks, which can have a significant impact on the health and development of the newborn and the life of the family. This problem occurs worldwide: in 2020, 1/10 of all births were preterm1) (Fig. 1). Prematurity is the leading cause of early childhood mortality, so there is an urgent need to promote research on preterm birth.However, the global rate of premature birth reduction from 2010 to 2020 was only 0.14 %, indicating that the birth cycle has not improved. It is known that preterm birth is closely related to amniotic fluid, and it is used as a research object in preterm birth2). Amniotic fluid is approximately 500 mL of water, contains fetal urine, sloughed cells, inflammatory substances, etc., and is a valuable source of information for understanding fetal growth and health3). Measuring metabolites in amniotic fluid helps assess the fetus's metabolic activity and nutritional status. Elemental measurements can also determine the extent of fetal development and environmental exposure. It is also essential to measure the bacterial flora in the amniotic fluid. It has been found that about 80 % of preterm births occur in pregnant women who have a chain of bacterial infections from the vagina to the uterus and from the uterus to the amniotic fluid 4).In this study, we used a gas chromatograph mass spectrometer GCMS-TQ8040 NX, an energy-dispersive X-ray fluorescence spectrometer EDX-7200, and a miniature next-generation sequencer MinION Mk1C to measure primary metabolites, elements, and flora in the amniotic fluid of preterm and term pregnant women (Fig. 2). These data were combined with 16 birth delivery data items (e.g., female age, newborn weight, etc.), and the differences in amniotic fluid content between preterm and term births were visualized using Multi-omics Analysis Package.ConclusionAmniotic fluid from 6 pregnant women (3 preterm births and 3 term births) was measured using a next-generation sequencer (MinION Systems, Oxford Nanopore Technologies, Inc.), a gas chromatography-mass spectrometer (GCMS-TQ8040 NX), and an energy-dispersive X-ray fluorescence spectrometer (EDX-7200) to evaluate the intestinal microbiota (approximately 250 species of microorganisms), metabolites (approximately 500 components), and elements (approximately 80 elements). Metabolic pathway analysis was performed using Multi-omics Analysis Package based on approximately 700 items detected.In metabolic pathway analysis, not only the accumulated amount of metabolites, but also the ratio of product/substrate or its reciprocal substrate/product was automatically created in Multi-omics Analysis Package and used as a new variable to be read into class cluster analysis, etc., thereby enabling statistical analysis from a perspective different from the accumulated amount.<h4>4. Agilent Technologies: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/application_allergens_cosmetics_8890_gc_7000e_gc_tq_5994_7523en_agilent_1_efe6a8870d.pdf">Highly Selective GC/TQ Analysis of 57 Allergens in Cosmetic Products</a></h4><ul><li>Application</li></ul><h5>Featuring the Agilent 8890 GC and Agilent 7000E GC/TQ systems</h5>AbstractWith the expansion of the list of potential allergens, cosmetics manufacturers need to identify, quantify, and label the contents in their products. Cosmetic products are complex mixtures, which can be challenging to analyze due to the presence of many compounds that could cause chromatographic and spectral interferences.In this application note, an Agilent 8890 GC with a dual-column setup and an Agilent 7000E GC/TQ provide high selectivity for the analysis of 57 allergen fragrance substances and their relevant isomers in cosmetic products. This GC/TQ method is quickly and easily transferred from an existing gas chromatograph/mass selective detector (GC/MSD) method using Agilent MassHunter Optimizer software. The high selectivity and reliable quantitation of the GC/TQ method increase confidence in data by reducing uncertainty caused by coelution and therefore the risk of false positives and negatives.IntroductionAllergens include diverse compounds, both synthetic and natural, that cause allergic reactions in sensitive people. Allergens can be found in many cosmetic products, including shower gels, soaps, shampoos, creams, makeup, etc. These compounds are often not intentionally added to cosmetics during manufacturing, but are substances contained in the base ingredients that make up the final product. This work focuses on a method to determine allergens commonly found in fragrance substances.Regulating agencies around the world have—and are frequently updating—regulations around allergens in consumer products, like cosmetics and fragrances. In 2012, the European Scientific Committee on Consumer Safety (SCCS) identified 87 fragrance substances that can cause allergies in humans. So, in 2023, the European Commission published Regulation 2023/1545, amending Regulation (EC) Number 1223/2009 of the European Parliament and of the Council, concerning the labeling of allergenic substances in cosmetic products.1 The new regulation expanded the historical list of 26 allergens to 87 compounds.These regulations are not limited to Europe. The Modernization of Cosmetics Regulation Act of 2022 (MoCRA) is the most significant expansion of the U.S. Food and Drug Administration’s authority to regulate cosmetics since the Federal Food, Drug, and Cosmetic (FD&amp;C) Act was passed in 1938.2 These updated laws and regulations help to ensure the safety of cosmetic products. To determine the presence of allergens in cosmetics, a sensitive and selective analytical technique is required, such as analysis by GC/TQ.ConclusionMigrating an established GC/MSD-based allergen analysis to GC/TQ is quick and easy, and it improves method selectivity. The same chromatographic and MS source method parameters, columns, and consumables can be used for the new GC/TQ method. For the new MS acquisition method, Agilent MassHunter Optimizer software can be automated to determine optimal MRM transitions for the GC/TQ method using the SIM ions from the original GC/MSD method. The resulting improved GC/TQ method selectivity increases confidence in data, reducing the risk of false positives and negatives for coeluting target allergens. The new GC/TQ method in this work provides reliable quantitation for the analysis of 57 allergen fragrance substances and their relevant isomers in cosmetic products using an Agilent 8890 GC with an Agilent 7000E GC/TQ.

News from LabRulezGCMS Library - Week 45, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 11th November 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you applications by Agilent Technologies, Thermo Fisher Scientific, and Shimadzu!<h4>1. Agilent Technologies: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_solvents_additives_lithium_battery_8850_gc_5994_7838en_agilent_2c941af653.pdf">Solvents and Additives Analysis in Lithium Battery Electrolytes Using the Agilent 8850 GC System and Applying It to Real Samples</a></h4><ul><li>Application</li></ul>AbstractThe electrolyte is a key component in lithium-ion batteries, playing a vital role in transferring and conducting current between the positive and negative electrodes. The selection and optimization of electrolyte components are important in improving battery performance. Therefore, the analysis of electrolyte composition is an essential task in the lithium battery industry. This application note introduces an analytical method for determining carbonate solvents and additives in lithium battery electrolytes based on the Agilent 8850 gas chromatography (GC) system with a flame-ionization detector (FID). In this study, standard samples were used for method evaluation, and excellent performance results in terms of linearity, reproducibility, and detection limits were obtained. Real samples were run to investigate the impact of high acid and high salt samples on the performance of the entire GC system. Compared to undiluted samples, diluted samples can significantly extend the lifespan of the liner and column.IntroductionThe lithium battery industry is a rapidly growing sector, largely driven by the increasing demand for electric vehicles and renewable energy storage systems. Lithium batteries are known for their high energy density and long cycle life. One of the four key materials in lithium batteries, the electrolyte, has main components including organic solvents, lithium salts, and a small amount of additives. The solvents in the electrolyte, such as ethylene carbonate (EC) or dimethyl carbonate (DMC), determine its ionic conductivity and stability. An optimal blend of solvents can enhance the battery's efficiency and lifespan. Additives are also crucial, as they can improve the electrolyte's performance and safety. For instance, they can suppress the formation of harmful byproducts, enhance the stability of the electrolyte, and improve the interface between the electrolyte and electrode. Therefore, analyzing and identifying the composition of carbonate compounds and additives in the electrolyte of lithium batteries is of great significance for performance study and quality control in the lithium battery industry.An earlier Agilent application note demonstrated the use of the Agilent 5977B single quadrupole gas chromatography/mass selective detector (GC/MSD) system to measure carbonate solvents and additives in the electrolyte. The note detailed the accurate quantification of target compounds and the qualitative analysis of unknown additives or impurities.1 In 2023, another application note was published describing the determination of carbonate and additive compounds in the electrolyte with the Agilent 8860 GC/FID system.2 Compared with GC/MSD, the GC/FID configuration is easier to use and more cost-effective for users. It is very suitable for laboratories that only need to quantify target compounds and do not need to detect unknown substances. This application note was developed based on the latest small-size, high-performance 8850 GC/FID system. With an effective analytical method established, the impact of running a large number of real samples on the overall GC system performance was examined, particularly the effects of the consumables on the GC inlet and the lifespan of the column.ConclusionThis application note introduces an analytical method for determining carbonate solvent and some additive compounds in lithium battery electrolytes based on an Agilent 8850 GC system with FID. The performance results for the linearity, repeatability, and detection limit of 13 target compounds indicate the outstanding sensitivity and reliability of this system. By running undiluted real samples, the impact of high-salt, high-acid samples on the entire system was explored. This study also demonstrates that even after more than 400 runs, the whole system can still maintain excellent stability after the real samples have been diluted 100x. Injecting diluted samples can ensure that the system operates at its best performance and greatly extend the life of consumables. In summary, this method using the 8850 GC system with FID provides an easy-to-use, cost-effective, and stable platform for electrolyte analysis.<h4>2. Agilent Technologies: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_luma_multichannel_vacuum_ultraviolet_detector_5994_7848en_agilent_db7e560ba8.pdf">LUMA Multichannel Vacuum Ultraviolet Detector on an Agilent 8890 GC</a></h4><ul><li>Application</li></ul>IntroductionThe LUMA multichannel vacuum ultraviolet (VUV) detector is a unique gas chromatography (GC) detector that covers a wide range of applications such as petrochemical, environmental, food, and pharmaceutical analysis. The LUMA detector is considered a universal detector with high sensitivity and a large linear range. Similar to other UV-Vis methodologies, Beer's Law is the detector's guiding principle of quantitation, making the LUMA a concentration-based detector.The LUMA operates across the electromagnetic spectrum, from the VUV region at 118 nm to the visible light region at 1,050 nm. Light is generated by a specialized deuterium lamp that is housed within the detector box. This light is then collimated by a fixed mirror and directed through a heated flow cell, where it interacts with the analytes. A photodiode array captures the transmitted light and converts it into an electrical signal. For ease of use, this signal is divided into 12 bands, spanning wavelengths from 118 to 1,050 nm, based on discrete energy levels, as shown in Figure 1.In this application brief, the LUMA detector was paired with an Agilent 8890 GC and Agilent J&amp;W DB-1 column to demonstrate the analysis capabilities of the system.ConclusionThe LUMA multichannel VUV detector and Agilent 8890 GC equipped with an Agilent J&amp;W DB-1 column together yield a wide range of linearity, high area repeatability, excellent peak resolution, and Gaussian peak shape. With the combination of the VUV spectral data and peak retention time, users can confidently identify the analytes in the sample.<h4>3. Thermo Fisher Scientific: <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">Supporting exposomics research with the Orbitrap Exploris GC 240 mass spectrometer</a></h4><ul><li>Case study</li></ul><blockquote>“Our objective is to characterize the environment on a larger scale and to better understand the exposures that occur in human populations to mixtures of thousands of chemicals.”– Associate Professor Douglas Walker, Emory University, Gangarosa Department of Environmental Health, Atlanta, GA, USA</blockquote>What is exposomics?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.SummaryThe 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. High-resolution, full scan mass spectrometry using Orbitrap technology provides a solution for:<ul><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>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.<h4>4. Shimadzu: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00742_en_0006c6dd46.pdf">Evaluation of Aroma Characteristics Using the Smart Aroma Database - Simple Calculation of OAV</a></h4><ul><li>Application</li></ul>User Benefits<ul><li>The Smart Aroma Database’s semi-quantitative function (SQF) can be used to calculate approximate quantitative values.</li><li>The SQF can calculate the Odor Activity Value, which evaluates the contribution of aromatic compounds to the overall aroma.</li><li>The SQF can be used only by preparing two types of designated sensitivity-correcting reagents</li></ul>IntroductionAroma is an important factor in determining the palatability of foods and beverages. Aromas are made up of many compounds, and the concentration of compounds at which are perceived as an aroma varies based on compounds. To determine the extent to which the constituent compounds contribute to an aroma, it is crucial to establish if they are present in concentrations that exceed the sensory threshold.The Smart Aroma Database features a semi-quantitative function (SQF) that enables users to calculate approximate quantitative values (semi-quantitative concentrations) of an identified compounds without using a standard sample, so using the SQF enables more efficient workflows during quantitative analysis of aroma characteristics.One indicator for evaluating the contribution of a particular aromatic compound to the overall aroma is the Odor Activity Value or OAV, which is calculated by dividing the aroma compound concentration by its sensory threshold value. However, calculating the OAV can be labor-intensive because it involves the following three steps: (1) identifying compounds using qualitative analysis, (2) generating a calibration curve and performing quantitative analysis, and (3) setting the sensory thresholds. Therefore, this study investigated the feasibility of efficiently evaluating aroma characteristics using the Smart Aroma Database’s SQF.ConclusionThe results of this study demonstrate that using the Smart Aroma Database enables efficient calculation of OAV. The Smart Aroma Database supports the quick acquisition of data required for aroma analysis

News from LabRulezGCMS Library - Week 46, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 18th November 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you applications and posters by Agilent Technologies, Thermo Fisher Scientific, Metrohm, and Shimadzu!<h4>1. Agilent Technologies: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/5991_9356_EN_590f86441b.pdf">Determination of Carbonate Solvents and Additives in Lithium Battery Electrolyte Using the Agilent 5977B GC/MSD</a></h4><ul><li>Application</li></ul>AbstractThis application note describes a method for determining carbonate solvents and additives in lithium battery electrolyte using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5977B">Agilent 5977B</a> single quadrupole gas chromatography/mass selective detector (GC/MSD). In this method, direct liquid injection is adopted. At a split ratio of 20:1, the target compounds achieved good linearity in a concentration range of 10–500 mg/L. This method has excellent reproducibility, and the instrument detection limits (IDL) for all of the 15 target compounds analyzed were below 1.3 mg/L. During the analysis of the actual electrolyte samples, diluted injection can be used to accurately quantify the target compounds and qualitatively identify unknown additives or impurities.IntroductionLithium battery electrolyte is the carrier of ion transport in a lithium battery, which is generally composed of lithium salt and organic solvent. In the electrolyte, the commonly used lithium salt is LiPF6 , and the solvent is a binary, ternary, or multinary system composed of a mixture of cyclic carbonates and chain carbonates. Selecting the right organic electrolyte is the key to achieving a higher energy density, a longer cycle life, and greater battery safety. Lithium battery manufacturers also add specific additives to extend battery life. Therefore, studies on the composition of lithium battery electrolyte play an important role in the development of new lithium batteries.GC/MS analysis is commonly used in the studies on lithium battery electrolyte, and can accurately and quantitatively analyze the major components of the organic solvent in the electrolyte. Meanwhile, the strong qualitative capacity of mass spectrometry can also qualitatively identify and analyze unknown additives and impurities.This application note describes the method for determining carbonate and carboxylate solvents and additives in lithium battery electrolyte using the 5977B GC/MSD. In regard to the fact that LiPF6 , the main component of the electrolyte, is unstable and can easily decompose, diluted injection was adopted, which ensured good sensitivity, linearity, and reproducibility.ConclusionIn this application note, a method for analyzing carbonate solvents and additives in lithium battery electrolyte was developed with an Agilent 7890 GC and Agilent 5977B GC/MSD. The method is easy to use, and can achieve great separation, a wide linear range, and excellent reproducibility and sensitivity for various components in the electrolyte, making it very suitable for qualitative and quantitative analysis of organic solvents, additives, and impurities in lithium battery electrolyte.<h4>2. Shimadzu / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/292">AOAC</a>: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Th_P264_ASMS_poster_pesticide_GC_MSMS_beb4879814.pdf">Simultaneous Analysis of Pesticides in Food With GC-MS/MS Using Hydrogen Carrier Gas</a></h4><ul><li>Poster / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Th_P264_ASMS_poster_pesticide_GC_MSMS_beb4879814.pdf">AOAC</a></li></ul>IntroductionIn GC-MS/MS analysis, helium gas is generally used as the carrier gas; however, in recent years the shortage of supply and the soaring price of helium gas have resulted in a need to pivot to other options. To address this problem, hydrogen gas is being used as an alternative carrier gas. The characteristics of hydrogen gas are different from those of helium gas, however, and methods using helium gas must be adjusted to appropriate conditions for hydrogen gas. We have developed a quantitative analysis method for 216 pesticides with GC-MS/MS using hydrogen gas. Using this method, good recovery results were obtained in food samples.ConclusionsUsing hydrogen gas as an alternative carrier gas, we simultaneously analyzed 216 food-borne agrochemicals using an ultra-sensitive triple-quadrupole mass spectrometer <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-TQ8050+NX">GCMS-TQ8050 NX</a> combined with AOC-30i and AOC-20s U as injectors.Good recovery rate within 70 ~ 120% were obtained for 70% to 74% of the compounds. This system enables simultaneous analysis of multiple pesticides with high sensitivity and accuracy.<h4>3. Thermo Fisher Scientific / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/170">RAFA</a>: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/PFAS_analysis_strategy_story_direct_injection_DLLME_LC_MS_MS_LC_Orbitrap_GC_Orbitrap_7592743c1a.pdf">PFAS analysis strategy story – direct injection, DLLME, LC-MS/MS, LC- Orbitrap / GC-Orbitrap</a></h4><ul><li>Poster / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/170">RAFA</a></li></ul><h5>Abstract</h5>Purpose: This work summarizes key components of PFAS analysis. The choice between direct injection and automated sample preparation depends on the instrument's dynamic range, detection limits, and matrix complexity. Complex matrices like waste/industrial water, soil, food, and biological samples require specific preparation techniques to mitigate matrix effects and ensure accurate quantification. Techniques such as Dispersive Liquid-Liquid Microextraction (DLLME) can significantly improve concentration factors and reduce matrix interference, enhancing overall method performance. Additionally, the choice of the analyzer is a critical consideration.Methods: Direct injection of water sample was performed on Thermo Scientific TSQ Altis Plus triple quadrupole mass spectrometer. For those sample prepared with automated dispersive liquid-liquid microextraction (DLLME), acquisition was performed on a Thermo Scientific <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Orbitrap+Exploris+MX">Orbitrap Exploris MX</a> high resolution mass spectrometer.Results: The methods presented achieves high-level sensitivity for PFAS analysis in drinking water, detecting compounds in the low ng/L range. Using DLLME, 56 PFAS compounds were quantified to low part per trillion levels from just 15 mL of sample. With a FAPAS®-Drinking Water proficiency test, we validated the three strategies for PFAS analysis: direct injection on TSQ Altis Plus and the DLLME extract injected on both Orbitrap Exploris MX and Thermo Scientific Orbitrap Exploris GC.<h5>Conclusions</h5><ul><li>Compared to traditional SPE workflows, direct injection improves sample throughput in laboratories by significantly reducing the required sample preparation.</li><li>The DLLME method is a promising technique for extracting and pre-concentrating PFAS from drinking water and various other matrices. Its reduced sample volume facilitates easier handling, transportation, and storage.</li><li>Both methods lower costs and environmental impact due to minimal solvent usage and the elimination of filters or SPE cartridges.</li><li>The ease of use and robustness of both LCMS methods are based on fixed configuration including SOP with detailed hardware and consumables, a complete acquisition and processing method with customized view settings and reports, and all data handling performed with Chromeleon CDS 7.3.2.</li></ul><h4>4. Metrohm: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_nir_121_download_0bb1185dc9.pdf">Water content in propylene glycol monomethyl ether (PGME)</a></h4><ul><li>Application</li></ul><h5>Water determination possible within seconds using NIRS</h5>Propylene glycol monomethyl ether (1-methoxy-2-propanol, or PGME) is one of many glycol ether solvents with a wide variety of applications. It is used as an intermediate and in formulations for industrial, professional, or consumer applications, mainly in surface coatings, inks for printing, cleaning solutions, deicing/anti-icing formulations, and agrochemical purposes. It is also used as an extractant and as a coalescing agent and flow improver in water-based paints.Water in propylene glycol methyl ether is usually measured by Karl Fischer (KF) titration which requires chemicals and takes about five minutes per determination. This Application Note describes how near-infrared spectroscopy (NIRS) can be used as a faster and more cost-efficient alternative for water determination in PGME.CONCLUSIONThis Application Note demonstrates the feasibility to determine a key parameter for the quality control of propylene glycol monomethyl ether (water content) with NIR spectroscopy. The main advantages of NIR spectroscopy over wet chemical methods are that running costs are significantly lower and time-to-result is significantly reduced. Additionally, no chemicals are required, and the technique is non-destructive to samples.

News from LabRulezGCMS Library - Week 47, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 25th November 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you applications and other documents by Agilent Technologies, Thermo Fisher Scientific, Shimadzu, and a poster from Analytica by LECO!<h4>1. Thermo Fisher Scientific: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/AN_003378_Determination_of_sulfur_containing_compounds_formaldehyde_and_organic_halides_in_hydrogen_37d3ef50c9.pdf">Determination of sulfur-containing compounds, formaldehyde, and organic halides in hydrogen for proton-exchange membrane fuel cell vehicles</a></h4><ul><li>Application</li></ul>GoalThe goal of this application note is to demonstrate a suitable analytical method that can be applied for the determination of sulfur-containing compounds, formaldehyde, and organic halides in hydrogen used for proton-exchange membrane fuel cell vehicles in compliance with the Chinese regulation (GB/T 37244-2018) by using thermal desorption coupled to gas chromatography-mass spectrometry and sulfur chemiluminescence detection (SCD).IntroductionThe past energy crisis and global warming led researchers to find alternative cleaner and emission-free energy sources. Hydrogen has been identified as a very promising energy carrier or fuel due to its exceptional energy per mass content. The proton-exchange membrane fuel cell (PEMFC) has garnered considerable attention and represents a breakthrough technology for automotive applications due to its capability to convert hydrogen and oxygen into electricity with only water as a by-product. Studies have shown that impurities such as CO, CO2, NH3, formaldehyde, halogenated compounds, and sulfur-containing compounds in hydrogen can cause serious damage to the performance of PEMFC by reducing its service life. Therefore, an accurate assessment of hydrogen purity is extremely important. This application note is focused on the determination of sulfur-containing compounds, formaldehyde, and organic halide impurities in hydrogen gas.ConclusionThe results obtained in this study demonstrated that the Markes UNITY–CIA Advantage-xr pre-concentrator combined with the TRACE 1610 GC equipped with the SCD detector and connected to an ISQ 7610 single quadrupole mass spectrometer provides a highly performing solution for selective and sensitive analysis of some critical hydrogen impurities in compliance with the requirements of the Chinese regulation.<ul><li>R2 values were ≥ 0.995 for all the investigated compounds with linear ranges from 0.1 to 10 nmol/mol for sulfur-containing compounds, from 1 to 400 nmol/mol for formaldehyde, and from 1 to 100 nmol/mol for organic halides, with RSD of response factors well below the acceptance limit of 30%.</li><li>LODs calculated as 3.143 × S0 resulted close to 0.01 nmol/mol for sulfur-containing compounds, 0.04 nmol/mol for formaldehyde, and between 0.06 and 0.095 nmol/mol for organic halides.</li><li>Peak area repeatability was &lt;12% for all the target analytes.</li></ul><h4>2. Shimadzu: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00745_en_c333797ed9.pdf">Analysis of Diethylene Glycol in Glycerin Using Brevis GC-2050</a></h4><ul><li>Application</li></ul>User Benefits<ul><li>The compact Brevis GC-2050 allows for high-throughput analysis by increasing the number of operational units in the lab.</li><li>Despite its small size, the Brevis GC-2050 achieves uncompromised analytical performance, enabling the analysis of concentrated glycerin in compliance with pharmacopeial standards.</li></ul>IntroductionIn response to the issue of contamination in pharmaceuticals and toothpaste with diethylene glycol, certain parts of the Japanese Pharmacopoeia were revised through Ministry of Health, Labour and Welfare Notification No. 32 (February 21, 2008). In Application News G259 “Analysis of Diethylene Glycol in Glycerin,” a measurement example conforming to the pharmacopoeial requirements is introduced using GC-2010. While each country has its own official methods, this application conducted measurements on a Brevis GC-2050 under conditions where the Split/Splitless injection unit (SPL) temperature was set higher, taking into consideration that the sample component has a high boiling point, with reference to the Japanese Pharmacopoeia.ConclusionA sample was prepared for the analysis of concentrated glycerin as described in the Japanese Pharmacopoeia, and the analysis was conducted by the condition specified in the Japanese Pharmacopoeia. Good separation and reproducibility were confirmed.<h4>3. Agilent Technologies: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ebook_gcms_faq_5994_7643en_agilent_d81a1e0189.pdf">GC and GC/MS Frequently Asked Questions</a></h4><ul><li>Guide</li></ul>Table of ContentsIn this eBook, you’ll find answers to the questions that Agilent technical experts hear most often from our GC and GC/MS customers. To instantly access the information you need, click the following links or use the navigation tabs at the bottom of each page.General Knowledge<ul><li>How does chromatography work?</li><li>Why is GC column polarity important?</li><li>What is the significance of GC column dimensions?</li><li>What are the basic principles and mechanisms of GC/MS?</li><li>How do chemical and electron impact ionization differ?</li><li>What is the difference between standard, mass spec, and Ultra Inert columns?</li><li>What is headspace and how does it work?</li><li>What is the difference between split and splitless?</li><li>How do I choose the right carrier gas for my detector?</li><li>What should I consider when using hydrogen as an alternate to helium carrier gas?</li><li>How does the Agilent HydroInert source preserve spectral fidelity with hydrogen carrier gas?</li><li>What solvent is best for liquid injection on GC/MS?</li></ul>Maintenance<ul><li>How often should I change columns?</li><li>How often should I change liners?</li><li>How do I check for leaks?</li><li>When should I replace the filaments?</li><li>Can preslit vial cap septa prevent septa leakage into the inlet or sample?</li><li>I use the MS with complex matrices every day. Should I tune daily or weekly?</li><li>What chemicals should I use to perform a standard instrument check?</li><li>When replacing and conditioning a column, should I install it into the MS?</li><li>How does JetClean maximize instrument uptime and productivity?</li><li>How do I prevent loss of column efficiency and resolution?</li></ul>Method Development and Optimization<ul><li>How do I develop methods in MRM/SRM mode?</li><li>How do I select an internal standard (ISTD) for my GC/MS analysis?</li><li>How do I select the right MSD for my sample or analytical requirements?</li><li>How do I choose the right mass spectrometer?</li><li>What are the rules of thumb for choosing an inlet liner?</li><li>What is a good approach for analyzing unknown compounds?</li><li>Can I quantify GC/MS results in either scan or SIM mode?</li></ul>Troubleshooting<ul><li>How do I improve peak shape?</li><li>How do I improve resolution?</li><li>How do I improve signal-to-noise levels?</li><li>What causes spiking and how do I avoid it?</li><li>What can cause a negative peak in GC/MS?</li><li>Where do ghost peaks come from?</li><li>What can cause split peaks, peak tailing, and drifting baselines?</li><li>Why is water difficult to observe in GC and how can it be quantified using GC?</li><li>How do I determine the source of contamination within my chromatograph?</li></ul><h4>4. LECO / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/295">Analytica</a>: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Cannabis_Characterization_BT_G_Cx_GC_SA_CK_ANALYTIKA_SA_24_LPSS_317_edc6c55493.pdf">Cannabis Characterization Using GC and GCxGC with Time-of-Flight Mass Spectrometry</a></h4><ul><li>Poster (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/295">Analytica</a>)</li></ul>Cannabis is a complex plant containing a variety of naturally occurring organic compounds in a wide range of concentrations, as well as xenobiotics (i.e., polyaromatic hydrocarbons, pesticides, etc.). Among these constituents, the cannabinoids, terpenes, and terpenoids are commonly recognized for their therapeutic properties. This plant has two main subspecies—Cannabis indica and Cannabis sativa—that can be differentiated by their different physical characteristics. Indica-dominant strains are short plants with broad, dark green leaves and have higher cannabidiol content than the sativa plants in which THC content is higher. Sativa-dominant strains are usually taller and have thin leaves with a pale green colour.The legalization of this drug has also led to an increasing amount of consumer products being infused with CBD, marketed and sold for medicinal and recreational purposes. Thus, it is imperative that we are able to determine its total composition as this is important in determining potency and medical effectiveness (Entourage Effect). In this study, we use GC with Time-of-Flight Mass Spectrometry (TOF-MS) to assist in the determination of its risks and benefits. This powerful tool provides chromatographic separation with high-quality deconvoluted mass spectral data allowing for comprehensive analysis, identification, and quantification of targeted and non-targeted analytes.ConclusionGCxGC-TOFMS facilitates compound identification, Library searches, and Mass ∆ calculations. Data was used to develop maps for quantitative analysis, cannabis classification, and sample comparison. Cannabis comparison via statistical processing was performed using ChromaTOF Tile (based on Fisher ratios) and could also perform PCA analysis.

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16th Multidimensional Chromatography Workshop (MDCW)

Sample Preparation Seminar

ISC 2026 - the 35th International Symposium on Chromatography

PFAS: Navigating regulations, challenges, risk management and testing in the food supply chain

Power List Perspectives on The Future of Analytical Science

Raw Material Identification in Pharmaceutical Application