Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 5th January 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies, EST Analytical and Shimadzu!<h3>1. Agilent Technologies: Ultrasensitive and Powerful GC/MS/MS for Analyzing Multipesticides in Black Pepper and Dried Tea</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_gcms_ms_black_pepper_5994_8783en_agilent_4b1cc85920.pdf">Full PDF for download</a></li></ul>Pesticides play a vital role in safeguarding crops and are indispensable in most farming settings to secure high yields.1 Regulatory authorities, including the Codex Alimentarius and the European Commission mandate the monitoring and reporting of pesticide residues found in or on food product.2 The analysis of pesticides in food faces several major challenges, such as the variety of pesticide classes, the complexity of different food matrices, the effects of these matrices, and the detection of target analytes at low&nbsp;concentrations.3&nbsp;According to the EU's SANTE/11312/2021 guidelines, black pepper and dried tea are considered among the difficult or unique commodity matrices for multiresidue pesticide analysis.4 The matrix interferences are complex and diverse, including carbohydrates, fats, piperine, terpenoids (for black pepper)5 , and caffeine (in dried tea). "For dried tea, matrix interferences include polyphenols, pigments, polysaccharides, alkaloids, free amino acids, high caffeine levels, and&nbsp;catechins".6&nbsp;In addition to affecting the analyte signals, matrix interferences can cause the system to become contaminated more quickly. This leads to a rapid decline in the sensitivity of the analytical instrument, and necessitates frequent maintenance, significantly reducing laboratory productivity. These are the current challenges faced by laboratories when analyzing pesticides in difficult and complex matrices.&nbsp;To overcome these challenges, Agilent offers a robust solution with its backflush and JetClean self-cleaning ion source technologies integrated into the high-sensitivity 7010B GC/TQ system. Backflush technology prevents high‑boiling contaminants from reaching the detector, reducing the need for frequent maintenance and extending column life.7 This ensures consistent performance and minimizes downtime, thereby enhancing laboratory productivity.&nbsp;With JetClean technology, your lab can significantly increase instrument uptime, as fewer manual cleanings are needed, maximizing productivity. This technology helps maintain data quality by ensuring a clean ion source, which guarantees run-to-run reproducibility. Additionally, JetClean enhances operator convenience through automated cleaning, requiring virtually no user intervention.8 Combined with the ultrasensitivity of the 7010B GC/TQ system, these technologies provide precise and reliable analysis of pesticides in complex matrices such as black pepper and dried tea. Agilent’s comprehensive approach effectively mitigates matrix interferences, preserves instrument sensitivity, and significantly boosts overall efficiency in pesticide analysis.This application note describes a detailed approach for the simultaneous quantification of 284 pesticides in black pepper and dried tea samples. Agilent's solution for complex matrices demonstrates the sensitivity of the 8890 GC/7010B GC/TQ and confirms its robustness when using backflush and JetClean techniques.&nbsp;<h4>Experimental and chemicals</h4><h5>GC/TQ parameters&nbsp;</h5>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890">8890 GC</a>/<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7010B">7010B GC/TQ systems</a> (Figure 1) were optimized for wide calibration range performance. Equipped with an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7693A">7693A automatic liquid sampler </a>and a 150-position tray, the GC operated in temperature‑programmed splitless injection mode with a multimode inlet. Detailed instrument parameters can be found in Table 1. Data acquisition was in dynamic MRM (dMRM) mode, enabling analysis of 284 pesticides with 1233 MRM transitions and up to 74 concurrent MRMs (see Figure 2). Retention time was synchronized with the Agilent Pesticides and Environmental Pollutants (P&amp;EP) 4.0 MRM Database, streamlining method&nbsp;setup.<h4>Conclusion&nbsp;</h4>This application note describes an approach for the analysis of multipesticides in complex and distinctive matrices, including black pepper and dried tea using the Agilent 8890 GC/7010B GC/TQ. The comprehensive solution successfully addresses the challenges encountered when analyzing multipesticides in difficult matrices such as black pepper and dried tea. The high sensitivity of the 7010B GC/TQ enables the application of deep dilution methods. Additionally, the use of backflush technology combined with the Agilent JetClean self-cleaning ion source ensures system stability and robustness, enhancing the operational efficiency of testing laboratories and reducing equipment downtime during&nbsp;maintenance.<h3>2. EST Analytical: Static Headspace Sampling of Volatile Organic Compounds</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Flex_8260_by_Static_Headspace_7ddf2e4157.pdf">Full PDF for download</a></li></ul><h4>Discussion</h4>Purge and trap sampling involves purging the VOCs out of the matrix and trapping the analytes onto an analytical trap, the trap is then desorbed to the GC/MS. This process has a number of pros and cons. On the positive side, purge and trap is more sensitive. It is also the recommended sampling technique for USEPA Methods. Furthermore, the advent of autosampling systems has simplified sample preparation. However, purge and trap does have some negatives, including active sites, worries about foaming samples, and trap degradation.Static headspace sampling, on the other hand, is much simpler than purge and trap sampling. For this sampling technique, the sample is brought to equilibrium and a portion of the headspace is transferred to the GC/MS for separation and analysis. The simplicity of this technique is a definite pro. Moreover, this sampling process does not develop active sites, has no need for an analytical trap and the linear calibration range can be much higher than that of purge and trap sampling. Conversely, samples need to be manually prepped thus, losing their sample integrity. Additionally, the detection limits are higher for a number of compounds. Finally, some of the analytes do not partition into the headspace well enough and need method optimization.&nbsp;In recent years, GC/MS systems have become much more sensitive. The advent of SIM/Scan acquisition techniques has made low level detection a much simpler proposition. This analysis will focus on the headspace sampling and analysis of over 50 volatile organic compounds.&nbsp;<h4>Experimental</h4>The sampling system used for this analysis was the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2162">EST Analytical FLEX autosampler</a> fitted with a 2.5ml headspace syringe. An <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7890+GC">Agilent 7890 GC</a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5975">5975 MS</a> were used for separation and analysis. The GC was configured with a Restek Rxi 624 Sil MS 30m x 250mm x 1.4µm column and a SKY 2mm x 6.5 x 78.5 splitless inlet liner. The MS was run in SIM/Scan mode. Refer to Tables 1 and 2 for the analysis and sampling parameters.<h4>Conclusions</h4>Static headspace sampling in conjunction with SIM/Scan acquisition proved to be a good alternative to purge and trap sampling for a number of USEPA Method 8260 compounds. The curve %RSD results showed the linearity of the curve to meet the USEPA Method 8260 requirement of 15% or better. The method detection limits of all the compounds tested also passed method requirements. Lastly, the precision and accuracy of the autosampling and analysis system was excellent, with the average precision at less than 6% RSD and the average %recovery at just over 101%.<h3>3. Shimadzu: Aromatic Component Analysis of Gasoline According to ASTM D5580 Using the Brevis GC- 2050 Gas Chromatograph</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01024_en_039b304288.pdf">Full PDF for download</a></li></ul>Aromatics, such as toluene and xylene, are sometimes added to gasoline to improve the octane number. Measuring the levels of these aromatics is essential for quality control in gasoline production. It is also important for environmental protection, in particular, for reducing emissions of benzene, a hazardous substance, as well as for sustainable energy use that reduces the environmental impact of gasoline while maintaining its performance.ASTM D55801) is a standard test method that uses gas chromatography to measure aromatics in gasoline. Gasoline aromatics can be separated more effectively by switching between two gas chromatography columns of different polarities and venting non-aromatic components from the system. This Application News describes using the Brevis GC2050 gas chromatograph to determine aromatics in gasoline by applying ASTM D5580.<h4>Equipment Configuration and Analytical Conditions&nbsp;</h4>The system comprises a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050">Brevis GC-2050 gas chromatograph</a>, an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=AOC-30">AOC-30</a> for sample injection, and a VB-30-S heated valve box. Aromatics were determined using two sets of Analysis Conditions that were tailored to measure different components (Table 1). Note that the timing of the flow path switching and other conditions needs to be adjusted according to the columns being used and the operating environment.<h4>Determining Aromatics in Gasoline&nbsp;</h4>A gasoline sample was prepared by adding 2 to 10 wt% aromatics and 10 wt% of an internal standard (2-hexanone) and then analyzed under Analysis Conditions A and Analysis Conditions B. Fig. 2 shows the chromatograms obtained under each set of Analysis Conditions. Despite gasoline containing large amounts of hydrocarbons, oxygenates, and other impurities, these impurities did not appear as peaks in the chromatograms, and only the aromatics added to the gasoline were detected. These results verify the utility of using flow path switching to effectively utilize the characteristics of two different columns.<h4>Conclusion&nbsp;</h4>A flow path switching valve was installed on a Brevis GC-2050 gas chromatograph to enable the determination of gasoline aromatics (benzene, toluene, ethylbenzene, p/m-xylene, oxylene, and C9+ aromatics) according to ASTM D5580.&nbsp;This system can switch between different columns during analysis to determine specific aromatics from among the many compounds present in gasoline. Analysis was performed under two sets of conditions, each using different flow path switching times. This method met the requirements for linearity and reproducibility described in ASTM D5580. The timing of flow path switching can also be adjusted to allow the targeted determination of oxygenates in gasoline. The ability to perform multiple analyses on a single system means the Brevis GC-2050 offers even greater functionality as a compact gas chromatograph.

News from LabRulezGCMS Library - Week 02, 2026

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 12th January 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies, Shimadzu and brochure by Thermo Fisher Scientific!<h3>1. Agilent Technologies: Volatile PFAS in Cosmetics Using PAL3 Coupled with Triple Quadrupole GC/MS</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_pfas_cosmetics_pal3_gc_tq_5994_8752en_agilent_52b56afd36.pdf">Full PDF for download</a></li></ul>Per- and polyfluoroalkyl substances (PFAS) are a large family of synthetic organic chemicals containing carbon chains where most or all the hydrogen atoms are replaced by fluorine. Due to the strength and stability of the carbon‑fluorine bond, PFAS tend to be very stable and chemically inert, which makes them both very useful in various applications and resistant to degradation. This persistence causes environmental contamination and bioaccumulation in humans and wildlife; as a result, PFAS are often labeled "forever chemicals".1&nbsp;In cosmetics, PFAS are valued for their functional properties, including emulsification, stabilization, and water or sweat resistance. Despite these benefits, concerns have grown over their safety due to direct exposure from repeated use through skin, eyes, and mouth. The OECD's 2024 report underscores the risks associated with PFAS in cosmetic formulations, particularly given their potential for long-term health and environmental impacts.2,3 Regulators around the world are taking decisive steps to ban or restrict PFAS in cosmetics. For example, in the EU, various types of PFAS have been regulated under REACH and POPs regulations that span most industries, including cosmetics.4,5 EU Cosmetics Regulation (EC) No. 1223/2009 has listed the five types of PFAS as the substances prohibited.6 A broader EU-wide ban is underway, with France having passed its own ban on PFAS in cosmetics effective 1 January 2026, as part of a larger proposal to ban PFAS in consumer products.7,8 The US has not banned the use of PFAS in cosmetics at the federal level yet. The USFDA has been evaluating the use of PFAS in cosmetics under the authority of the Cosmetic Regulatory Modernization Act (MoCRA), and is expected to release a report on safety and risk by the end of 2025.9 Although the federal government is still on the sidelines, many states in the US have been rapidly enacting or implementing the ban and reporting requirements for PFAS in cosmetics, with effective dates ranging from 2025 to 2032.10-13 Canada has proposed a ban on the use of PFAS in various consumer products, including cosmetics.14 South Korea has added 12 PFAS into a restricted substances list for cosmetic products in 2024.15 The Environmental Protection Authority (EPA) of New Zealand has officially announced a ban on the use of PFAS in cosmetic products, effective from 31 December 2026.16&nbsp;As regulations surrounding PFAS continue to evolve, developing a sensitive and robust analytical method is crucial to meet stringent guidelines. The objective of this study was to demonstrate a fully automated workflow using PAL3&nbsp;Series&nbsp;2 RTC autosampler coupled with an Agilent 7010D triple quadrupole GC/MS to quantify more than 30&nbsp;volatile PFAS analytes in cosmetics. The automation method performance includes sensitivity, accuracy, and precision studies.<h4>Experimental</h4><h5>Instrumentation&nbsp;</h5>An <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC">Agilent 8890 GC </a>with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7010D">7010D GC/TQ</a> equipped with HES 2.0 ion source, coupled with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=PAL3">PAL3</a> Series 2 RTC autosampler, was used for this analysis. An MMI inlet and splitless liner (part number 5190-2293) were used and chromatographic separation was performed using an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=J%26W+DB-624">Agilent J&amp;W DB-624</a>, 30 m × 0.25 mm, 1.40 μm column (part number 122-1334UI). The instrument setup is shown in Figure 1. The acquisition method for 34 native PFAS and four ISTDs, including GC condition, TQ parameters were described in a previous application note.17<h4>Sample analysis&nbsp;</h4>Seven cosmetic samples from various brands—including foundations, lipsticks, and mascaras—were analyzed. One liquid foundation was designated as a quality control (QC) sample, while the remaining six were treated as unknowns. According to the OECD report published in 2024, cosmetic products such as shampoo, eye makeup, foundation, facial cleansers, lipsticks, and lip glosses may contain PFAS, which serve functional or performance-enhancing roles.2,19 In this study, several PFAS compounds were detected above the method detection limit (MDL) in the unknown samples, including 10:2 FTOH, MeFHxSA, MeFOSE, EtOSE and 1H,1H‑perfluorooctyl acrylate. The results also demonstrated that the automated workflow is effective for PFAS extraction and quantitation in cosmetic matrices.<h4>Conclusion&nbsp;</h4>An accurate and robust automated workflow was successfully developed using the PAL3 Series 2 RTC autosampler coupled with the Agilent 7010D GC/TQ system for the analysis of volatile PFAS in cosmetic products. Most PFAS targets achieved an LOQ of 50 µg/kg and MDL below 1.5 µg/kg, with recoveries falling within the acceptable range of 60% to 110%. These results demonstrate excellent extraction efficiency and reliability of the automated workflow. Furthermore, automation significantly reduces human error and enhances productivity, while maintaining high sensitivity in PFAS analysis.<h3>2. Shimadzu: Simplifying Multicomponent Quantitative Analysis of Organic Compounds with the Polyarc Microreactor for GC</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00945_en_9f7adeedc4.pdf">Full PDF for download</a></li></ul><h4>User Benefits&nbsp;</h4><ul><li>The Polyarc system converts organic compounds eluting from the column into methane, enabling sensitivity to be normalized to carbon concentrations.&nbsp;</li><li>Even for compounds containing heteroatoms or unsaturated bonds, which tend to show lower sensitivity with FID, the Polyarc reduces response differences.&nbsp;</li><li>Because the response is normalized, fewer calibration curves are required even for multicomponent sample analysis.</li></ul>The Flame Ionization Detector (FID), the most widely used detector for GC, is used for quantitative analysis across a wide range of fields because it can detect almost all organic compounds. However, FID can exhibit sensitivity differences depending on the compound type, such as compounds containing heteroatoms (e.g., oxygen or nitrogen) or those with unsaturated bonds (for details, refer to Application News No.01-01033-EN). As a result, conventional quantitative methods using calibration curves— including external standard methods— typically require a separate calibration curve for each target analyte. This application introduces a case study analyzing a mixed solution of eleven compounds with different functional groups using the Polyarc, a GC microreactor. While compounds exhibit varying sensitivity with FID detection, the Polyarc system reduces sensitivity differences between compounds and facilitates quantitative analysis through simplified calibration curve creation.<h4>Overview of the Polyarc</h4>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?search=Polyarc">Polyarc</a> is a post-column microreactor installed between the column and the FID. The main unit is mounted on the GC’s top panel. A schematic isshown in Fig. 1. Organic compounds introduced into the Polyarc via the column are fully converted to methane in two steps—oxidation followed by reduction (Fig. 2)—and are ultimately detected by FID. Because the FID detects methane, sensitivity is determined by the number of carbons, regardless of the original organic compound’s functional groups. For example, 1 mol of 1- propanol (C3H8O) is detected as 3 mol of methane.<h4>Analytical Conditions&nbsp;</h4>In this application, the sample was prepared by dissolving nheptane, cyclohexane, toluene, o-xylene, methyl ethyl ketone (MEK), tetrahydrofuran (THF), N,N-dimethylformamide (DMF), butyl acetate, propylene glycol monomethyl ether acetate (PMA), pyridine, and 1,2-dichloroethane in methanol so that each compound was 500 ppm (v/v%). Analytical conditions are shown in Table 1. The instrument used was a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2030">Nexis GC-2030</a> equipped with the Polyarc Ultra was used.(Fig. 3) Polyarc can be installed on both the Nexis GC-2030 and the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050">Brevis GC-2050</a>. Additionally, in this application, N2 was used as the carrier gas for affordability and safety, enabling cost-effective analysis.<h4>Conclusion&nbsp;</h4>Analyzing multicomponent samples with a Polyarc confirmed that sensitivity differences due to functional groups can be reduced. Compounds containing heteroatoms or unsaturated bonds can be analyzed with relative response comparable to hydrocarbons when a Polyarc is used. Peak area reproducibility was excellent, with %RSD &lt; 1. Additionally, it was confirmed that analyzing at least one compound of known concentration enables quantitation of compounds with unknown concentration—i.e., calibration curve preparation can be omitted.Table 5 summarizes the benefits of using a Polyarc system. The Polyarc simplifies multicomponent quantitative analysis and enables high-sensitivity analysis of compounds that are poorly detected by FID. Note that for certain compounds, adsorption in the inlet or similar effects may prevent achieving a relative response equivalent to that of saturated hydrocarbons.<h3>3. Thermo Fisher Scientific: Targeted MS quantitation - Controlled and accessed from anywhere (Thermo Scientific™ Chromeleon™ 7.4 software)</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/BR_70660_CDS_Chromeleon_BR_70660_EN_a0bf1ab440.pdf">Full PDF for download</a></li></ul><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76">Thermo Scientific™ Chromeleon™ 7.4 software</a> is presented as a centralized, server-based data system designed to consolidate mass spectrometry laboratories by connecting instruments, users, and data within a single, scalable platform. It enables secure access to data and instruments from anywhere, while centrally managing methods, templates, and reports to streamline daily laboratory operations.The software is fully optimized for targeted MS quantitation workflows, offering native control of Thermo Scientific single and triple quadrupole as well as high-resolution accurate mass (HRAM) MS instruments. Advanced data processing tools support targeted quantitation, screening, intact mass deconvolution, MSⁿ library searching, and customizable reporting, making Chromeleon suitable for biopharma, environmental, and food safety applications.A strong emphasis is placed on compliance and data integrity. Chromeleon 7.4 supports GxP, ISO, and 21 CFR Part 11 requirements through granular user controls, audit trails, electronic signatures, and versioned results. Built-in network failure protection, centralized databases, and secure remote access ensure high availability, resilience, and scalability from small on-premise installations to multi-site or cloud deployments.The brochure also highlights Chromeleon’s role in advanced bioanalysis and environmental workflows, including intact protein characterization, multi-attribute methods (HR-MAM), PFAS analysis, pesticides, dioxins, and PCBs. Integration with complementary Thermo Scientific software further enables end-to-end workflows from compliant data acquisition to targeted processing, reporting, and long-term data management.

News from LabRulezGCMS Library - Week 03, 2026

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 19th January 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies, BaySpec and Metrohm!<h3>1. Agilent Technologies: Micro GC Analysis of Permanent Gas Impurities in PEM Fuel Cell-Grade Hydrogen</h3>According to SAE J2719, ISO 14687, EN 17124, and ISO 19880-8<ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_micro_gc_analysis_gas_impurities_pem_fuel_5994_8830en_agilent_a5dca09e4b.pdf">Full PDF for download</a></li></ul>Quality requirements for hydrogen purity vary with application. Proton Exchange Membrane (PEM) fuel cell hydrogen is the application with the most stringent specification. Hydrogen purity specifications for other applications, i.e. residential or industrial use, typically allow for higher levels of specific&nbsp;contaminants.&nbsp;For PEM fuel cell-grade hydrogen, there are several key methods regulating quality. Some methods may also cover other scopes, but where they pertain to PEM fuel cell-grade hydrogen, they align on specific requirements for purity level and limit concentrations of specific contaminants.&nbsp;<ul><li>SAE J2719 specifies hydrogen fuel quality requirements for PEM fuel cell vehicles, such as hydrogen-powered cars.&nbsp;</li><li>ISO 14687 specifies minimum quality characteristics of hydrogen fuel for various applications, including residential, commercial, industrial, stationary systems, and vehicular use.&nbsp;</li><li>EN 17124 specifies the quality characteristics of hydrogen fuel dispensed at hydrogen refueling stations for use in PEM fuel cell vehicle systems.</li><li>ISO 19880-8 specifies the quality of the gaseous hydrogen at hydrogen distribution facilities and hydrogen fueling stations for PEM fuel cells for road vehicles.&nbsp;</li></ul>Micro GC is a suitable choice of technique for covering analysis of permanent gases in ultra high purity (UHP) hydrogen (oxygen, nitrogen, argon, helium, and methane). The small internal volume of the MEMS-based µTCD in the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=990+Micro+GC">Agilent 990 Micro GC</a> means that lower detection levels can be achieved when compared to regular TCDs, allowing for detection of contaminants in the single-digit ppm range. Note that ammonia, carbon monoxide, carbon dioxide, and formaldehyde can also be detected with Micro GC; however, additional/different columns might be required. Sensitivity requirements below 1 ppm may require alternate techniques.<h4>Experimental&nbsp;</h4>The method developed covers permanent gases defined in SAE J2719, and by default, also ISO 14687, ISO 19880‑8, and EN 17124. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=990+Micro+GC">990 Micro GC</a> system was set up similar to the method described in Agilent application note 5994‑2138EN.1 A 20 m MS5A straight channel on hydrogen carrier gas was used. Table 2 lists experimental conditions for method development. A 20 m molsieve provides sufficient separation for the argon/oxygen peak pair at low-ppm concentrations.2 For best results, the column was operated at a low temperature of 30 °C. Hydrogen was used as carrier gas to completely mask the bulk hydrogen matrix peak, resulting in separation of the helium and neon baseline3 , while still allowing for a similar sensitivity as with the helium carrier. The hydrogen carrier allows helium (He), argon (Ar), oxygen (O2), nitrogen (N2 ), methane (CH4 ), and even neon (Ne) to be measured at their required levels. Carbon monoxide (CO) that elutes from the molsieve column is not part of the scope. SAE J2719 requires these to be measured at the sub-ppm level, which is too low for Micro GC. Table 3 lists the composition of calibration gas used. The system was calibrated using single‑point calibration.<h4>Conclusion&nbsp;</h4>The Agilent 990 Micro GC setup, described with a single 20&nbsp;m straight molsieve column running hydrogen carrier gas is capable of meeting the hydrogen quality requirement in SAE J2719 and other comparable UHP hydrogen methods for select permanent gases (He, Ar, O2, N2, CH4 ). The critical component, oxygen, can reliably be measured below the required five ppm level. Precision and accuracy are excellent for all components, and with a short runtime of five&nbsp;minutes, this analytical option can deliver 10–12 runs per hour. Detection of other components listed in SAE J2719, i.e.&nbsp;ammonia or CO/CO2 , will require different equipment.<h3>2. BaySpec: Detecting Toxins on Cannabis Leaves with Portable Miniature Mass Spectrometer</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Bay_Spec_App_Note_Toxin_Detection_on_Cannabis_Leaves_with_Portability_Mass_Spectrometer_b15213c47e.pdf">Full PDF for download</a></li></ul>Mass spectrometry in connection with different separa‐ tion techniques currently represents the main analytical approach for determination of residual pesticides in the Food &amp; Agriculture industry. Traditionally, samples need to be collected and sent to a laboratory for analysis using techniques such as GC‐MS or HPLC‐MS, which are costly and time‐consuming. In addition, the conventional mass spectrometer usually requires laborious sample pre‐ treatment, which does not allow for immediate in‐situ sample determination.Presented in this application note are data from a ther‐ mal desorption electrospray ionization (TD‐ESI) or atmso‐ pheric pressure chemical ionization (APCI) source coupled to a portable mass spectrometer for toxin screening of cannabis leaves.&nbsp;&nbsp;Bayspec’s <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2219">Portability mass spectrometer</a> is less than 10 kg, highly portable, and battery‐operated.&nbsp;&nbsp;Its linear ion trap mass analyzer can perform fast in‐field detection of analytes, including residual toxins, by direct sampling of the surfaces of fresh food and plant products without any sample pre‐treatment.&nbsp;&nbsp;In this study, BaySpec’s sampling probe was used to directly swab the surface of cannabis leaves and inserted into the TD‐ESI or APCI sample inlet system for real time analysis. Four different samples were studied:&nbsp;<ul><li>Fresh cannabis leaves&nbsp;</li><li>Fresh cannabis leaves sprayed with PBO&nbsp;</li><li>Fresh cannabis leaves sprayed with myclobutanil&nbsp;</li><li>Fresh cannabis leaves sprayed with paraquat</li></ul>All sprayed samples were air‐dried prior to screening.&nbsp;&nbsp;No sample preparation was done to test the leaves.&nbsp;&nbsp;Both TD‐ ESI and APCI ionization methods tested positive for THC and toxins where applicable.&nbsp;&nbsp;See Figure 3 for recorded spectra.&nbsp;&nbsp;&nbsp;&nbsp;Due to short analysis times (1‐5 seconds per sample), this technique allows for fast screening for applications in food and environmental safety. MS (as well as MS/MS) analyses can be performed on surface‐residual toxins at parts per billion levels.&nbsp; &nbsp; The TD‐ESI ion source with PortabilityTM miniature mass spectrometer is available from BaySpec.&nbsp; &nbsp;&nbsp;This system does not require any add‐ itional support, external po‐ wer or gases. The simple in‐ tuitive software interface is operated by touch screen and makes the instrument ex‐ tremely easy to control. The external TD‐ESI source is fully integrated into the main software environment and the turn‐key system is user‐ friendly, does not require excessive training, and can be operated by persons with no previous mass spectrometry experiences<h3>3. Metrohm: Monitoring phosphate reactions in real time with Raman spectroscopy</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_rs_054_download_d034c2ebb5.pdf">Full PDF for download</a></li></ul><h4>CURRENT METHODES FOR REACTION ANALYSIS</h4>Titration is highly effective for quantifying phosphate and sulfate species to determine reaction completion and final product composition in fertilizers. Gravimetric analysis is used to quantify insoluble byproducts like gypsum (CaSO4·2H2O). Both techniques require sample collection, hazardous reagents, and manual processing – all of which introduce time delays and incur costs with every measurement. This Application Note describes how Raman spectroscopy was used as an alternative method to monitor a simplified phosphate fertilizer production process under laboratory conditions.&nbsp;<h4>METHOD</h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=220&amp;search=+i-Raman">Raman spectroscopy</a> is well suited to monitor phosphate species due to its high selectivity and nondestructive nature. Furthermore, it can simultaneously detect sulfate ions, enabling real-time analysis of multi-component reaction systems. In this study, dicalcium phosphate (CaHPO4, hereafter referred to as DCP) is used as a model compound for phosphate rock. In a 100 mL beaker, 500 mg of DCP was dissolved in 10 mL of 0.5 mol/L hydrochloric acid (HCl) (Equation 1). To simulate industrial reaction conditions and introduce sulfate ions, 0.25 mL of 1.0 mol/L sulfuric acid (H2SO4) was then added. The use of low-concentration HCl ensures safe handling and facilitates clear identification of the sulfate (SO42−) Raman peak.<h4>CONCLUSION</h4>Raman spectroscopy proved to be an effective tool for monitoring a phosphate fertilizer production process, providing clear insights into phosphate speciation, sulfate concentration, and precipitation dynamics. Raman spectral changes revealed transitions in phosphate protonation states and the formation of calcium-based precipitates. These capabilities support enhanced process control and product quality in phosphate fertilizer manufacturing.

News from LabRulezGCMS Library - Week 04, 2026

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 26th January 2026? 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 brochure by Agilent Technologies and application notes by BaySpec, Metrohm and Shimadzu!<h3>1. Agilent Technologies: Maintain Power Grid Integrity - Agilent transformer oil gas analyzers</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/br_toga_gc_analyzer_5994_8705en_agilent_82106c7de8.pdf">Full PDF for download</a></li></ul>Agilent transformer oil gas analyzers (TOGA) are designed to help utilities and service laboratories maintain power grid integrity by monitoring the condition of electrical transformers through dissolved gas analysis (DGA). Transformer oil degrades under electrical, thermal, and mechanical stress, generating characteristic gases whose composition and ratios provide early warning of developing faults. By reliably identifying and quantifying these gases, TOGA systems enable predictive maintenance, help prevent catastrophic transformer failures, and support informed asset management decisions.The analyzers are built around the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890">Agilent 8890 gas chromatograph</a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8697">8697 headspace sampler</a> and are factory-configured, tested, and performance-verified for immediate deployment. They support ASTM D3612 methods A and C, offering flexible configurations for vacuum extraction or headspace sampling. Automated operation allows unattended analysis of up to 120 samples, while high-performance Agilent J&amp;W PLOT columns ensure excellent separation, reproducibility, and reliable detection of key fault gases such as hydrogen, carbon oxides, methane, ethylene, acetylene, and higher hydrocarbons.Agilent TOGA systems are delivered as complete workflow solutions, minimizing method development time and accelerating system validation. Intelligent instrument diagnostics, microchannel-based electronic pneumatic control, and remote access capabilities improve reliability, uptime, and ease of operation. Integrated quality-control procedures—from factory testing through on-site installation—ensure consistent performance and traceability from day one.Data acquisition, analysis, and reporting are supported by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=OpenLab+CDS">OpenLab CDS</a>, which provides a unified platform with high data integrity, streamlined workflows, and secure records management. Combined with Agilent’s extensive service, training, and support offerings, TOGA analyzers represent a robust, future-ready solution for dissolved gas analysis in transformer oil, helping protect critical energy infrastructure while reducing operational risk<h3>2. BaySpec: Drug Screening using Compact Portable Device for Supervised Injection Sites</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Bay_Spec_App_Note_Drug_Screening_Using_Portable_Mass_Spectrometer_for_Supervised_Injection_Sites_5d1c131cec.pdf">Full PDF for download</a></li></ul>In response to the rising epidemic, some governments have passed bills making supervised injection sites (SIS) a potential avenue for reducing the rate of drug overdoses. SISs are health care facilities where staff are trained to provide health education, support and connections to services as well as intervening in serious adverse events such as drug overdoses. They provide a safe, hygienic and non-judgement environment in which individuals may consume illicit drugs without fear of arrest.&nbsp;The benefits of SIS are to:&nbsp;(1) prevent an overdose from becoming fatal through quick intervention, (2) reduce the frequency of public injection and publicly discarded syringes, (3) increase access to health services including substance use treatment, and (4) change behaviors associated with acquiring HIV and hepatitis.&nbsp;The benefits of drug checking services within an SIS are:&nbsp;(1) it provides the consumer information about the contents of their drugs prior to consumption allowing them take steps to reduce their risk of overdose, (2) it identifies when a highly toxic substance may be in the local drug supply so advisories can be issued to local service agencies and first responders, (3) it encourages use of supervised injection services and the benefits mentioned above, and (4) it detects novel substances or drug combinations that may impact the consumer.&nbsp;Initially approved by the Canadian federal government in 2017, the nation now has four official SISs in operation in Ottawa and four sites approved in Toronto. While most SISs are prepared to respond quickly to overdoses, a better practice is to screen drugs for harmful impurities prior to injection. Some SISs are taking such precautions by providing the option for clients to test their drugs prior to injection with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2219">BaySpec’s Portability Mass Spectrometer</a>, a low maintenance, cost effective, portable instrument weighing only 20 pounds.<h3>3. Metrohm: Assessment of chocolate with Raman spectroscopy</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_rs_052_download_a849b96c87.pdf">Full PDF for download</a></li></ul><h4>Rapid quality control of different chocolate types&nbsp;</h4>Application Note AN-RS-052 In 2024, the global chocolate market was valued at approximately $131 billion USD. It is projected to reach approximately $173 billion by 2030, implying a steady growth rate of roughly 4% [1]. This growth is driven by sustained consumer demand and is expected to continue rising.&nbsp;Spectroscopy is increasingly utilized in chocolate manufacturing for quality control (QC), thanks to its ability to assess the composition of chocolate, providing a «fingerprint» spectrum that reveals its chemical details. Specifically, Raman can be used in QC to distinguish between types of chocolate, detect adulteration, measure crystallization and texture, and monitor the manufacturing process.&nbsp;This Application Note outlines techniques for effectively collecting Raman spectra from various chocolates, providing a foundation for quality assessment and adulteration detection.<h4>METHOD&nbsp;</h4>Raman data collection with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=220&amp;search=i-Raman+NxG+1064">i-Raman NxG 1064 </a>laboratory Raman system (Figure 2) was optimized by adjusting integration time and laser power (Table 3) to determine the best conditions to maximize signal strength and minimize risk of sample melting.All chocolate samples were analyzed by placing a piece of chocolate on the stage with a Raman probe securely locked above the sample (Figure 3). The optimal working distance was determined by adjusting the probe’s z-axis position while continuously monitoring the intensity of the Raman signal. Once the optimal focal distance is found, a distance regulator helps the operator position the probe on the sample to ensure consistent and reliable measurement.<h4>CONCLUSION</h4>This study highlights the capability of Raman spectroscopy for rapid, nondestructive measurements of chocolate quality indicators. PLS models demonstrate high predictive accuracy for both cocoarelated materials and sugar content. Increasing the number of samples and testing a broader range of chocolates would further improve the robustness and accuracy of the model. Overall, Raman spectroscopy, combined with chemometric modeling, offers a reliable QC method for routine and real-time chocolate analysis.<h3>4. Shimadzu: Analysis of Acetaldehyde and Limonene in Recycled PET Using an HS-GCMS System (Carrier Gas: H2)</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00760_en_4ecf93333d.pdf">Full PDF for download</a></li></ul><h4>User Benefits</h4><ul><li>The gas released from the polymer can be easily measured without dissolving the polymer in a solvent, by using a headspace sampler (HS).&nbsp;</li><li>Using an HS-GC/MS system enables qualitative and quantitative analysis of target components in samples with a large number of contaminants that make it difficult to differentiate the targets from other components.&nbsp;</li><li>Analysis costs can be reduced by using hydrogen as a carrier gas, which is more affordable and readily available than helium</li></ul>Plastic is lightweight, strong, waterproof, and very convenient, making it an essential part of our modern lives. On the other hand, because it is a major contributor to environmental issues, such as ocean pollution and global warming, measures to reduce plastic usage are being undertaken in countries around the world. 1)&nbsp;In Japan, the Plastic Resource Circulation Promotion Act2) came into effect in April 2022. The act does not regulate plastic but rather promotes the establishment of a sustainable circular economy by encouraging collaboration among businesses, local governments, and consumers throughout the overall process of designing, manufacturing, selling, collecting, and recycling plastic products.&nbsp;One of these initiatives is the recycling of PET bottles for beverage use. When recycling beverage bottles, residual odors can be an issue, with substances like acetaldehyde from water bottles and limonene from citrus beverages known to persist in the containers. To address these residual substances, recycling companies are implementing unique strategies, one of which involves using gas chromatography-mass spectrometry (GC-MS) to quantify the residual materials. In this article, we present an example of qualitative and quantitative analysis of aldehydes and limonene in PET bottles using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2020+NX">GCMS-QP2020 NX</a>/HS-20 NX, with hydrogen (H2) as the carrier gas.<h4>Conclusion</h4>By using hydrogen (H2) gas as the carrier gas, we were able to avoid the use of the hard-to-obtain helium gas. Additionally, by employing an HS-GC-MS system, we could qualitatively and quantitatively analyze acetaldehyde and limonene from PET without the need for cumbersome pretreatment.

News from LabRulezGCMS Library - Week 05, 2026

News from LabRulezGCMS Library - Week 06, 2026

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 9th February 2026? 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 technical note by Agilent Technologies, presentation by MDCW / University of Copenhagen and application notes by Shimadzu and Thermo Fisher Scientific!<h3>1. Agilent Technologies: What Causes Spots on <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=19&amp;manufacturerItems=1&amp;search=PLOT">PLOT Columns</a>? Will It Affect the Performance of the Column?</h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/te_what_causes_spots_plot_columns_affecting_performance_5994_8775en_agilent_3b7180512a.pdf">Full PDF for download</a></li></ul>Spots on porous layer open tubular (PLOT) columns are caused by small voids in the stationary phase coating inside the tube. These spots are areas where there is an uneven coating or lack of phase. It is normal to find some voids in the phase coating of PLOT columns. The stationary phase in PLOT columns is an opaque, solid, and porous material. In many Agilent PLOT columns such as the GS-Alumina phases, molecular sieves, porous polymers (Q and U), and the GS-OxyPLOT, the stationary phase is visible as a white powder. For many PLOT columns, the stationary phase fill solution is a viscous suspension of particles that are less than 10 microns in diameter. The phase is coated using a dynamic process in which a plug of fill solution is pushed through the tubing, and the plug’s speed and viscosity determines the thickness of the stationary phase layer. Once the PLOT’s stationary phase is deposited, it is held in place by electrostatic charge, chemical interactions between particles, and/or binding agents. In wall‑coated open tubular (WCOT) columns, stationary phases such as polysiloxanes or polyethylene glycols are immobilized by chemical bonding to the glass surface and cross-linking between polymer strands. Because this type of bonding and cross‑linking is not possible with PLOT phases, the result is a stationary phase layer that is both fundamentally different and inherently less stable in PLOT columns than in WCOT&nbsp;columns.<h3>2. MDCW / University of Copenhagen: One-shot tensor decomposition of full-scale GC×GC-VUV datasets for resolving petrochemical groups</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_17_Schneide_67c8ff7866.pdf">Full PDF for download</a></li></ul>The presentation introduces a novel all-samples-at-once, shift-invariant tri-linear tensor decomposition approach for the analysis of full-scale <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?search=GC%C3%97GC-VUV">GC×GC-VUV</a> datasets, aimed at resolving and quantifying petrochemical groups. Traditional template-based or pixel-based methods struggle with retention-time shifts and co-eluting compounds, often requiring manual intervention and prior chemical knowledge. The proposed approach leverages the intrinsic low-rank structure of GC×GC-VUV data to enable robust, automated group-level analysis across multiple samples simultaneously.At the core of the method is a shift-invariant tri-linear model, conceptually related to PARAFAC and multivariate curve resolution, but extended using frequency-domain (FFT-based) modeling to explicitly account for chromatographic peak shifts. By decomposing the entire dataset in one step, the model provides accurate estimates of peak landscapes, VUV spectra, and relative peak areas, while remaining agnostic to retention-time variability. Importantly, the approach requires only a small number of tunable parameters, making it practical for routine use.The method was demonstrated on a case study involving 14 petrochemical gas-oil samples, including straight-run, hydrotreated, hydroconverted, coker, and light cycle oils. Extracted VUV spectra showed excellent agreement with reference spectra from a VUV spectral database, enabling confident assignment of components to chemical groups such as saturates, olefins, and mono- to poly-aromatics. Quantitative results exhibited high repeatability (RSD typically 3–9%) and strong correlation with established template-based reference methods.Overall, the work demonstrates that one-shot, shift-invariant tensor decomposition provides a powerful and scalable alternative to conventional GC×GC data-analysis strategies. By combining chemical interpretability, robustness to chromatographic shifts, and strong quantitative performance, the approach opens new opportunities for automated, high-confidence group-level analysis of complex petrochemical samples and beyond.<h3>3. Shimadzu: Py-Screener Ver. 3: Simultaneously Test for Substances Regulated Under RoHS, TSCA, and POPs</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00949_en_4754e50164.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>In just one analysis, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=Py-Screener">Py-Screener</a> Ver. 3 can determine levels of phthalate esters, brominated flame retardants (PBBs, PBDEs), PIP (3:1), UV-328, dechlorane plus (DP), short-chain chlorinated paraffins (SCCPs), and medium-chain chlorinated paraffins (MCCPs).&nbsp;</li><li>It can also test for SCCPs and MCCPs by electron ionization (EI) instead of negative chemical ionization (NCI).&nbsp;</li><li>PIP (3:1), UV-328, DP, and SCCPs and MCCPs can be screened without the need for corresponding reference materials.</li></ul>Countries and regulatory bodies worldwide are introducing increasingly stringent regulations on the chemical substances used in electronic devices and industrial products. The RoHS Directive and REACH regulations in the EU, the Toxic Substances Control Act (TSCA) in the USA, and the Stockholm Convention on Persistent Organic Pollutants (POPs) are also targeting an increasingly broad range of substances. Therefore, manufacturers are required to accurately identify regulated substances in their products and comply with each regulation. While Py-Screener Ver. 2 can screen for seven phthalate esters and brominated flame retardants, including substances regulated under the RoHS Directive, version 3 can also screen for PIP (3:1), which is regulated under the TSCA, as well as UV328, DP, and SCCPs and MCCPs , which are regulated under the Stockholm Convention on POPs. A list of supported substances isshown in Table 1. This article introduces the simultaneous analysis of multiple regulated substances and a case study of testing specific regulated substances in samples, using Py-Screener Ver. 3.<h4>Analysis Process</h4>Py-Screener Ver. 3 can determine levels of phthalate esters and brominated flame retardants contained in products in accordance with the international analytical standards IEC62321-8 and IEC62321-3-3. It can also test for specific regulated substances (Table 1) under the same conditions and in the same analysis. In this test, background intensity and instrument sensitivity (S/N) were verified before analyzing samples. These parameters are prescribed by IEC62321-8 to ensure the accuracy of the methods used. Background intensity and instrument sensitivity were determined using a reference material (PN: 225-31003- 91) *1 that consisted of a plastic sheet that was spiked with seven phthalate esters. The results met the criteria for both parameters.The testing workflow is shown in Fig. 1. Before testing samples, calibration curves were prepared by analyzing the 1000 mg/kg phthalate ester reference material and polypropylene spiked with brominated flame retardants (ERM-EC591). A hole puncher was used to punch out two discs at a time of the phthalate ester reference material, and a cutter was used to obtain pieces of the other materials. Each material was weighed in a sample cup for analysis. During the analysis of samples, phthalate esters and some of the regulated brominated flame retardants were quantitated using a one-point calibration curve. The remaining brominated flame retardants and specific regulated substances were quantitated using the correction factor database*2 that is included with Py-Screener Ver. 3.<h4>Conclusion</h4>Py-Screener Ver. 3 successfully determined in samples the concentrations of the regulated substances PIP (3:1), UV-328, DP, and SCCPs and MCCPs. Normally, SCCP and MCCP levels are tested using NCI, but Py-Screener Ver. 3 uses EI. This enables it to test for not only SCCPs and MCCPs but also phthalate esters, brominated flame retardants, and other regulated substances in just one analysis. In addition, by using the relative correction factors linked to DEHP in the phthalate ester reference material, the levels of these regulated substances were determined without the need for the corresponding reference materials. Py-Screener Ver. 3 can also create a screening program that addresses substance restrictions under the RoHS Directive, the US TSCA, and the POPs Convention.<h3>4. Thermo Fisher Scientific: Improving low carbon steel production in specialty steel processes</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/prima_pro_process_mass_spectrometer_an1626_7fc840235f.pdf">Full PDF for download</a></li></ul>World crude steel production reached 1,691 million tonnes in 2017, up by 5.3% compared to 2016.1 While much of this capacity is still produced in primary steel processes such as basic oxygen furnaces and electric arc furnaces, the need for refined steel with greater durability and resistance to heat and corrosion has led to the increased use of vacuum degassing processes, such as VOD and RH, in secondary steel production. These processes are able to achieve ultra-low levels of residual carbon, while at the same time retaining desired levels of other alloy materials. If these processes are to achieve the required level of steel product quality, they need fast, continuous gas analysis of the furnace exhaust gas. Without accurate information on the composition of the gas leaving the furnace, any variations in the decarburization process are only detected after the event, resulting in the production of out-of-specification steel.<h4>Advantages of mass spectrometry&nbsp;</h4>Traditional Non-Dispersive Infra-Red (NDIR) analyzers are used in many conventional steelmaking processes to measure CO and CO2 , but they can only sample at atmospheric pressure. In vacuum steelmaking the process pressure changes dramatically, typically from atmospheric pressure down to less than 1 mbar, over the 20-30 minutes of the melt. So NDIR analyzers have to sample some distance downstream from the process. Analytical data is updated several minutes after the gas leaves the melt and the control system is forced to operate on historic rather than real-time data.&nbsp;Paramagnetic analyzers can be used to measure O2 , while thermal conductivity analyzers can be used to measure H2 . These analyzers also suffer from slow response, while the need to operate three different types of analyzers adds to the plant maintenance burden. Moreover, the three analyzers cannot analyze inert gases, so N2 is calculated by difference, a result that suffers from the sum of the errors of the three analytical techniques.&nbsp;Mass spectrometry operates at high vacuum so it is ideal for monitoring vacuum processes. It is also able to monitor all seven components in Table 1 in seconds rather than minutes, ensuring the plant control model is frequently updated with accurate compositional data.<h4>Precision of analysis&nbsp;</h4>At the heart of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Prima+PRO+Mass+Spectrometer">Thermo Scientific™ Prima PRO Mass Spectrometer</a> (MS) is a magnetic sector analyzer which offers unrivalled precision and accuracy compared with other mass spectrometers. Thermo Fisher Scientific manufactures both quadrupole and magnetic sector mass spectrometers; over thirty years of industrial experience have shown the magnetic sector based analyzer offers the best performance for industrial on-line gas analysis.&nbsp;Key advantages of magnetic sector analyzers include improved precision, accuracy, long intervals between calibrations, and resistance to contamination. Typically, analytical precision is between 2 and 10 times better than a quadrupole analyzer, depending on the gases analyzed and complexity of the mixture.&nbsp;A unique feature of the Prima PRO magnet is that it is laminated. Its analysis times are similar to a quadrupole analyzer, offering the unique combination of rapid analysis and high stability. This allows the rapid and extremely stable analysis of an unlimited number of user-defined gases. The scanning magnetic sector is controlled with 24-bit precision using a magnetic flux measuring device for extremely stable mass alignment.&nbsp;The ion source is an enclosed type for high sensitivity, minimum background interference, and maximum contamination resistance. This is a high-energy (1000 eV) analyzer that offers extremely rugged performance in the presence of gases and vapors that have the potential for contaminating the analyzer. Typical performance specifications for the Prima PRO MS are shown in Table 1. Analytical performance is demonstrated by analyzing the calibration bottle over 1 hour following calibration, with an analysis time of just 6 seconds. Standard deviations measured on the calibration cylinder will be equal to or better than the stated values.

News from LabRulezGCMS Library - Week 07, 2026

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 16th February 2026? 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 technical note by Agilent Technologies, presentation by MDCW / C³AL and application notes by BaySpec and Shimadzu!<h3>1. Agilent Technologies: Why Do Loss of Resolution and Retention Time Shift Occur After Installing a New GC Column?</h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/te_loss_resolution_retention_time_shifts_gc_column_5994_8773en_agilent_e5e79a5f5e.pdf">Full PDF for download</a></li></ul>When a new column is installed on an instrument that has been running an application for a long time, and all the instrument parameters are set to the same values as before, the resolution between a pair of critical analytes can drop unacceptably, creating concern that the column is defective.&nbsp;The chromatograms that accompany columns like these will show that the retention times of the poorly resolved peaks on the new column have shifted. This difference indicates a change in linear velocity of the carrier gas, since the run conditions were the same.&nbsp;Why did the retention times of those compounds shift under seemingly identical run&nbsp;conditions? The answer is that the run conditions are not identical because the columns are not truly identical. In any manufacturing process, products are built to tolerances. In the case of a GC capillary column, these tolerances include diameter and length. Even small differences in diameter and length will affect the actual velocity and flow rate through a column at a given head pressure.<h3>2. BaySpec: Illicit Drug Detection &amp; Identification Using the Continuity™ Field Portable Mass Spectrometer</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Bay_Spec_App_Note_C101_Illicit_Drug_Detection_1_5bd32f3fe9.pdf">Full PDF for download</a></li></ul>The trafficking and abuse of illicit drugs inflict tremendous harm upon individuals, families, and communities throughout the United States and the world. Based on the report of the United Nations Office on Drugs and Crime, nearly 296 million people worldwide used drugs in 2022, with an estimated 64 million suffering from drug use disorders. The opioid epidemic alone has claimed over 160,000 lives in the United States over the past two years, highlighting the urgent need for effective measures to combat this scourge.Traditional methods of drug detection, such as laboratory-based analysis, are often time-consuming, costly, and require specialized personnel. These limitations make it challenging to address the rapid and widespread nature of drug trafficking and abuse. Moreover, the constant evolution of synthetic drugs and new psychoactive substances poses a significant challenge for law enforcement and public health officials, as these substances often evade detection using conventional methods.&nbsp;In recent years, portable mass spectrometry has emerged as a promising solution for the rapid detection and identification of illicit drugs. Unlike traditional laboratory instruments, portable mass spectrometers offer the advantage of on-site analysis, enabling law enforcement officers and first responders to quickly identify substances in real-time. This technology can be deployed in various settings, including border checkpoints, public events, and field investigations, providing a versatile and efficient tool for combating drug-related crimes. As the opioid crisis and the rise of synthetic drugs continue to pose significant challenges, the integration of portable mass spectrometry into drug detection strategies represents a critical step towards a safer and healthier society.<h4>Instrumentation&nbsp;</h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2218">BaySpec Continuity™ Portable Mass Spectrometer</a> was used equipped with a Swab-APCI source, specifically designed for TSA-approved swabs. The samples on swabs were converted into vapors via the Swab vaporizer unit, which then were drawn into the ionization chamber by the built-in sampling pump.<h4>Conclusions&nbsp;</h4>In this study, we demonstrated the use of the Continuity™ Field Portable Mass Spectrometer equipped with a SwabAPCI ionization source for the detection and identification of various drugs. The capabilities of the instrument were assessed through the creation of calibration curves and surface sampling experiments using ten drug standards and four selected analytes: fentanyl, cocaine, methamphetamine, and MDMA. By serial diluting these standards in methanol, we established calibration curves and determined the instrument’s Limits of Detection (LODs) in MS2 mode. These experiments highlighted the instrument’s ability to detect trace amounts of drugs with high sensitivity and specificity.&nbsp;The performance of the Continuity™ field portable mass spectrometer in both controlled and real-world scenarios underscores its potential as a rapid, on-site analytical tool. The results obtained from triplicate measurements reinforce the reliability of this method, making it a valuable asset for law enforcement and public health agencies in their efforts to combat drug-related issues. This study confirms that the portable MS system can quickly and effectively identify illicit substances, offering a practical solution for field investigations and real-time decision-making. As the landscape of illicit drug use continues to evolve, such advancements in portable analytical technology will be crucial in providing timely and accurate information for intervention and prevention strategies.<h3>3. MDCW / C³AL: COUNTING DOUBLE BONDS: GC×GC–FID FOR PLASTIC PYROLYSIS OILS</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_26_Petr_Vozka_04ef50f601.pdf">Full PDF for download</a></li></ul>The presentation focuses on the analytical challenge of accurately quantifying olefins (double bonds) in plastic pyrolysis oils and alternative fuels derived from plastic waste. As chemical recycling processes such as pyrolysis and hydrothermal processing gain importance, detailed compositional analysis becomes essential. Pyrolysis oils are highly complex mixtures containing paraffins, iso-paraffins, olefins, cycloalkanes, aromatics, and multi-ring structures. Because olefin content strongly affects fuel stability and upgrading requirements, reliable quantification is critical.Traditional bulk methods such as bromine number, bromine index, iodine value, FTIR, Raman, and NMR provide only total unsaturation and often suffer from interferences or limited selectivity. To achieve detailed group-type and compound-level analysis, the authors apply comprehensive two-dimensional gas chromatography with flame ionization detection (GC×GC–FID). This technique delivers high resolution, reduces co-elution, and enables classification of linear, branched, cyclic, and aromatic olefins across wide boiling ranges.To further improve quantitative accuracy, a selective adsorption approach using silver-modified silica (Ag–SiO₂) solid-phase extraction is introduced. Olefins are selectively retained, and comparison of GC×GC–FID chromatograms before and after adsorption allows precise determination of olefin content. This method is shown to be cost-effective and reliable for samples containing more than 5 wt% olefins.Additionally, the presentation explores chemical derivatization of olefins using dimethyl disulfide (DMDS) and other disulfides to improve structural identification and quantification. While effective for lighter gasoline-range samples, challenges remain for heavier fuels such as jet and diesel fractions. Ongoing work focuses on testing heavier disulfides, optimizing reaction conditions, and validating results using ¹H NMR spectroscopy and future TOFMS analysis.<h3>4. Shimadzu: Analysis of Polycyclic Aromatic Hydrocarbons (PAHs) in Tattoo Inks Using GC-MS</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_09_ssk_023_en_ff47795f55.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>&nbsp;GCMS-QP2020 NX supports effective analysis of PAHs in Tattoo inks.</li><li>It provides an MFDS-based GC-MS method for PAHs in tattoo inks, enabling compliance with Korean regulations.</li></ul>Tattoo inks have been utilized for diverse purposes throughout history, serving as cultural identifiers and means of personal expression. In contemporary society, tattooing extends beyond aesthetics and self-expression to include medical applications such as camouflage of scars and post-operative rehabilitation. Because these inks are injected directly into the dermal layer, rigorous safety and hygienic control are essential to ensure human health protection.&nbsp;Among the regulated constituents in tattoo inks, polycyclic aromatic hydrocarbons (PAHs) are of particular concern. PAHs comprise over a hundred structurally related compounds, commonly generated through incomplete combustion processes, vehicle exhaust, and tobacco smoke. Several PAHs have been classified as carcinogenic, and chronic exposure may lead to bioaccumulation and subsequent adverse health effects.&nbsp;In January 2022, the European Union implemented stringent restrictions through updated REACH regulations, limiting the presence of approximately 4,000 hazardous substances in tattoo and permanent make-up inks, including PAHs. 1) These regulations prohibit the use of carcinogenic, mutagenic, and sensitizing substances previously detected in such products. Since the enforcement date, only compliant inks are permitted for distribution and use within the EU.&nbsp;In South Korea, tattoo inks were regulated as consumer chemical products under the Ministry of Environment until June 2025. Due to increasing safety concerns, they have since been reclassified as sanitary products under the authority of the Ministry of Food and Drug Safety (MFDS), resulting in the implementation of more stringent safety requirements. 2)&nbsp;This application news introduces the analytical methodology for quantification of PAHs in tattoo inks based on the MFDS regulatory standards (Notice 2025-36). Samples were prepared in accordance with the prescribed protocol, and PAH concentrations were determined using gas chromatography– mass spectrometry (GC-MS) in selected ion monitoring (SIM) mode.<h4>Analytical Conditions&nbsp;</h4>For the determination of PAHs in tattoo inks, a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2020+NX">GCMS-QP2020 NX</a> system was employed, as shown in Figure 1. The instrumental parameters and selected ion monitoring (SIM) conditions used for PAH analysis are summarized in Table 1.<h4>Conclusions</h4>Quantitative analysis of PAHs in tattoo inks was performed using the GCMS-QP2020 NX. Sample preparation followed the procedure outlined in the MFDS ‘Standards and Specifications for Sanitary Products.’ All eight PAH analytes showed excellent linearity, with correlation coefficients (R²) exceeding 0.999. Recovery tests showed values between 81.6% and 115.1%, with relative standard deviations (%RSD) ranging from 0.11% to 3.13%, demonstrating good accuracy and precision. These results confirm that the GCMS-QP2020 NX is a suitable instrument for PAH analysis in tattoo inks.

News from LabRulezGCMS Library - Week 08, 2026

News from LabRulezGCMS Library - Week 09, 2026

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 2nd March 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies, BaySpec and Shimadzu and presentation by MDCW / JEOL!<h3>1. Agilent Technologies: Total Hydrocarbon Impurity Analysis in PEM Fuel Cell Grade Hydrogen Using the Agilent 8890 GC-FID System</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_hydrocarbon_impurity_analysis_pem_fuel_cell_8890_gcfid_5994_8935en_agilent_00a26949ef.pdf">Full PDF for download</a></li></ul>High-purity hydrogen is crucial for the optimal and long-term performance of fuel cells.&nbsp;Different than the industry grade hydrogen used for chemicals, refining, and metal processing, where small amounts of impurities are acceptable. Fuel cell hydrogen is required to meet the species-specific impurity limits described in the specifications. Such impurities include hydrocarbons, sulfur-containing compounds, ammonia, permanent gases, halogens, and formaldehyde. Each group of compounds has its own regulation limit. The limits are defined based on their impact on the fuel cell lifetime and performance. ISO 14687 and SAE J2719 are the most recognized standards for regulation of fuel cell hydrogen quality.&nbsp;Multiple testing points are implemented throughout the whole supply chain of fuel cell grade hydrogen—from its production, storage, and distribution to its final application. The analytical approaches employed depend on the impurity type and the corresponding limit. Among the varied contaminants, hydrocarbon impurity is controlled based on THC amount (excluding methane because it has a separate specific limit) and the quality limit as specified in ISO 14687 and SAE J2719 (2&nbsp;ppm).&nbsp;There are two ways to analyze THCs in hydrogen. One is to separate and detect each hydrocarbon, then add their concentrations to get the THC amount (excluding methane). This analytical approach is recommended by the GB/T 44238-2024 test method.1 The other way is by eluting all hydrocarbons as a single peak and quantitating the peak according to methane's response factor (RF). The total THC is then obtained by subtracting the methane amount, which is analyzed by a separate method.In this application note, THC impurity was tested using the second approach. An Agilent 8890 GC with FID system were used for THC analysis, and the Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=990+Micro+GC">990 Micro GC</a> was used for methane measurement. The methane analysis solution is published in application note 5994-8830EN.2 Here, we will showcase THC analysis using the 8890 GC-FID system.&nbsp;<h4>Experimental&nbsp;</h4>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890">8890 GC</a> is configured with one gas sampling valve, a split/splitless (S/SL) inlet, and a flame ionization detector (FID), as shown in Figure 1. The fixed volume of gas sample is injected into the S/SL inlet and part of the sample flows into an uncoated capillary column, then elutes off as a single peak for detection. Table 1 lists experimental conditions for the analysis. The standard gases shown in Table 2 are used to verify system precision, generate methane's RF, and calculate method detection limit (MDL).<h4>Conclusion&nbsp;</h4>This application note demonstrates THC&nbsp;analysis in fuel cell hydrogen using the Agilent 8890 GC-FID system. The hydrocarbons eluted as a single peak on an uncoated column and were quantitated using methane's RF. The method repeatability and reproducibility were around 2%. Method accuracy was better than 120%. The MDL was 0.97&nbsp;ppm. All results met the analytical requirements of regulating THC in fuel cell grade hydrogen according to SAE&nbsp;J2719 and ISO 14687.&nbsp;The applied analytical approach requires methane analysis by a separate method, which can be realized using the Agilent 990 Micro GC or using a coated column followed by FID detection on another channel of the 8890 GC system.<h3>2. BaySpec: Rapid Detection of Trace Levels of Deoxynivalenol in Wheat Flour by Portable Miniature Linear Ion Trap Mass Spectrometry</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Bay_Spec_App_Note_MS_Portability_In_Wheat_Quality_04959a96bd.pdf">Full PDF for download</a></li></ul>Deoxynivalenol (Cas:51481‐10‐8), also known as DON, is a trichothecene mycotoxin that is widely found in grains such as wheat, barley, and rice.&nbsp;&nbsp;The molecular structure of DON is provided in figure 1.&nbsp;&nbsp;DON is linked to two plant pathogens: Fusarium graminearum (wheat and corn), and Fusarium ear blight (corn only).&nbsp; &nbsp; DON inhibits the synthesis of DNA / RNA as well as protein synthesis at the ribosomal level, ultimately resulting in the loss of yield and contamination of seeds.&nbsp;&nbsp;An acute dose of DON can induce vomiting (emesis) in pigs, whereas at lower concentrations in the diet, it reduces growth and feed consumption (anorexia).1&nbsp;The U.S. FDA has established DON advisory levels to provide safe food and feed at concentrations of &lt; 10 ppm to &lt; 1 ppm depending on application.2Because DON is difficult to derivatize, this compound is typically analyzed via thin‐layer chromatography (TLC) or high performance liquid chromatography (HPLC).3 While TLC is simple, fast, and economical, this analytical technique does not provide high accuracy nor consistent results on a day‐to‐day basis.&nbsp;&nbsp;HPLC improves on accuracy and consistency but requires large quantities of costly solvents and produces large volumes of hazardous waste.&nbsp;&nbsp; Depending on sampling requirements and system performance, the annual maintenance costs for a standard HPLC instrument can run ~$10‐20k per year.4 &nbsp;&nbsp; Furthermore, although HPLC systems can be easy to use when properly configured, a trained professional is typically needed for troubleshooting, maintenance, and developing new methods.Two samples were analyzed in a recent case study for an agricultural firm based in Canada.&nbsp;&nbsp;&nbsp;One sample contained 200 mg of wheat powder, while the other sample was 1 mg of the pure DON compound. Measurements were taken on a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2219">BaySpec PortabilityTM Mass Spectrometer</a> (Figure 2) with both thermal desorption (TD) electrospray ionization (ESI) and atmospheric pressure chemical ionization (APCI) methods. Samples were tested “dry” either by probing the surface of the sample vials or by spreading the powder onto a clean surface and swabbing. An enlarged image of the sampling probe with a small amount of wheat powder is shown in Figure 3.<h3>3. MDCW / JEOL: Structural elucidation using GCxGC-TOFMS and machine learning for unknown metabolites in HeLa cell</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_7_Masaaki_Ubukata_2_56a67fdf00.pdf">Full PDF for download</a></li></ul>The presentation by Masaaki Ubukata focuses on advancing structural elucidation of unknown metabolites in HeLa cells using comprehensive two-dimensional gas chromatography coupled with high-resolution time-of-flight mass spectrometry (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=2-13-3-5&amp;mainauthorItems=23">GC×GC-HRTOFMS</a>) and machine learning. The work addresses a major limitation in metabolomics: while GC-MS offers highly reproducible EI fragmentation and strong library support, only a tiny fraction of known chemical space is represented in standard databases such as NIST (about 0.3% of compounds). To overcome this gap, the team developed an AI-based approach capable of predicting EI mass spectra and retention indices for over 200 million compounds, creating a large in-silico spectral library for unknown identification.The workflow integrates accurate mass measurements from GC-HRTOFMS with both electron ionization (EI) and soft ionization data. Molecular formulas are first determined using isotopic patterns and fragment ion accuracy, then candidate structures are narrowed using predicted retention indices and compared against AI-predicted EI spectra ranked by cosine similarity. Model performance has steadily improved, reaching an average cosine similarity of 0.86, with correct structures ranked first in 56% of evaluation cases and within the top 10 in 87% of cases. This demonstrates strong capability for resolving unknown compounds beyond conventional library searches.The approach was applied to HeLa cell metabolomics, a well-established human cell model. Using GC×GC separation, more than 800 metabolites were detected. Importantly, the system successfully identified N-methyl-uridine monophosphate (N-methyl UMP), a biologically relevant RNA-modification-related metabolite not registered in the NIST database. After molecular formula determination and AI ranking, N-methyl UMP was identified as the top candidate among 53 structural isomers sharing the same formula, demonstrating the practical strength of combining high-resolution MS, soft ionization, and AI-based spectral prediction.In conclusion, the study highlights the synergistic power of three technologies: high-resolution GC-TOFMS, soft ionization techniques, and AI-driven structural analysis. Together, they significantly enhance the identification of unknown metabolites in non-targeted metabolomics and provide a scalable solution for exploring chemical space far beyond existing experimental spectral libraries.<h3>4. Shimadzu: Analysis of Aroma Components in Apples Using the Smart Aroma Database</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01016_en_e989b26b7f.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>The Smart Aroma Database enables straightforward qualitative analysis of aroma components.</li><li>The HS-20 NX headspace sampler allows for high-sensitivity and convenient analysis of the aroma components in fresh apples.</li><li>Multivariate analysis facilitates an objective evaluation of aroma component differences between samples.</li></ul>The aroma components of fruits are one of the key factors that determine their flavor and taste, serving as a significant criterion for consumers when choosing fruits. These aroma components vary based on the type and variety of the fruit, its ripeness, production area, and cultivation environment. The complex interplay of these factors shapes the unique flavors of individual fruits. Therefore, the analysis of aroma components plays an important role in quality control and the development of new fruit varieties. The compounds that make up the aroma of fruits are diverse, including both volatile and non-volatile components, and their numbers can range from dozens to hundreds. These components, which include alcohols, esters, ketones, and acids, possess various chemical structures and contribute to the aroma of the fruit. Gas chromatography mass spectrometry (GC/MS) offers an effective method for objectively evaluating the relationship between aroma and aroma components. This article describes an example of analyzing the aroma components in apples using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050">GCMS-QP2050</a> gas chromatograph mass spectrometer in combination with an<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=HS20+NX"> HS20 NX headspace sampler</a> (Fig. 1).<h4>Multivariate Analysis&nbsp;</h4>Three types of apples, with five samples each (for a total of 15 samples), were measured once. The obtained data were analyzed using SIMCA17 multivariate data analysis software (Informatics Co., Ltd.) to perform principal component analysis (PCA) and hierarchical clustering analysis. The PCA score plot (Fig. 2), loading plot (Fig. 3), and the dendrogram from the hierarchical clustering analysis (Fig. 4) are shown.&nbsp;Based on the PCA score plot, the contribution rate of the first principal component (horizontal axis) is 85.6 %, and the contribution rate of the second principal component (vertical axis) is 10.2 %, totaling 95.8 %. The clear separation of the plots by apple type indicates that there are differences in the aroma of the three varieties. Additionally, the results of the hierarchical clustering analysis show that Jonagold (A) and (B) have relatively similar compositions of aroma components.&nbsp;Table 3 shows the aroma components that are relatively abundant in Jonagold (A) along with the sensory information for each aroma component registered in the Smart Aroma Database.<h4>Conclusion&nbsp;</h4>We analyzed the aroma components of three types of commercially available apples using a GCMS-QP2050 gas chromatograph mass spectrometer. By utilizing an HS-20 NX headspace sampler, we were able to analyze the aroma components of fresh apples with high sensitivity, and the Smart Aroma Database made the process convenient.&nbsp;We consider that scientifically analyzing the differences in aroma components based on factors such as fruit type, variety, ripeness, production area, and cultivation environment is beneficial for quality management and the development of new varieties.

News from LabRulezGCMS Library - Week 10, 2026

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 9th March 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies, Shimadzu and Thermo Fisher Scientific and poster by MDCW / C³AL!<h3>1. Agilent Technologies: Quantitative Volatile PFAS Analysis in Textiles</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_tq_ms_volatile_pfas_textiles_8890_7010d_5994_8966en_agilent_cf4eb4ce36.pdf">Full PDF for download</a></li></ul>Per- and polyfluoroalkyl substances (PFAS) are a group of manmade chemicals widely used in textiles for their water, stain, and oil-repellent properties. For decades, the textile industry has been using PFAS for enhancing fabric durability and performance.1,2 Scientific studies have raised concerns about its potential risks to&nbsp;health.3-5&nbsp;As awareness of these risks has intensified, regulations like REACH/POPs have introduced stringent limits and, in many cases, initiated phase-outs of PFAS usage.6 Industry-driven standards, such as the ZDHC Manufacturing Restricted Substances List, OEKO-TEX Standard 100, AFIRM Restricted Substance List, and Bluesign standards and criteria complement regulations and reflect a global shift toward stricter compliance.7-10 Analytical standards like EN 17681-1:2025 provide test methods for PFAS in textiles.11 To keep pace with evolving regulations and industry initiatives, robust and highly sensitive analytical methods are essential for accurate PFAS detection and quantification in complex textile matrices. This study demonstrates the ability of the Agilent 8890 GC coupled with the Agilent&nbsp;7010D GC/TQ system to detect and quantify more than 30 volatile PFAS analytes across various textile matrices, with comprehensive evaluation of sensitivity, accuracy, and precision.<h4>Experimental</h4>Instrumentation An<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890"> 8890 GC</a> with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7010D">7010D GC/TQ</a> equipped with an HES 2.0 ion source was used for this analysis. An Agilent MMI inlet and splitless liner (part number 5190-2293) were used, and chromatographic separation was performed using an Agilent J&amp;W DB-624 column, 30 m × 0.25 mm, 1.40 μm (part number 122-1334UI). The instrument setup is shown in Figure 1. The acquisition method for 34 native PFAS and four internal mix standards (ISTD), including GC condition and TQ parameters, were described in a previous application note.12<h4>Sample analysis</h4>PFAS are widely used in textile materials due to their exceptional resistance to heat, water, and oil.1,2,13 In this study, PFAS compounds—specifically 8:2 FTOH and 10:2&nbsp;FTOH, were detected above MDLs in sample waterproof shorts, as shown in Figure 5. However, the concentrations of these two compounds remained within the formulation limits set by ZDHC. Although FTOHs are not explicitly listed as individual compounds under the EU POPs regulation, they fall under restrictions applied to related substances such as PFOA, PFCA, and PFHxA. These results demonstrate that the developed method enables accurate and reliable detection of PFAS in apparel products, providing valuable data to support regulatory bodies in risk management and the establishment of appropriate limits.<h4>Conclusion&nbsp;</h4>An accurate and robust method was developed using an Agilent 8890 GC coupled with an Agilent 7010D GC/TQ system for the analysis of volatile PFAS in textiles, following the established analytical guidelines. The workflow delivered excellent performance, achieving sub-ppb MDLs for all targets and LOQs of 10&nbsp;µg/kg for more than 80% of compounds. These results confirm high extraction efficiency and exceptional sensitivity for PFAS in textile matrices. Recovery precision (%RSD) remained within 20% across sample preparations, underscoring method reproducibility and suitability for routine, high-throughput PFAS analysis in materials such as textiles<h3>2. MDCW / C³AL: Microplastics as Vectors of Organic Contaminants on Southern California Beaches: A TD/Py-GC×CG-TOFMS Study</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_18_Nathan_Venegas_C3_AL_2db714dd9b.pdf">Full PDF for download</a></li></ul>Microplastics are increasingly recognized as widespread environmental pollutants that can act as carriers of organic contaminants in marine ecosystems. In this study, researchers from California State University, Los Angeles investigated microplastics collected from several Southern California locations—including Santa Monica State Beach, Doheny State Beach, the Los Angeles River, and the Salton Sea—to better understand the types of organic compounds associated with these particles. The analysis was performed using thermal desorption/pyrolysis comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (TD/Py-<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1097">GC×GC-TOFMS</a>), a powerful analytical approach for characterizing complex mixtures of organic compounds.The results revealed a wide range of organic compounds adsorbed onto microplastic particles, including alkanes, alkenes, alcohols, aromatic and polyaromatic compounds, as well as nitrogen- and sulfur-containing species. Significant variability in contaminant profiles was observed across sampling sites, reflecting differences in local pollution sources and environmental conditions. For example, Santa Monica State Beach samples showed the highest total number of detected compounds, while other sites exhibited distinct chemical signatures linked to their surrounding environments.Overall, the study highlights the important role microplastics can play as vectors for transporting organic contaminants in aquatic environments. The findings demonstrate the usefulness of advanced GC×GC-TOFMS techniques for detailed characterization of contaminants associated with microplastics and contribute to a better understanding of their environmental impact and potential risks to marine ecosystems.<h3>3. Shimadzu: Effectiveness of the MonoTrap Collection Method for VOC Analysis in Exhaled Breath Using GC-MS</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01140_en_076528bbaa.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>Comprehensive analysis of VOCs from non-invasive breath samples is feasible with this system.</li><li>No equipment such as sampling pumps is required, enabling breath collection in remote locations.</li><li>Internal standards support consistent comparison of analytical results across sample groups.</li></ul>Exhaled breath is a non-invasive sample that is easy to collect and imposes minimal burden on subjects. It is known to contain volatile organic compounds (VOCs) that reflect metabolic states and disease conditions within the body. More than 1,000 types of VOCs exist in breath, and numerous studies have reported the search for breath markers across various disease areas, including inflammatory diseases¹) , cancer²) , and metabolic disorders³) . Consequently, extensive research is being conducted in the field of breathomics.&nbsp;While GC-MS is widely used for comprehensive and highly sensitive analysis of trace components in breath, differences in pretreatment steps, such as sample collection, affect measurement results. Therefore, optimizing analytical protocols to enhance reproducibility and consistency is essential.&nbsp;This Application Note compares breath collection methods using Tenax tubes and MonoTrap using a thermal desorption-GC-MS system (Fig. 1) to determine the optimal collection method. Additionally, breath samples from healthy subjects and subjects with inflammatory conditions were analyzed using this analytical system to evaluate the usefulness of measuring and comparing VOC profiles with this approach.<h4>Analytical Conditions</h4>After collection, MonoTrap and Tenax collection tubes were thermally desorbed using the<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=TD-30R"> TD-30R thermal desorption</a> device and analyzed by GC-MS (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2020+NX">GCMS-QP2020 NX</a>). Toluene-d8 was added as an internal standard to confirm analytical stability. Detailed analytical conditions are shown in Table 1.<h4>Summary</h4>This application news evaluated a breath VOC analysis system using thermal desorption–GC–MS with MonoTrap. MonoTrap detected a larger number of VOCs in exhaled breath from healthy subjects compared with the conventional Tenax tube method. Optimization of collection conditions indicated that static collection using one MonoTrap for 24 h is a practical and efficient protocol. Under these conditions, differences in VOC profiles were observed between healthy subjects and subjects with inflammatory conditions. MonoTrap enables breath collection without sampling pumps, and collected samples can be easily stored and transported, making the method suitable for remote sampling. Overall, this system demonstrated the capability for comprehensive VOC profiling of exhaled breath.<h3>4. Thermo Fisher Scientific : Rapid analysis of organochlorine pesticides (OCPs) in soil samples using the EXTREVA ASE accelerated solvent extractor</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_004311_ic_extreva_ocp_soil_testing_an004311_na_en_81a2272b67.pdf">Full PDF for download</a></li></ul>Organochlorine pesticides (OCPs) are persistent environmental contaminants historically used to control pests in agriculture and other applications. Due to their long-term stability and toxicity, many OCPs have been banned or strictly regulated following international agreements such as the Stockholm Convention. Nevertheless, these compounds can remain in environmental matrices like soil for long periods, making reliable analytical methods essential for environmental monitoring. This application note describes a workflow for the determination of OCPs in soil samples using the Thermo Scientific EXTREVA ASE accelerated solvent extraction system, designed to automate and streamline the traditionally labor-intensive sample preparation process.<h4>Experimental approach</h4>Soil samples were prepared by mixing clean loamy soil with diatomaceous earth to improve extraction efficiency and prevent sample compaction. The samples were extracted using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=EXTREVA+ASE">EXTREVA ASE</a> system with an acetone–hexane solvent mixture under controlled temperature and pressure conditions. The system integrates gas-assisted accelerated solvent extraction with automated solvent evaporation, enabling simultaneous extraction of multiple samples with minimal operator intervention. After extraction and concentration to a defined final volume, the analytes were quantified using gas chromatography with electron capture detection (GC-ECD). Calibration standards were prepared across a concentration range of 0.01–0.2 µg/mL to ensure accurate quantification of 20 target OCP compounds.<h4>Results and performance</h4>The developed workflow demonstrated excellent analytical performance. All target pesticides were well separated in the GC-ECD analysis with a total run time of less than 27 minutes. Extraction recoveries for soil samples fortified at 250 µg/kg ranged between 80% and 121%, meeting the US EPA recommended acceptance criteria of 70–130%. Reproducibility was also strong, with relative standard deviations below 20% for all analytes. Carryover between samples remained very low (&lt;0.6%), indicating effective rinsing and minimal cross-contamination. Additional tests confirmed that thermally sensitive compounds such as endrin and DDT showed minimal degradation during extraction.<h4>Conclusion</h4>The EXTREVA ASE system provides a fast and highly automated workflow for the determination of organochlorine pesticides in soil samples. By integrating extraction, solvent evaporation, and endpoint volume control in a single instrument, the system reduces manual handling, lowers solvent consumption, and significantly shortens sample preparation time. The method enables reliable determination of 20 OCPs with high recovery, low carryover, and excellent reproducibility, supporting rapid environmental monitoring workflows and compliance with established US EPA analytical methods.

News from LabRulezGCMS Library - Week 11, 2026

Article

Product

Events

Webinars

Application

Academy

Video

Poster

Scientists

Plastics

Environment

Food

Water

Health

Presentation

Scientific article

Interview

Toxicology

Popularization

Science and research

Software

Covid-19

Career

Laboratories

Various

Zaměření

Type of News

Focus

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

LabRulez

Solid-Phase Extraction (SPE) and Automation Seminar

LABORAMA 360 2026

ACS Spring 2026 Meeting & Expo

Nordics Lab Automation Online Users Meeting

Cost And Maintenance Reduction Through The Use Of Hydrogen Carrier Gas And The Deans Switch When Analysing Silylated Steroids

ecTOF: Advancing Metabolomics with Next‑Generation GC‑HRMS and Dual EI+CI Insight