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

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 16th 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 posters by Agilent Technologies / ASMS and MDCW / William &amp; Mary, application note by Shimadzu and other document by Thermo Fisher Scientific!<h3>1. Agilent Technologies / ASMS: Analysis of Extractables and Leachables in Catheters Using Accurate Mass Libraries and High-Resolution GC/MS and LC/MS</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_7250_revident_extractables_leachables_asms_2025_tp_317_en_agilent_e6d3b2e923.pdf">Full PDF for download</a></li></ul>Materials used in the production of medical devices contain substances that have the potential to leach from the devices. Extractables and leachables (E&amp;L) represent a range of structurally diverse compounds including antioxidants, UV absorbers, dyes, catalysts, plasticizers and polymer degradation products. Therefore, both liquid and gas chromatography techniques coupled with mass spectrometry detectors (LC/MS and GC/MS) are utilized to achieve a comprehensive chemical characterization. Application-specific accurate mass libraries combined with an efficient screening workflow, helps to increase confidence in compound identification that saves time on reviewing data while focused on E/L relevant compounds. In this study, we analyzed catheters extracts using high-resolution MS and performed data analysis using accurate mass libraries.<h4>Experimental</h4>Catheters from three suppliers were used in this study. Catheter A was made from PVC, and did not include DEHP, DINP, BPA or natural rubber latex. Catheter B was made with natural rubber latex base and silicone elastomer coating, and there was no claim to be phthalate or BPA free. Catheter C was a silicone-coated latex catheter made with natural rubber latex base and no DEHP or BPA. E&amp;L standards were obtained from AChemTek. Catheters were extracted with ethanol:water 1:1 solvent at 37 ˚C for 24 and 48 hours as well as 7 days and analyzed using GC/Q-TOF and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=Revident+LC%2FQ-TOF">LC/Q-TOF systems</a>. The GC/MS analysis was performed using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC">8890 GC</a> coupled to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7250+GC%2FQ-TOF">7250 Q-TOF</a> and the new Agilent low bleed DB-5Q column.<h4>Results and Discussion</h4><h5>Accurate Mass E&amp;L Library for GC/Q-TOF</h5>To create a new Agilent accurate mass E&amp;L Personal Compound Database Library (PCDL) for GC/Q-TOF, over 400 spectra have been collected for E&amp;L compounds. All accurate mass fragment ions in each spectrum have been annotated with formulas based on accurate mass information and isotope ratios (Figure 3). The fragment formula annotations were then verified and converted to the theoretical m/z.<h4>Conclusions</h4><ul><li>A combined workflow for the analysis of extractables and leachables by high-resolution GC/MS and LC/MS was developed using catheter extracts.</li><li>Both GC/MS and LC/MS techniques were necessary to cover a comprehensive list of E&amp;L compounds. Although several E&amp;L compounds were detected by both GC/MS and LC/MS, in most cases hydrocarbons, most plasticizers, and some antioxidants were more amenable to GC/MS.</li></ul><h3>2. MDCW / William &amp; Mary: A sustainable approach to nontargeted analysis using hydrogen as a carrier gas for GC×GC</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_13_Fisher_2c50f2c420.pdf">Full PDF for download</a></li></ul>Comprehensive two-dimensional gas chromatography (GC×GC) is a separation technique used to separate complex mixtures based on two different retention mechanisms, usually polarity and volatility. A nontargeted approach is commonly used for a separation technique such as GC×GC. This type of approach means that instead of looking for one or two specific components and disregarding the rest of the sample, the whole sample can be viewed exhaustively. This approach is more applicable for forensic cases especially, where the identity or composition of the sample is unknown. It is also a more sustainable approach because only one run is needed to have the full characterization of a sample instead of needing to run a sample multiple times with a different target analyte each time.<h4>EXPERIMENTAL</h4><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/37">LECO’s Pegasus BT4D</a> instrument was used for this project.</li></ul><h4>RESULTS</h4>AGREEprep Comparisons: The overall scores for the two methods were 0.44 and 0.52 for helium and hydrogen, respectively. This means that the hydrogen method is more sustainable than the helium method. The criteria breakdown in Figure 6 shows the 10 different criteria used to score the methods, including sample throughput, sample preparation steps, and sustainable material usage, namely carrier gas choice.<h4>CONCLUSIONS</h4>The Restek EZGZ Method Translator can be used to provide three possible hydrogen methods for any given helium method. After inputting the values of a helium method, the respective hydrogen values are given for three possible methods, each prioritizing something different: translate, efficiency, and speed. The translate method was chosen as the best choice.&nbsp;The hydrogen method achieved a higher score on the AGREEprep metric, meaning that this method is more sustainable that the helium method. This better score is solely due to the carrier gas change – everything else in the methods stayed constant.&nbsp;Hydrogen as a carrier gas allows for higher sample throughput and faster run times. It can also be a renewable resource, made through the electrolysis of water in a laboratory using a generator.&nbsp;A nontargeted approach is inherently greener than a targeted approach because instead of re-running a sample multiple times to analyze a different component each time, the whole picture was captured from the beginning and can be looked at through a different lens to analyze a new component.<h3>3. Shimadzu: Analysis of PFAS in Textiles Based on EN 17681-1 and EN 17681-2</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01108_en_e04fe25939.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>Combining LCMS and GCMS enables the determination of PFAS below threshold limits in textiles.&nbsp;</li><li>Spike recovery test shows good percentage recoveries of all compounds (70–130 %) that are at or below the EU POPs threshold limit (25 ppb).</li><li>LabSolutions software offers integrated control over GCMS and LCMS for more efficient testing and data analysis.</li></ul>Per- and polyfluoroalkyl substances (PFAS) are used in a wide range of applications because of their useful properties, such as heat resistance and water repellency. However, PFAS are also extremely stable substances that resist degradation and accumulate in the environment, which has led to concerns about their effects on humans. Since eliminating sources of PFAS is essential to prevent them from accumulating in the environment and in living organisms, many countries are passing laws that restrict the production, distribution, and use of PFAS in products. For example, the EU POPs Regulation sets a permitted threshold of up to 0.025 mg/kg (25 ppb) for certain PFAS (including PFOA, PFOS, and PFHxS) in substances, mixtures, and products1).&nbsp;EN 17681 is a European standard that describes methods for determining PFAS in textiles. The EN 17681 standard is divided into two parts according to the target compounds and methods. EN 17681-1 describes an LC/MS/MS method that targets ionic PFAS, and EN 17681-2 describes a GC/MS(/MS) method that targets certain semi-volatile and volatile neutral PFAS. A 2025 revision of EN 17681-1 changed the sample preparation method for more efficient PFAS extraction2),3).&nbsp;This Application News describes the analysis of the target compounds shown in Table 1 based on the EN 17681-1 and EN 17681-2 standards, using both LC/MS/MS and GC/MS/MS.<h4>&nbsp;EN 17681-1 (LC/MS/MS) Analysis Conditions</h4>Analysis was performed using the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-8050RX">LCMS-8050RX triple quadrupole mass spectrometer</a> (Fig. 1, left). The analysis conditions used are shown in Table 3. Analyzing PFAS necessitates caution because PFAS can leach from the analytical system, the mobile phase or other sources. PFAS contamination from the system was minimized by attaching a delay column between the mixer and autosampler. The mobile phase was also prepared using PFAS grade reagents.<h4>EN 17681-2 (GC/MS(/MS)) Analysis Conditions</h4>Analysis was performed using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8050+NX">GCMS-TQ8050 NX triple quadrupole mass spectrometer</a> (Fig. 1, right) that was equipped with a boosted efficiency ion source (BEIS). The BEIS optimizes the electron beam focus for maximum ionization efficiency, enabling reliable analysis of PFAS at very low levels. The analysis conditions used are shown in Table 4.<h4>Results from Analysis of Ski Wear</h4>Old ski clothing was used as a sample. The results obtained from analyzing this sample by the EN 17681-1 (LC/MS/MS) method are shown in Fig. 11. To investigate the effect of the EN 17681- 1:2025 update, analysis was performed using both the preupdate (EN 17681-1:2022) and post-update (EN 17681-1:2025) sample preparation methods. The alkaline hydrolysis treatment used by the EN 17681-1:2025 method dramatically increased the amounts of NMeFOSE, 6:2 FTOH, 8:2 FTOH, and 10:2 FTOH that were detected, and these compounds were detected at levels above the upper limit of their respective calibration curve ranges. This shows that PFAS extraction is improved by using the updated EN 17681-1:2025 sample preparation method. Of the 33 compounds targeted by the LC/MS/MS method, 20 were detected in the sample.&nbsp;Analyzing the sample by GC/MS/MS using the EN 17681-2 method detected 8 out of the 12 compounds targeted by the EN 17681-2 method. Of these, 8:2 FTOH and 10:2 FTOH were detected at levels above the upper limit of their respective calibration curve ranges (Fig. 12).<h4>Conclusion&nbsp;</h4>The analysis of PFAS in textiles was performed according to EN 17681-1 and EN 17681-2 standards, utilizing the LCMS-8050RX and GCMS-TQ8050 NX systems. By combining LC/MS/MS analysis and GC/MS analysis, all target compounds were successfully measured at levels of 25 ppb or less. Spike recovery test at the EU POPs threshold limit (25 ppb) also demonstrated good percentage recovery (70–130 %) for all compounds. Results also showed that PFAS extraction was improved by using the EN 17681-1:2025 sample preparation method, which was updated in 2025.<h3>4. Thermo Fisher Scientific: Fast on-line monitoring of flare gases</h3><ul><li>Other document</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/fast_on_line_monitoring_of_flare_gases_wp1635_27fa9188ff.pdf">Full PDF for download</a></li></ul><h4>Measurement of flare gas streams by process mass spectrometry</h4>Process mass spectrometry (MS) is particularly suited to the measurement of flare gas streams because it offers accurate, fast, multicomponent analysis. Table 1 shows an example of a flare gas stream containing hydrogen, nitrogen and hydrocarbons up to C6. Analysis of these eleven components will typically be performed in just 20 seconds, allowing one mass spectrometer to monitor more than one flare, depending on the distances involved. Alternatively, one MS can be used to measure process streams and flare streams, even though the composition and concentrations may be very different.<h4>Advantages of magnetic sector MS&nbsp;</h4>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 online gas analysis. Thermo Scientific™ Prima PRO process mass spectrometers (Figure 1) offer ideal capabilities for industrial 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;Neutral gas atoms and molecules are first converted into positively charged ions in the Prima PRO MS ion source. This is an enclosed type for high sensitivity, minimum background interference and maximum contamination resistance. It 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 internal vacuum components. Prima PRO MS has a proven track record of monitoring high percent level concentrations of organic compounds without experiencing drift or contamination.Ions are then accelerated through a flight tube, where they are separated by their mass to charge ratios in a magnetic field of variable strength. Since the magnetic sector mass spectrometer produces a focused ion beam at the detector, the peak shape obtained is ‘flat-topped’ and uniform response is observed over a finite mass width. As the height of the peak is directly proportional to the number of ions striking the detector it is also directly proportional to the concentration of the component being measured. As long as the measurement is taken anywhere on the peak’s flat top, high precision analysis will be observed.The Prima PRO MS’ ability to measure over a wide dynamic range is critically important if the varying composition levels in flare gas are to be measured accurately. The Prima PRO MS has been independently evaluated by EffecTech UK, an independent specialist company providing accredited calibration and testing services to the energy and power industries for gas quality, flow and total energy metering. It is accredited to internationally recognized ISO/IEC 17025:2005 standards; this specifies the general requirements for the competence to carry out tests and/ or calibrations, including sampling.<h4>Summary&nbsp;</h4>Magnetic sector MS, as evidenced by the Prima PRO process MS performance, provides fast, accurate on-line analysis of flare gas composition. The inherent power of magnetic sector mass spectrometry, combined with the flexibility of GasWorks software, enables one Prima PRO MS to monitor not only flare gas streams, but also multiple process streams. Root cause fault analysis is therefore greatly facilitated, by comparing the detailed composition data from the flare gas stream with that of the various process streams. As well as complete compositional analysis, Prima PRO MS provides accurate fuel gas properties, including LHV, HHV, density, specific gravity, Wobbe Index, stoichiometric air requirement and CARI. This ensures waste gases are burnt to complete combustion and unburned pollutants are not emitted from the flare.

News from LabRulezGCMS Library - Week 12, 2026

The quality of drinking water is under closer scrutiny than ever before. Beyond microbiological safety and major chemical contaminants, trace-level organic compounds increasingly determine whether water is perceived as clean, safe, and acceptable by consumers. Among these substances, volatile organic compounds (VOCs) play a central role — both from a regulatory and a sensory perspective.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_VOC_Analysis_in_Drinking_Water_Achieving_ppt_Level_Sensitivity_with_ITEX_Dynamic_Headspace_GC_MS_b4de2f994a.jpg" alt="Thermo Fisher Scientific: VOC Analysis in Drinking Water: Achieving ppt-Level Sensitivity with ITEX Dynamic Headspace GC-MS" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_VOC_Analysis_in_Drinking_Water_Achieving_ppt_Level_Sensitivity_with_ITEX_Dynamic_Headspace_GC_MS_b4de2f994a.jpg 245w," sizes="100vw" width="1024" height="512">Modern analytical laboratories face a dual challenge: complying with stringent legal requirements while simultaneously detecting compounds that are noticeable by humans at concentrations far below established health-based limits. This is particularly true for odor-active VOCs, where customer complaints may arise even when water is fully compliant.<h3>What are VOCs — and why are they so challenging?</h3>VOCs are a heterogeneous group of compounds defined primarily by their physical properties rather than their chemical structure. They typically exhibit:<ul><li>Low molecular weight</li><li>Relatively low boiling points (approximately 50–260 °C)</li><li>High vapor pressure</li><li>Low to moderate solubility in water</li></ul>This group includes substances such as light halogenated hydrocarbons (LHKW), aromatic hydrocarbons (BTEX), and trihalomethanes (THMs), many of which are regulated in drinking water due to toxicological concerns or their role as disinfection by-products from an analytical standpoint, these same properties make VOCs difficult to quantify at ultra-trace levels. Losses during sample handling, insufficient enrichment, and water interference can all limit sensitivity — especially when target concentrations are in the low µg/L or ng/L range.<h3>Regulatory pressure drives method sensitivity</h3>European drinking water legislation defines not only maximum allowable concentrations but also strict performance criteria for analytical methods. <a target="_blank" rel="noopener noreferrer" href="https://eur-lex.europa.eu/eli/dir/2009/90/oj/eng?utm_source=chatgpt.com">Directive 2009/90/EC</a> requires limits of quantification to be no higher than 30% of the applicable environmental quality standard. For many VOCs, this translates directly into ppt-level analytical requirements.As a result, laboratories must rely on techniques that go beyond conventional workflows while still maintaining robustness, reproducibility, and ease of use.<h3>Headspace GC-MS: established — but not always sufficient</h3>Headspace GC-MS remains a cornerstone of VOC analysis in water. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/64">Static headspace</a> (SHS) methods are widely used due to their simplicity, cleanliness, and compatibility with routine laboratories. However, SHS relies on a single equilibrium extraction of the gas phase, which can limit sensitivity — particularly for very volatile compounds or analytes present at trace concentrations.For these applications, additional enrichment steps are often required.<h3>ITEX dynamic headspace: turning sampling into enrichment</h3><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/order/catalog/product/1R77010-1125">ITEX (In-Tube Extraction) Dynamic Headspace</a> bridges the gap between simplicity and sensitivity. Unlike static headspace, ITEX repeatedly draws defined volumes of headspace gas through an adsorbent trap, actively enriching analytes before injection into the GC system.This dynamic approach offers several decisive advantages:<ul><li>True analyte enrichment directly from the headspace</li><li>Solvent-free sample preparation</li><li>Reduced risk of contamination and carryover due to a closed, syringe-based design</li><li>Straightforward maintenance with easy access to trap and syringe components</li></ul>By passing the headspace through the trap multiple times, ITEX effectively increases the sampled analyte mass without increasing sample volume — a key advantage for ppt-level analysis.<h3>Tailored adsorbents for targeted performance</h3>ITEX performance can be optimized through the selection of appropriate adsorbent materials:<ul><li>Tenax TA for volatile and semi-volatile compounds</li><li>Carbopack for hydrophobic analytes with minimized water displacement</li><li>Carboxen and Carbosieve materials for very volatile compounds such as vinyl chloride</li></ul>This flexibility allows laboratories to adapt ITEX methods to a wide range of drinking water applications, from regulatory VOC panels to specialized odor investigations.<h3>Managing water — without compromising sensitivity</h3>Water is often the hidden enemy of trace VOC analysis. In ITEX, excess water can be efficiently removed by purging the trap with inert gas at low temperature before thermal desorption. The trap itself can then be heated to temperatures of up to 350 °C, ensuring complete desorption of analytes while maintaining excellent repeatability.Carryover testing demonstrated values of ≤0.027% for all analytes, even without blank subtraction — a critical requirement for trace analysis in regulated environments.<h3>Chromatographic focusing for very volatile compounds</h3>Highly volatile VOCs remain chromatographically challenging, even after enrichment. Combining ITEX with <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/chromatography/gas-chromatography-gc/gc-systems/modules.html">PTV injection</a> and dedicated focusing liners significantly improves peak shape and signal-to-noise ratio. This double-focusing approach is especially effective for compounds such as vinyl chloride and other light halogenated hydrocarbons. When paired with SIM acquisition in <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484">GC-MS</a>, the result is robust, sensitive, and selective detection across a broad VOC range.<h3>Taste and odor: why ppt really matters</h3>One of the most demanding applications in drinking water analysis is the detection of odor-active compounds such as geosmin. Produced naturally by cyanobacteria and actinomycetes, geosmin causes an earthy, musty taste and odor that consumers can detect at concentrations as low as 5–10 ng/L.Although geosmin poses no health risk, even trace levels can trigger complaints and damage public trust. ITEX Dynamic Headspace GC-MS enables reliable detection well below the sensory threshold, supporting proactive water quality management rather than reactive troubleshooting.<h3>Automation and flexibility for the modern laboratory</h3>Drinking water laboratories often analyze a wide range of sample types and concentration levels. Automated platforms such as the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/422">TriPlus RSH SMART</a> autosampler support multiple injection and sampling techniques — including liquid injection, static headspace, SPME, and ITEX — with automatic tool change functionality.Intelligent sequence control and consumable monitoring help laboratories maximize productivity while maintaining consistent analytical performance.<h3>Conclusion: a future-proof approach to VOC analysis</h3>ITEX Dynamic Headspace has proven to be a powerful and versatile alternative to purge-and-trap for the analysis of VOCs in drinking water. Its ability to deliver ppt-level sensitivity, combined with operational simplicity and excellent robustness, makes it ideally suited for both regulatory compliance and advanced odor analysis.When integrated with PTV injection and SIM-based GC-MS detection, ITEX-DHS supports reliable quantification of even the most challenging VOCs — helping laboratories meet today’s requirements while preparing for tomorrow’s expectationsCall to action:To learn more about this interesting technology in a FREE webinar, register here:<ul><li><a target="_blank" rel="noopener noreferrer" href="https://event.on24.com/wcc/r/5250532/C85F8F6AC85928EE5DB65E38D3C9B23F">April 23-Trinkwasserübewachung mit der ITEX</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://event.on24.com/wcc/r/5250534/258DDD452DE6AAA5FDEB0E72CBF70889">June 11th VOC Analytik in Trinkwasser mittels Headspace GC-MS und ITEX</a></li></ul><h3>Acknowledgement</h3>I would like to thank Dr. Klaus Schrickel, Thermo Fisher Scientific Dreieich, Germany, for the contribution to this blog.<ul><li>Visit us on&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a>&nbsp;#GC #GC/MS # ITEX #Headspace</li></ul><blockquote><h5>Petra Gerhards</h5>Petra Gerhards, Dipl-Ing, is Regional Marketing Manager of GC and GC-MS for EMEA at Thermo Fisher Scientific. She has more than 29 years of experience in the fields of GC-MS, SPE and LC-MS. Since joining the regional team she has contributed to workflow solutions combining vials and closures with SPE solutions, GC-MS and LC-MS. She works with KOL's on data for regional specific marketing campaigns, organizes in-house seminars and works on customer specific solutions. Her main expertise is in the field of doping and drugs-of-abuse analysis.</blockquote>

VOC Analysis in Drinking Water: Achieving ppt-Level Sensitivity with ITEX Dynamic Headspace GC-MS

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 23rd 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 presentation by MDCW / Mount Royal University!<h3>1. Agilent Technologies: Analysis of Epichlorohydrin in Drinking Water</h3>Using the Tekmar Atomx XYZ P&amp;T, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890">Agilent 8890 GC</a>, and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977C">Agilent 5977C GC/MSD</a><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_epichlorohydrin_analysis_drinking_water_5994_8787en_agilent_9708db9a54.pdf">Full PDF for download</a></li></ul>The Tekmar Atomx XYZ is Teledyne LABS' most advanced P&amp;T system and is based on the time-tested Atomx instrument platform. The concentrator's efficient trap cooling design reduces sample cycle time by as much as 14% over the previous model. Combined with its 84-position soil and water autosampler, the result is more samples tested per 12-hour period. An innovative moisture control system (MCS) improves water vapor removal, thereby reducing peak interference and increasing GC column life span. In addition to other refinements, the Atomx XYZ incorporates a precision-machined valve manifold block to reduce potential leak sources and ensure the system is both reliable and robust.<h4>Conclusion&nbsp;</h4>This study demonstrates the capability of the Teledyne LABS Tekmar Atomx XYZ P&amp;T concentrator to process low‑level ECH in drinking water samples, with detection performed using an Agilent&nbsp;8890 GC and Agilent 5977C GC/MSD. The linearity of the calibration curve from 10 to 500&nbsp;ppt passed method requirements, including verification of the initial calibration curve. The 10&nbsp;ppt standard passed the lower limit of quantitation (LLOQ) within ± 50% of its true value, while all other calibration levels (&gt; LLOQ) passed within ± 30%. The blank following the highest point in the calibration curve passed method carryover requirements by remaining below half pf the LLOQ. Furthermore, the application proved robust during a long‑term study with 40 samples of a 30&nbsp;ppt ECH standard, achieving 4.3% precision and 92% accuracy of the&nbsp;recovery.<h3>2. MDCW / Mount Royal University: Selection, Optimization, and Validation of Thermal Desorption for analysis of VOCs and PAHs in Combustion Emissions</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_21_Marx_a94d951603.pdf">Full PDF for download</a></li></ul>The study focused on optimizing and validating thermal desorption (TD) as a sampling technique for volatile organic compounds (VOCs) and polycyclic aromatic hydrocarbons (PAHs) generated during combustion emissions, particularly from wildland fires. Smoke from these fires contains chemically complex mixtures of pollutants that can persist in the atmosphere and impact air quality over large geographic regions. Traditional sampling methods often emphasize particulate-bound compounds, while gas-phase organics—critical for understanding secondary organic aerosol formation—may be underrepresented. Thermal desorption was evaluated as a modern alternative capable of capturing both gas- and particle-phase compounds.To determine optimal sampling conditions, multiple sorbent tube configurations were compared using a mixture of 41 standard VOC and PAH compounds across various concentration levels. Performance metrics included analyte recovery, linearity, and detection limits. The results showed that multibed sorbent tubes significantly expanded analyte coverage and improved retention of combustion-related species. Additionally, factorial studies investigating conditioning and desorption parameters revealed that reducing temperature or duration did not improve artefact removal or analyte recovery, highlighting the importance of robust standardized conditions.The methodology was further evaluated through storage stability trials and real smoke emission sampling experiments. Samples demonstrated stable analyte retention for up to 35 days, supporting the suitability of TD sampling for field studies requiring delayed analysis. Validation experiments involving combustion of white spruce and analysis by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=6&amp;search=unity-xr">TD</a>-GC×GC-ToFMS produced highly detailed chromatographic data, identifying over 1 600 peaks per sample. Approximately 78 % of detected compounds fell within the C6–C14 range, while 19 of the 41 target analytes—including all PAHs and BTEX species—were successfully identified.Overall, the study confirmed that thermal desorption combined with comprehensive two-dimensional gas chromatography offers a powerful approach for characterizing complex combustion emissions. The optimized multibed sorbent strategy and validated sampling workflow enable more accurate profiling of smoke-derived VOCs and PAHs, providing valuable insights into air quality impacts and atmospheric chemistry processes associated with large-scale wildfires.<h3>3. Shimadzu: Analysis of Base Material and Additives in Tire Rubber</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00901_en_7200aa4e86.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>With a split FPD(S) and MS detector system, sulfur compounds can be detected selectively and with high sensitivity by the FPD detector while being qualitatively analyzed simultaneously by the MS detector, which significantly reduces the time and effort required.</li><li>The LabSolutions GCMS system makes it easy to configure settings for complex detector splitting.</li><li>With evolved gas analysis, polymer materials can be inferred from thermogram average mass spectra.</li></ul>The rubber used in tires for automobiles, bicycles, and other types of tires needs to have high resistance to the weather, heat, and wear for long periods of use. But as the rubber wears, it mixes with mineral particles from the road to generate “tire and road wear particles” (TRWP). TRWP matter is known to be a type of microplastic that causes marine plastic pollution.&nbsp;TRWP can contain a large variety of substances, such as vulcanizing accelerators, antioxidants (such as 6PPD), and plasticizers, and when released into the environment, TRWP substances can be harmful to ecosystems. Therefore, to reduce the quantity of TRWP matter released, it is important to increase the wear resistance of tires. To achieve this, an assessment of the base materials and additives in rubber is essential. Among additives, vulcanizing accelerators in particular improve the physical properties of tires by promoting sulfur vulcanization reactions.&nbsp;This article analyzes the base materials in tire rubber and additives, such as vulcanizing accelerators and other sulfur components.<h4>Analysis Process Flow</h4>A pyrolysis gas chromatograph mass spectrometer (Py-GC-MS) system was used, as specified in the international standard ISO/TS 21396. 1) Simply placing cut-up samples in a sample cup (Fig. 1) enables direct analysis of samples without pretreatment. The analytical process flow isindicated in Fig. 2.<ul><li>Pyrolyzer Unit: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=42&amp;search=EGA%2FPY-3030D">EGA/PY-3030D</a> Multi-Shot Pyrolyzer AS-1020E Auto-Shot Sampler (Frontier Laboratories Ltd.)</li><li>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></li></ul><h4>Inferring Polymers</h4>The evolved gas analysis (EGA-MS) method uses pyrolyzer (Py) and mass spectrometer (MS) units linked via a deactivated metal tube to heat samples to continuously increasing temperatures to generate gases from the samples, which are then detected by the MS.&nbsp;Samples (0.2 mg) of tire rubber fragments were placed in sample cups, with fiberglass wool inserted to prevent them from dropping, and then analyzed. Analysis conditions are indicated in Table 1.&nbsp;Thermograms obtained from that analysis are shown in Fig. 5. Originally, the horizontal axis of the thermogram is the time, but the heating temperature of the pyrolyzer can be calculated from the time. Peaks from polymer thermal decomposition products appear across the range of 370 to 500 °C. The average MS spectrum for that peak range and the results from inferring the polymer are shown in Fig. 6. Based on the F-Search EGA-MS Polymer Library (Frontier Laboratories Ltd.), the base material in the tire rubber was inferred to be styrene-butadiene rubber (SBR).&nbsp;Enlarging the thermogram shows a shoulder peak between 240 and 370 °C. Assuming that the shoulder peak originated from an additive, a thermal desorption analysis was carried out with the temperature range from 60 to 370 °C.<h4>Conclusion</h4>By combining FPD (S) that selectively and sensitively detects sulfur compounds, with Py-GC-MS, sulfur compounds in tire rubber were easily detected and simultaneously analyzed qualitatively by the MS.<h3>4. Thermo Fisher Scientific: Natural Gas Analysis in Hazardous Locations Using Raman Spectroscopy and Chemometric Modeling</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/marqmetrix_all_in_one_x_process_raman_analyzer_an1350_en_0ba9fa1165.pdf">Full PDF for download</a></li></ul>Natural gas is a fossil fuel composed primarily of methane, with smaller amounts of other hydrocarbons and impurities. Formed from ancient marine organisms under heat and pressure, natural gas is used as a combustion source for heating, electricity generation, vehicle fuel, and as a feedstock in chemical production. It is considered to be a cleanerburning alternative to other fossil fuels, contributing to reduced greenhouse gas emissions and air pollutants.&nbsp;The measurement and analysis of natural gas is a vital process that demands both speed and precision. Accurate natural gas measurements have far-reaching implications. They ensure revenue accuracy and facilitate fair financial transactions between producers, which is crucial for the economic integrity of the industry. Additionally, these measurements are essential for regulatory compliance, as they ensure adherence to stringent government and industrial standards.&nbsp;Operational efficiency of gas-using industries is also impacted by accurate natural gas measurement. By obtaining trustworthy and precise data, operators can optimize their processes, reduce waste, and ultimately enhance the overall efficiency of their operations. Furthermore, the measurement of natural gas plays a significant role in safety assurance and environmental protection. By accurately measuring methane content and detecting any irregularities in the natural gas stream, operators can address potential safety hazards and mitigate environmental issues, thereby promoting safer and more sustainable practices within the industry.&nbsp;Raman spectroscopy is an exceptionally powerful tool that can effectively address the myriad challenges associated with natural gas measurements. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2208">MarqMetrix All-In-One X Process Raman Analyzer</a>, when equipped with a flow cell or an immersion probe, offers the capability for non-invasive, in-situ measurements of natural gas directly within pipelines or process equipment. This innovative approach eliminates the need for traditional sampling systems or loops, thereby significantly reducing both the cost and operational disruptions typically associated with gas sampling.&nbsp;The versatility of the MarqMetrix All-In-One X analyzer is underscored by its ability to operate reliably across a wide range of conditions, performing consistently under varying temperature and pressure regimes. Moreover, the hazardous location configuration enhances the instrument’s capabilities even further, enabling the analyzer to function safely and effectively in some of the harshest and most hazardous operating environments. This robust configuration ensures that accurate and reliable natural gas measurements can be obtained even in extreme conditions, providing a critical tool for maintaining operational efficiency, safety, and regulatory&nbsp;compliance.<h4>Results&nbsp;</h4>The spectra produced, along with the reference data obtained from the certificates of analysis accompanying the gas cylinders, were imported into SOLO software. Using this dataset, Partial Least Squares (PLS) regression models were constructed for each of the hydrocarbons present in the natural gas standards. The models underwent rigorous optimization processes, focusing on variable selection, determination of latent variables, and appropriate preprocessing techniques.&nbsp;Variable selection emerged as a crucial step in the modeling process due to the significant covariance observed among the different hydrocarbons within the natural gas standards. By carefully selecting specific regions of the spectra that correspond exclusively to the hydrocarbons of interest in each model, the independence and relevance of the information utilized in the model were significantly enhanced. This careful selection process ensures that the PLS regression models are robust and accurate, leading to more reliable predictions and analyses of the hydrocarbon content in the natural gas&nbsp;samples.&nbsp;Given the lower concentration and relatively lower intensities of the butane and pentane peaks, a wider range of variables were selected to build the models.<h4>Conclusion&nbsp;</h4>In conclusion, the MarqMetrix All-In-One X Process Raman Analyzer along with a Thermo Scientific™ MarqMetrix™ FlowCell™ Sampling Optic, both developed to be operated in ATEX Zone 0, proved to be a highly effective solution for collecting and analyzing the spectra of natural gas standards. The resulting data produced robust PLS regression models for each hydrocarbon component. Careful variable selection and optimization enhanced the independence and relevance of the models, resulting in accurate and reliable predictions. The performance of these models demonstrated excellent linearity, resolution, and sensitivity across the range of natural gas components. This study underscores the viability and applicability of Raman spectroscopy, coupled with advanced chemometric modeling, for precise and reliable natural gas analysis in hazardous&nbsp;environments.

News from LabRulezGCMS Library - Week 13, 2026

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 30th 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, Thermo Fisher Scientific, brochure by Shimadzu and presentation by MDCW / LECO!<h3>1. Agilent Technologies: Extraction and Analysis of Pesticides from Water by Solid Phase Extraction and 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_extraction_analysis_pesticides_water_gcms_5994_8996en_agilent_28fc35d0e7.pdf">Full PDF for download</a></li></ul>Drinking water is defined as water intended for human consumption obtained from different sources. Several guidelines/regulations exist for ensuring that undesirable substances such as pesticides are not present in excessive amounts that may be harmful to human health. These regulations ensure that water intended for human consumption can be consumed safely. In India, the Bureau of Indian Standards (BIS) has set regulatory limits for residual pesticides in drinking water (IS 10500)1 , packaged drinking water (IS 14543)2 , and natural mineral water (IS 13428).3 A total of 26 pesticides are regulated by BIS standards, of which four compounds (monocrotophos, phorate, 2,4-D, and isoproturon) are more suitable for analysis by liquid chromatography.&nbsp;EPA Method 525.2 is a general-purpose method for determination of organic compounds in finished drinking water or water from any source or treatment stage.4 This method is applicable to a range of organic compounds that are partitioned from the water sample onto a C18 organic phase packed in a disk or cartridge. The organic compounds are then eluted using a suitable eluent, concentrated, and analyzed by GC/MS.&nbsp;This application note describes the use of EPA Method 525.2 for extraction of pesticide residues at trace levels in water using solid-phase extraction (Agilent Bond Elut C18: Straight barrel cartridges, p/n 12102118) and analysis using Agilent 8890-5977 GC/MS.&nbsp;Excellent linearity with R2 &gt; 0.995 was obtained for all pesticides considered for the study. Recoveries were obtained in the range of 80–120% with associated RSDs &lt; 15% at 0.005–0.080 ng/mL level of fortification.<h4>Experimental</h4><h5>Instrument parameters</h5><ul><li>GC: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890">Agilent 8890</a></li><li>Column: Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=J%26W+HP-5ms">J&amp;W HP-5ms</a> UI 30 m × 0.25 mm, 0.25 μm&nbsp;</li><li>Carrier Gas: Helium, constant flow, 1.2 mL/min&nbsp;</li><li>Inlet: Agilent Multimode Inlet (MMI)</li><li>MS: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5977">5977 GC/MS</a></li></ul><h4>Conclusion&nbsp;</h4>A simple, easy, and efficient method based on EPA 525.2 was implemented for the determination of 22 pesticides in water. The method demonstrated good sensitivity, precision, and accuracy, and allows for rapid analysis. The results demonstrate that pesticide residues can be detected below the current maximum residue levels (MRL) required by the BIS specifications. Acceptable recoveries and precision were obtained at concentrations as low as 5 ng/L for all pesticides. The method is ideally suited for use in a regulatory laboratory for the determination of pesticides in surface, drinking, and packaged drinking water.<h3>2. MDCW / LECO: Exploring PFAS in Consumer Goods Using GCxGC and High-Resolution Mass Spectrometry</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_3_Alonso_6f61e3ea43.pdf">Full PDF for download</a></li></ul>Per- and polyfluoroalkyl substances (PFAS) are widely used in consumer and industrial products due to their unique physicochemical properties, but their persistence and potential health risks have made their detection increasingly important. This study focuses on developing an untargeted analytical approach for screening PFAS and related compounds in consumer goods using advanced chromatographic and mass spectrometric techniques.The analytical workflow combines gas chromatography with time-of-flight mass spectrometry (GC-TOFMS) and comprehensive two-dimensional gas chromatography coupled with high-resolution TOFMS (GC×GC-HRTOFMS), using systems such as the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1097">LECO Pegasus® BTX </a>and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/38">Pegasus® HRT+</a> platforms. Sample introduction is performed via thermal desorption or pyrolysis, enabling analysis of both volatile and complex matrices. High-resolution MS provides accurate mass measurements and elemental composition, which are essential for identifying unknown compounds and reducing matrix interferences.In the first case study, anti-fog solutions were analyzed and found to contain a wide range of compounds, including fluorotelomer alcohols and related PFAS species. While GC-TOFMS enabled initial screening, high-resolution TOFMS was necessary to characterize unknown compounds through accurate mass determination and complementary ionization techniques (EI and PCI). This approach allowed tentative structural assignment using external databases, demonstrating the importance of HRMS in identifying compounds not present in standard libraries.The second case study focused on chewing gum, a highly complex matrix with diverse chemical constituents and trace-level analytes. The use of GC×GC-HRTOFMS significantly improved chromatographic separation and spectral clarity, enabling detailed profiling of volatile and semi-volatile compounds. A dedicated PFAS screening workflow based on mass defect analysis and spectral filtering was applied, leveraging the characteristic CF₂ patterns of PFAS molecules to simplify data interpretation.Despite the complexity of the sample, no PFAS were detected in the chewing gum, its packaging, or the box. Overall, the study demonstrates that combining GC×GC separation, high-resolution mass spectrometry, and advanced data processing tools provides a powerful and reliable strategy for untargeted PFAS screening in complex consumer products, particularly when unknown or emerging contaminants are of concern.<h3>3. Shimadzu: Gas Chromatograph Nexis GC-2060</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c184_e056_06c3456516.pdf">Full PDF for download</a></li></ul>The Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexis+GC-2060">Nexis GC-2060</a> represents a new generation of gas chromatographs, built on over 70 years of GC development and designed to serve as a flexible and future-proof analytical platform. It integrates the concept of Analytical Intelligence, which enables automated system monitoring, troubleshooting, and optimization, helping both experienced and less experienced users achieve reliable and consistent results. The system is highly configurable, supporting up to two injectors, three injection units, and four detectors simultaneously, allowing a single instrument to cover multiple analytical applications.A key advantage of the Nexis GC-2060 is its versatility in sample introduction and detection. The Multi-Mode Injection Unit (MMI) supports a wide range of injection techniques, including split/splitless, PTV, direct injection, large-volume injection (LVI), and thermal desorption, significantly reducing the need for complex sample preparation. The system is also equipped with next-generation detectors such as FID and TCD, offering high sensitivity, stability, and linearity, with additional detector options (ECD, FPD, FTD, BID) enabling broad application coverage.The instrument is designed to maximize laboratory efficiency and minimize downtime. Features such as tool-free column installation (ClickTek), automated startup/shutdown, Easy sTop maintenance mode, and Clean Pilot for automated column conditioning simplify routine operation and reduce manual intervention. In addition, Eco Idling technology automatically optimizes gas and power consumption during standby, significantly lowering operational costs while maintaining readiness for analysis.From an analytical performance perspective, the Nexis GC-2060 delivers excellent reproducibility and sensitivity, supported by advanced autosamplers (e.g., AOC-30) and compatibility with third-party systems. The platform supports hydrogen carrier gas for faster analysis and includes smart gas management features such as automatic gas switching. Its modular design allows seamless integration with various sample preparation systems, autosamplers, and detectors, ensuring adaptability to evolving laboratory needs.Overall, the Nexis GC-2060 combines high performance, operational efficiency, and flexibility in a single platform, making it suitable for a wide range of applications, including pharmaceutical analysis, environmental testing, food analysis, and energy-related measurements. Its scalability and continuous software updates ensure long-term usability and alignment with future analytical requirements.<h3>4. Thermo Fisher Scientific: Accurate multi-component blast furnace gas analysis maximizes iron production and minimizes coke consumption</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/epm_AN_Iron_Production_Prima_PRO_bd5de98b44.pdf">Full PDF for download</a></li></ul>Over a billion tonnes of iron a year are produced in blast furnaces, representing around 94% of global iron production¹. The blast furnace consists of a large steel stack, lined with refractory brick. Iron ore, coke and limestone are dropped into the top of the furnace and preheated air blown into the bottom through nozzles called ‘Tuyeres’. Iron oxides are reduced in the melting zone, or ‘Bosh’, forming liquid iron (called ‘hot metal’) and liquid slag. These liquid products are drained from the furnace at regular intervals, and the blast furnace will run continuously for several years, until the refractory lining needs replacing.Analysis of carbon monoxide (CO) and carbon dioxide (CO₂) give vital information on the efficiency of the reduction processes. Historically, two non-dispersive infrared (NDIR) analyzers were used, one to measure CO, the other CO₂. Additional discrete analyzers were required to monitor oxygen and hydrogen – typically paramagnetic O₂ analyzers and thermal conductivity analyzers for H₂.&nbsp;Thermo Scientific™ process mass spectrometers have been widely used for many years for key gas analysis applications in iron and steel plants, including blast furnace, basic oxygen steelmaking, coke oven gas analysis, secondary steel process control, fuel gas analysis and direct reduction iron processes²<h4>Process control requirements&nbsp;</h4>The advantages of process MS over conventional analysis techniques have been proven over many years in the iron and steel industry. The ability to measure a wide range of components on a single analyzer, coupled with advanced calibration, data transmission, and self-diagnostic software, makes the modern mass spectrometer ideal for integration into the modern plant. On blast furnaces, superior gas analysis is being used to calculate gas efficiency, mass and heat balances, and heat profiles through probe analysis, as well as being an essential tool in the early detection of cooling water leaks and sample system failures.&nbsp;Figure 2 shows 64 hours of data from a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2305">Thermo Scientific™ Prima™ PRO Process MS</a> monitoring the six gases in a blast furnace top gas every 10 seconds. The pulse every 12 hours is generated by an automatic nitrogen blowback from the sample conditioning system, to keep the sample probe clear of particulates.<h4>Hydrogen analysis&nbsp;</h4>An increase in the hydrogen level in the furnace can indicate a leak from the furnace cooling system, as water dissociates into hydrogen and oxygen in the furnace. This has implications both for plant efficiency and plant safety. Water leaks will lower the furnace temperature, causing heat loss and a consequent increase in fuel consumption. In extreme cases, damage to plant and personnel can be caused by ignition of these hazardous mixtures of explosive gases.&nbsp;Figure 4 shows a plot of top gas hydrogen concentration measured by Thermo Scientific process MS over a 24-hour period, with the departure of the measured H2 value from that predicted by the mass balance model indicating a water leak. This leak was caused by the failure of a cooling member, and the furnace was taken off blast for repair. The mass spectrometer’s ability to provide fast, accurate hydrogen analysis removes the need for an additional discrete analyzer.&nbsp;Gas composition measurement is particularly important during the end-of-campaign blowdown that takes place prior to rebuilds and relines, because explosive gas mixtures can be generated.&nbsp;<h4>Probe analysis&nbsp;</h4>The fast analysis provided by MS offers another significant advantage over discrete analyzers—a number of process streams can be analyzed using a single instrument. This is achieved using a fully automated multi-inlet system, designed to switch between sample streams at high speeds with minimal sample flushing times. For example, as well as furnace top gas, the MS can also analyze gases from probes placed above and below the burden (the furnace charge of iron ore, coke and limestone). These are known as above-burden and sub-burden probes and provide valuable information on fuel efficiency, iron conversion and furnace charging. Figure 5 shows a schematic of these two probes; they can be moved across the furnace to build a cross-sectional profile of the furnace.<h4>Summary&nbsp;</h4>Thermo Scientific process mass spectrometers have been successfully monitoring blast furnace off gas at many of the world’s iron and steel companies for over 30 years. For a blast furnace producing 5,000 tonnes a day, a reduction in coke consumption of just 10 kg per tonne of iron produced provides a payback of over $10,000 a day. Users report that the combination of fast, accurate MS gas analysis for gas efficiency, heat and mass balances and hydrogen analysis, with advanced process control and mathematical modeling, has reduced coke consumption by up to 100 kg per tonne and increased iron production. Upgrading to Prima PRO MS can therefore result in complete installation payback within a few weeks.&nbsp;<ul><li>Reduces coke consumption&nbsp;</li><li>Produces consistent quality iron&nbsp;</li><li>Reduces downstream processing costs&nbsp;</li><li>Detects water leaks fast&nbsp;</li><li>Improves thermal control of furnace&nbsp;</li><li>Enables safer operation during blowdown</li></ul>

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