Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 11th August 2025? 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 poster by Agilent Technologies / ASMS, application note by Shimadzu and technical note by Thermo Fisher Scientific!<h3>1. Agilent Technologies / ASMS: Fully Automated Workflow for Volatile PFAS Analysis in Food Contact Materials Using GC-Triple Quadrupole</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_7010d_pal_autusampler_pfas_asms_2025_tp_456_en_agilent_50ffdde82b.pdf">Full PDF for download</a></li></ul>The analysis of per- and polyfluoroalkyl substances (PFAS) in food contact materials (FCMs) is crucial due to potential health and environmental concerns. Increased PFAS testing is needed to meet public demands and new regulations. Gas Chromatography coupled with Triple Quadrupole Mass Spectrometry (GC/TQ) offers a robust and sensitive method for detecting volatile PFAS. However, manual sample preparation could pose a bottleneck, impacting lab productivity. This study presents a robust and fully automated method using the PAL3 platform with GC/TQ for quantifying more than 30 volatile PFAS in FCMs, such as paper coffee cups. The automation approach minimizes human error, improving reliability and reproducibility for routine analysis and safety assessments of PFAS in FCMs.<h4>Experimental</h4><h5>Automated Sample Preparation&nbsp;</h5>The integrated 120 cm <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=PAL3">PAL3 Series 2 RTC autosampler</a>, paired with the Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7010D+GC%2FMS">7010D GC/TQ</a>, facilitated a fully automated PFAS quantitation workflow using a paper cup matrix. It served as an automated liquid handling platform for preparing calibration standards, extracting samples, and injecting them into the GC/TQ system, equipped with essential tools and modules.<h5>GCMS Instrumentation&nbsp;</h5>The 7010D GC/TQ with HES 2.0 ion source was coupled to an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC">8890 GC</a> system equipped with an MMI inlet and splitless liner (p/n 5190-2293). SWARM autotune optimized the instrument settings. The Agilent 8890 GC, operated in pulsed splitless mode with a splitless inlet liner, was used for analysis. The PAL3-GC/TQ system, managed by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=MassHunter+Acquisition+software">MassHunter Acquisition 13.0 software</a>, provided an integrated single-software experience. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=MassHunter+Optimizer">MassHunter Optimizer</a> was used to obtain MRM transitions for 34 targets, along with collision energies1 . Instrument operating conditions and parameters are given in the table below<h4>Conclusions</h4><ul><li>This study demonstrated a robust, fully automated method for analyzing volatile PFAS in FCMs using the PAL3 Series 2 RTC autosampler and Agilent 7010D GC/TQ system.&nbsp;</li><li>Method detection limits (MDL), linearity, retention time (RT) precision, area precision, and QC recovery was performed to assess the workflow performance.&nbsp;</li><li>The MassHunter Optimizer simplified method development, while the HES 2.0 ion source provided exceptional sensitivity, achieving sub-ppb MDLs.&nbsp;</li><li>For all FTOHs, an LOQ of 20 μg/kg with recoveries of 65% to 135% and %RSD &lt; 10% were achieved, highlighting the high extraction efficiency, accuracy and reliability of the automated workflow.&nbsp;</li><li>Automation reduces human errors, decreases chemical usage, and enhances productivity, offering reliable trace-level volatile PFAS monitoring in FCMs for regulatory guidance.</li></ul><h3>2. Shimadzu: Analysis of Benzene and Toluene by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050">Brevis GC-2050</a> Using ASTM D3606&nbsp;</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00902_en_41581fffcc.pdf">Full PDF for download</a></li></ul><h4>User Benefits</h4><ul><li>Quantitation of benzene and toluene in fuels based on ASTM D3606 is possible.&nbsp;</li><li>Highly accurate backflush analysis is possible by using the SMI flow device.&nbsp;</li><li>The compact design of the Brevis GC-2050 enables space-saving in the laboratory.</li></ul>Benzene and toluene are widely used as feedstocks for chemical products, but due to concerns about their effects on human health, the permissible concentrations of these two compounds are specified in various regulations. ASTM D3606 1) provides two quantification methods (Procedures A and B) for benzene and toluene in automotive fuels. The corresponding concentrations of benzene and toluene are 0.12-5.2 Vol% and 0.4-19.7 Vol% when using Procedure A and 0.10-5.0 Vol% and 2.0-20.0 Vol% when using Procedure B. In this Application News article, benzene and toluene were quantified by Procedure A in ASTM D3606. Satisfactory linearity of the calibration curves and reproducibility of the quantitation values could be obtained for both compounds.<h4>System Configuration and Analysis Conditions</h4>Table 1 shows the system configuration and analysis conditions. The compact <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050">Brevis GC-2050,</a> with a width of about 35 cm, can contribute to space-saving in the laboratory while also demonstrating high analytical performance. In procedure A, benzene and toluene are measured with a backflush system using a capillary column. Backflush has the advantage of shortening the analysis time. Fig. 1 shows a schematic diagram of the backflush system. In addition to the FID detector (FID1) connected to the Wax analytical column, a second FID detector (FID2) which is connected to the restrictor tube, is used for monitoring to determine the timing of backflushing. The gas that flows through the columns is supplied from the injection port (SPL) and digital flow controller (AUX-APC). This is connected to discs called an SMI Flow Disc and 2-DET Splitter, which are used to split the flow to the two detectors. The SMI Flow Disc is a flow device for capillary analysis, and has the features of minimal leakage, a low dead volume, a low heat capacity, and inertness. For this reason, the device has the advantages that the temperature inside the device easily follows the temperature of the column oven, and it is also possible to analyze components with high adsorptivity. Before backflushing, the SPL pressure is set high, and during the backflush operation, the gas in the pre-column is made to flow in the reverse direction (backflushed) by changing the pressures of the SPL and AUX-APC. In this experiment, the initial backflush time was set to 3.1 min to match the elution time of toluene (Fig. 2).<h4>Conclusion</h4>Using the Brevis GC-2050, an analysis of benzene and toluene as specified in ASTM D3606 was conducted. The analysis time could be shortened by using a backflush system. As the quantitation values of benzene and toluene were within the standard range for both reproducibility and repeatability, satisfactory results were obtained.<h3>3. Thermo Fisher Scientific: How NeverVent technology enables consistent uptime for continued lab operation&nbsp;</h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sl_003311_gc_vacuum_probe_interlock_nevervent_food_beverage_sl003311_na_en_529ea8c8af.pdf">Full PDF for download</a></li></ul><h4>Benefit summary&nbsp;</h4><ul><li>Eliminates unnecessary downtime&nbsp;</li><li>Maintains productivity&nbsp;</li><li>Simplifies maintenance&nbsp;</li><li>Enables disruption-free ionization type change&nbsp;</li><li>Increases ROI</li></ul><h4>What is NeverVent technology and how does it work?&nbsp;</h4>Thermo Scientific™ NeverVent ™ technology is unique to <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products?category=5&amp;manufacturerItems=3">Thermo Fisher Scientific’s GC-MS products</a>. It allows for routine maintenance, exchange of ionization mode, and direct probe work to be performed without the need to break the vacuum of the mass spectrometer:&nbsp;<ul><li>Removing/replacing the ionization source: Utilizing the vacuum probe interlock (VPI) in combination with an isolation valve, the ionization source can be removed the from the system without venting the MS. The source can either be cleaned or replaced with a spare clean source, and samples can be run without long stabilization times which would be required if the system was vented.&nbsp;</li><li>Changing ionization type: Using the VPI, the ionization source can be replaced with a different type of ionization source, for example, switching from Electron Ionization (EI) to Chemical ionization (CI) within a few minutes.&nbsp;</li><li>Using direct sampling probes: The VPI also allows the use of direct probes on some NeverVent GC-MS systems. This enables direct sampling into the MS system, bypassing the GC separation, and is useful in compound characterization and when analyzing very difficult to volatilize samples like oils or metal complexes.&nbsp;</li><li>Changing the GC column without venting: When performing common column maintenance like trimming, or replacing the column entirely, the V-Lock Source Plug allows the MS to be sealed off from inside the manifold. Columns can be exchanged or maintained without ever breaking vacuum.</li></ul><h4>What are the benefits to NeverVent technology?&nbsp;</h4>NeverVent technology allows a significant increase in instrument uptime. On a traditional GC-MS when performing maintenance, such as ionization source cleaning or column exchange, the MS must be vented. Venting the MS introduces air and moisture into the system. Once the maintenance is performed, the system is then pumped back down to vacuum and a stabilization period is required to ensure air and moisture are evacuated from the system. This process often takes overnight to complete and means samples cannot be run until the following day.&nbsp;Due to the unique design of a NeverVent GC-MS system, the vacuum is maintained which means samples can be run shortly after the maintenance is performed. This could be the difference betwen running a batch of samples overnight or waiting for a system to be ready to run. Utilizing NeverVent technology eliminates unnecessary instrument downtime due to venting the systems during maintenance, thus increasing productivity. Figure 2 highlights the time savings that can be achieved with NeverVent technology.&nbsp;For a typical GC-MS system where maintenance on the source is performed every three months, NeverVent technology can give you an extra four days of operation per year. When adding in column and ionization mode changings, the productivity gains are even more significant.

News from LabRulezGCMS Library - Week 33, 2025

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.

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News from LabRulezGCMS Library - Week 07, 2026

News from LabRulezGCMS Library - Week 33, 2025

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