<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 22nd September 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies, EST Analytical, Shimadzu </strong>and <strong>Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: A Chemometric Approach for Ambient Air Monitoring Using Thermal Desorption GC/MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_voc_8890_chemometric_ambient_air_monitoring_5994_8451en_agilent_fef7d171bb.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Monitoring VOCs is crucial for assessing air quality in industrial and urban settings. These compounds, which include propene, hexachlorobutadiene, and naphthalene, vary in volatility and encompass both polar and nonpolar chemicals. Recognizing the importance of standardized monitoring, the Bureau of Indian Standards (BIS) has developed specific methodologies for these compounds under the IS 5182 series.&nbsp;</p><p>IS 5182-27 focuses on the measurement of vapor-phase organic chemicals such as vinyl chloride and nC22 hydrocarbons in air and gaseous emissions. This method employs diffusive (passive) sampling onto sorbent tubes or cartridges, followed by TD (see Figure 1) and capillary GC analysis. The passive sampling approach offers advantages in terms of ease of deployment and cost-effectiveness, making it suitable for widespread monitoring applications.</p><p>To reveal relevant patterns and sources of variation in these large environmental datasets according to the IS-5182 guidance, this application note proposes chemometric analysis using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=6&amp;search=TD100-xr"><strong>Markes TD100-xr automated thermal desorber</strong></a> (Figure 2) and the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+gc"><strong>Agilent 8890 GC system</strong></a> with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977c"><strong>5977C GC/MSD</strong></a> (Figure 3). Chemometrics is a discipline that uses mathematics, statistics, and formal logic to design or select optimal experimental procedures. Chemometric techniques commonly used for clustering are the hierarchical agglomerative cluster analysis and PCA with factor analysis.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>This application note highlights the comparison of different air sampling strategies and shows their effect on qualitative and quantitative analysis of VOCs. Active (pumped) sampling helped with faster analysis, which is required for controlled and sensitive real-time monitoring of ambient air. Chromatograms of air sampled at various locations showed the presence of VOCs such as benzene, toluene, ethyl benzene, and xylenes. Many common and unique compounds were found at each location. The intensity of these compounds showed variations at different locations. Fewer compounds with lower intensities were observed in air samples from a residential area, whereas more compounds with higher intensities were observed in air samples from a traffic area.&nbsp;</p><p>Passive sampling was a comparatively cost‑effective and long-term approach and provided consistent replicate results. The chromatographic overlays of different sampling times indicated an increasing trend in peak intensities with respect to time. There was a considerable rise in peak intensities for the 1-week sampling period, as compared to 24-hour sampling. There was a slight rise in peak intensities for the 2-week sampling period, as compared to 1-week sampling. The PCA plot suggested the peak distribution obtained in each dataset. One-week sampling results showed consistent replicate results. Use of the chemometrics software Agilent Mass Profiler Professional added value by providing data visualization for interpretation.</p><h3><strong>2. EST Analytical: USEPA 524.2 Method Validation Using the Evolution Purge and Trap Concentrator and the Centurion WS Autosampler</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Purge_and_Trap_524_2_Application_Note_2d327854f2.pdf"><strong>Full PDF for download</strong></a></li></ul><p>USEPA Method 524.2 calls for purge and trap sampling coupled with a Gas Chromatograph (GC) and Mass Spectrometer (MS) for separation and analysis. It has an extensive list of compounds and requires lower detection limits due to its use in drinking water testing. A 20% relative standard deviation for compound response factors is required across the calibration curve while the calibration check standard analytes have to be within 30% of the expected concentration.&nbsp;</p><p>Currently, this method calls for a 5mL or 25mL purge volume and a four minute desorb time. These method requirements can pose a challenge for the analyst due to the amount of moisture that is created. The negative effects of the increased water vapor include instability of the chromatography, band eluting and poor peak shape to name a few. A side effect of this instability is sample re-runs and lost laboratory productivity. In addition, a common practice for mitigating moisture is increasing the GC inlet split rate. This poses yet another difficulty as the increased split rate can result in reduced sensitivity. EST Analytical’s eight port valve in the Evolution purge and trap concentrator aids in limiting the water exposure because the water management of the system is not part of the desorb pathway. This feature also enables laboratories to use a smaller split ratio at the GC inlet thus increasing sensitivity.</p><h4><strong>Experimental</strong></h4><p>The sampling system used for this study was the<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2160"><strong> EST Analytical Evolution purge and trap concentrator </strong></a>and the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2159"><strong>Centurion WS autosampler</strong></a>. The concentrator was affixed with a Vocarb 3000 trap and connected to an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7890A"><strong>Agilent 7890A GC</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5975C"><strong>5975C inert XL MS</strong></a>. The GC was configured with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=9&amp;search=Rxi-624+Sil+MS"><strong>Restek Rxi-624 Sil</strong></a> MS 30m x 0.25mm x 1.4µm column. Sampling parameters are listed in Table 1 while Table 2 enumerates the GC/MS parameters.</p><h4><strong>Conclusions</strong></h4><p>This study demonstrated the effectiveness of the Evolution/Centurion purge and trap sampling system. The results passed all of the USEPA Method 524.2 criteria for both linearity and detection limits. Since the Evolution bypasses the water management trap during the four minute desorb process, the amount of water effecting the experiments was limited. Furthermore, the forty to one split ratio at the GC inlet provided excellent detection limits as the system was more sensitive to the low level standard requirements of the method. The lower split rate has an added benefit of reducing laboratory helium consumption when setting it against other system’s higher split ratios. Finally, the precision and percent recovery results showed the reliability of the system in producing accurate experimental findings.</p><h3><strong>3. Shimadzu: Dual-Column Analysis of Blood AlcoholContent (BAC) Using Nitrogen Carrier Gas with </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050"><strong>Brevis GC-2050</strong></a></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00899_en_af0d9bafe7.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Analysis of blood alcohol content (BAC) and other volatile organic compounds (VOCs) is essential for law enforcement agencies to determine alcohol intoxication and its role in traffic accidents, assaults, and injuries, as well as to identify the causes of certain criminal behaviors, poisonings, and so on.&nbsp;</p><p>Typically, this analysis is performed by a gas chromatograph (GC) that is combined with a headspace sampler (HS) and a flame ionization detector (FID). Since accurate results are essential with BAC analysis, 2 columns can be used with different separation characteristics so that cross-checking can be performed. By using an integrated HS-GC system equipped with 2 FIDs connecting to a dual-column configuration, crosschecking can be performed in a single analysis. In this system, the columns are directly connected to the transfer line using a 2-hole ferrule, which minimizes sample losses due to adsorption.&nbsp;</p><p>In addition to the high-end <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2030"><strong>Nexis GC-2030</strong></a>, Shimadzu also offers the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050"><strong>Brevis GC-2050</strong></a> as a compact gas chromatography solution, and in this Application News, it is used with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=HS-20+NX+headspace+sampler"><strong>HS-20 NX headspace sampler </strong></a>(Fig. 1) to perform BAC analysis. Hydrogen was used as the carrier gas in a similar experiment in Application News 01-00570, but in this experiment, nitrogen was used because it is a cheaper alternative carrier gas. Nitrogen generally has an adverse effect on separation, so this experiment also investigated the conditions for separation for 10 types of blood VOCs.</p><h4><strong>Separation of 10 Blood VOCs&nbsp;</strong></h4><p>A solution of 10 VOCs spiked with blood (0.1 mg/mL) was analyzed to determine the separation of methanol, acetaldehyde, ethanol, isopropyl alcohol, acetonitrile, acetone, tert-butanol, 1-propanol, methyl ethyl ketone, and ethyl acetate. The resulting chromatogram is shown in Fig. 6. All peaks were detected within 6.0 minutes in the BAC PLUS1 column and within 3.5 minutes in the BAC PLUS2 column, indicating good separation. The elution sequence of the 10 blood VOCs differed significantly between the columns, which enhanced the system’s qualitative capability. Table 4 shows the retention time of each compound and the repeatability (n=5) of the peak area ratio for the tert-butanol internal standard.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>This experiment involved dual-column analysis of blood alcohol content (BAC) by the compact Brevis GC-2050 and the HS-20 NX. Dual-column configuration enables cross-checking in a single analysis. In addition, nitrogen was used as the carrier gas instead of helium. While hydrogen enables high-speed analysis, it also requires careful handling, so from the perspective of safety, installation of various optional tools such as hydrogen sensor and stop valve have been recommended. Nitrogen gas is relatively inexpensive and easy to handle, and this experiment demonstrated that it also provides reliable results while maintaining good separation.</p><h3><strong>4. Thermo Fisher Scientific: Routine analysis of 7N high purity gallium phosphide by Glow Discharge Mass Spectrometry</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003578_ioms_gd_ms_element_gd_plus_gallium_an003578_em_en_1666255eb4.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Gallium phosphide (GaP) is a semiconductor material used in electronic and optoelectronic devices, including light-emitting Diodes (LEDs), solar cells as well as high-frequency and high-power electronics<sup>1-5</sup>. GaP wafers offer several advances over traditional silicon wafers, including high efficiency, high-speed operation, and highpower handling capabilities<sup>4-5</sup>.&nbsp;</p><p>This application note describes the direct analysis of impurities in high purity gallium phosphide with sub-ppb detection limits using the Thermo Scientific <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/products/1690"><strong>Element GD PLUS GD Mass Spectrometer</strong></a>.&nbsp;</p><h4><strong>Experiment&nbsp;</strong></h4><p>The flat samples are analyzed directly, with no digestion required. Instrumental conditions for the analysis with the Element GD PLUS GD-MS are shown in Table 1. Potential sample surface contaminations were removed by short presputtering within the instrument.&nbsp;</p><h4><strong>Method development&nbsp;</strong></h4><p>The developed method ensures a reliable separation of interferences from the analyte ions. The interferences PO, POH and GaGa could potentially lead to falsely high Ti, Ba and Ce results. The formation of these interferences is low in the fast-flow source of the Element GD PLUS GD-MS: 69Ga69Ga/69Ga ≈ 1 ppm and ( 31P16O1 H + 31P17O)/31P ≈ 10 ppm. They can easily be resolved at Medium Mass Resolution (R = M / Δm = 4000). This is visualized in the mass scans shown in Figures 1 and 2 with much wider mass windows than later being used for quantification. Therefore, the Medium Mass Resolution of the Element GD PLUS GD-MS enables interference free measurements of Ti, Ba and Ce in GaP matrix.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>Trace contaminations in 7N high purity gallium phosphide can be determined reliably and routinely with the Element GD PLUS GD-MS without prior digestion.&nbsp;</p><p>While most analytes like Ti, Ba and La are resolved from interferences in medium mass resolution (R = 4000), high mass resolution (R = 10000) is required for Ag because of the GaAr interference. Sub-ppb detection limits, even for elements like Sb and Ge, are achieved by neglectable formation of triatomic interferences and reduced abundance sensitivity. That is enabled by the fast-flow source design and the reverse Nier-Johnson geometry.</p><p>Semiquantitative quantification of element concentrations can be performed without standard reference materials using the standard RSF factor approach. The high sensitivity of the instrument, the reliable separation of interferences in medium and high mass resolution, the outstanding peak stability, the low formation of interferences and the low abundance sensitivity enable limits of detection of 0.05 to 1 ppb for most elements.&nbsp;</p><p>The sum of all impurities in the GaP sample was below 50 ppb, implying that a purity of 7N GaP can be assessed with the instrument.</p>

News from LabRulezGCMS Library - Week 39, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 12th January 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies, Shimadzu </strong>and brochure by<strong> Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: Volatile PFAS in Cosmetics Using PAL3 Coupled with Triple Quadrupole GC/MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_pfas_cosmetics_pal3_gc_tq_5994_8752en_agilent_52b56afd36.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Per- and polyfluoroalkyl substances (PFAS) are a large family of synthetic organic chemicals containing carbon chains where most or all the hydrogen atoms are replaced by fluorine. Due to the strength and stability of the carbon‑fluorine bond, PFAS tend to be very stable and chemically inert, which makes them both very useful in various applications and resistant to degradation. This persistence causes environmental contamination and bioaccumulation in humans and wildlife; as a result, PFAS are often labeled "forever chemicals".<sup>1</sup>&nbsp;</p><p>In cosmetics, PFAS are valued for their functional properties, including emulsification, stabilization, and water or sweat resistance. Despite these benefits, concerns have grown over their safety due to direct exposure from repeated use through skin, eyes, and mouth. The OECD's 2024 report underscores the risks associated with PFAS in cosmetic formulations, particularly given their potential for long-term health and environmental impacts.<sup>2,3</sup> Regulators around the world are taking decisive steps to ban or restrict PFAS in cosmetics. For example, in the EU, various types of PFAS have been regulated under REACH and POPs regulations that span most industries, including cosmetics.<sup>4,5</sup> EU Cosmetics Regulation (EC) No. 1223/2009 has listed the five types of PFAS as the substances prohibited.<sup>6</sup> A broader EU-wide ban is underway, with France having passed its own ban on PFAS in cosmetics effective 1 January 2026, as part of a larger proposal to ban PFAS in consumer products.<sup>7,8</sup> The US has not banned the use of PFAS in cosmetics at the federal level yet. The USFDA has been evaluating the use of PFAS in cosmetics under the authority of the Cosmetic Regulatory Modernization Act (MoCRA), and is expected to release a report on safety and risk by the end of 2025.<sup>9</sup> Although the federal government is still on the sidelines, many states in the US have been rapidly enacting or implementing the ban and reporting requirements for PFAS in cosmetics, with effective dates ranging from 2025 to 2032.<sup>10-13</sup> Canada has proposed a ban on the use of PFAS in various consumer products, including cosmetics.<sup>14</sup> South Korea has added 12 PFAS into a restricted substances list for cosmetic products in 2024.<sup>15</sup> The Environmental Protection Authority (EPA) of New Zealand has officially announced a ban on the use of PFAS in cosmetic products, effective from 31 December 2026.<sup>16&nbsp;</sup></p><p>As regulations surrounding PFAS continue to evolve, developing a sensitive and robust analytical method is crucial to meet stringent guidelines. The objective of this study was to demonstrate a fully automated workflow using PAL3&nbsp;Series&nbsp;2 RTC autosampler coupled with an Agilent 7010D triple quadrupole GC/MS to quantify more than 30&nbsp;volatile PFAS analytes in cosmetics. The automation method performance includes sensitivity, accuracy, and precision studies.</p><h4><strong>Experimental</strong></h4><h5><strong>Instrumentation&nbsp;</strong></h5><p>An <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC"><strong>Agilent 8890 GC </strong></a>with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7010D"><strong>7010D GC/TQ</strong></a> equipped with HES 2.0 ion source, coupled with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=PAL3"><strong>PAL3</strong></a> Series 2 RTC autosampler, was used for this analysis. An MMI inlet and splitless liner (part number 5190-2293) were used and chromatographic separation was performed using an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=J%26W+DB-624"><strong>Agilent J&amp;W DB-624</strong></a>, 30 m × 0.25 mm, 1.40 μm column (part number 122-1334UI). The instrument setup is shown in Figure 1. The acquisition method for 34 native PFAS and four ISTDs, including GC condition, TQ parameters were described in a previous application note.17</p><h4><strong>Sample analysis&nbsp;</strong></h4><p>Seven cosmetic samples from various brands—including foundations, lipsticks, and mascaras—were analyzed. One liquid foundation was designated as a quality control (QC) sample, while the remaining six were treated as unknowns. According to the OECD report published in 2024, cosmetic products such as shampoo, eye makeup, foundation, facial cleansers, lipsticks, and lip glosses may contain PFAS, which serve functional or performance-enhancing roles.2,19 In this study, several PFAS compounds were detected above the method detection limit (MDL) in the unknown samples, including 10:2 FTOH, MeFHxSA, MeFOSE, EtOSE and 1H,1H‑perfluorooctyl acrylate. The results also demonstrated that the automated workflow is effective for PFAS extraction and quantitation in cosmetic matrices.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>An accurate and robust automated workflow was successfully developed using the PAL3 Series 2 RTC autosampler coupled with the Agilent 7010D GC/TQ system for the analysis of volatile PFAS in cosmetic products. Most PFAS targets achieved an LOQ of 50 µg/kg and MDL below 1.5 µg/kg, with recoveries falling within the acceptable range of 60% to 110%. These results demonstrate excellent extraction efficiency and reliability of the automated workflow. Furthermore, automation significantly reduces human error and enhances productivity, while maintaining high sensitivity in PFAS analysis.</p><h3><strong>2. Shimadzu: Simplifying Multicomponent Quantitative Analysis of Organic Compounds with the Polyarc Microreactor for GC</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00945_en_9f7adeedc4.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>User Benefits&nbsp;</strong></h4><ul><li>The Polyarc system converts organic compounds eluting from the column into methane, enabling sensitivity to be normalized to carbon concentrations.&nbsp;</li><li>Even for compounds containing heteroatoms or unsaturated bonds, which tend to show lower sensitivity with FID, the Polyarc reduces response differences.&nbsp;</li><li>Because the response is normalized, fewer calibration curves are required even for multicomponent sample analysis.</li></ul><p>The Flame Ionization Detector (FID), the most widely used detector for GC, is used for quantitative analysis across a wide range of fields because it can detect almost all organic compounds. However, FID can exhibit sensitivity differences depending on the compound type, such as compounds containing heteroatoms (e.g., oxygen or nitrogen) or those with unsaturated bonds (for details, refer to Application News No.01-01033-EN). As a result, conventional quantitative methods using calibration curves— including external standard methods— typically require a separate calibration curve for each target analyte. This application introduces a case study analyzing a mixed solution of eleven compounds with different functional groups using the Polyarc, a GC microreactor. While compounds exhibit varying sensitivity with FID detection, the Polyarc system reduces sensitivity differences between compounds and facilitates quantitative analysis through simplified calibration curve creation.</p><h4><strong>Overview of the Polyarc</strong></h4><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?search=Polyarc"><strong>Polyarc</strong></a> is a post-column microreactor installed between the column and the FID. The main unit is mounted on the GC’s top panel. A schematic isshown in Fig. 1. Organic compounds introduced into the Polyarc via the column are fully converted to methane in two steps—oxidation followed by reduction (Fig. 2)—and are ultimately detected by FID. Because the FID detects methane, sensitivity is determined by the number of carbons, regardless of the original organic compound’s functional groups. For example, 1 mol of 1- propanol (C<sub>3</sub>H<sub>8</sub>O) is detected as 3 mol of methane.</p><h4><strong>Analytical Conditions&nbsp;</strong></h4><p>In this application, the sample was prepared by dissolving nheptane, cyclohexane, toluene, o-xylene, methyl ethyl ketone (MEK), tetrahydrofuran (THF), N,N-dimethylformamide (DMF), butyl acetate, propylene glycol monomethyl ether acetate (PMA), pyridine, and 1,2-dichloroethane in methanol so that each compound was 500 ppm (v/v%). Analytical conditions are shown in Table 1. The instrument used was a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2030"><strong>Nexis GC-2030</strong></a> equipped with the Polyarc Ultra was used.(Fig. 3) Polyarc can be installed on both the Nexis GC-2030 and the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050"><strong>Brevis GC-2050</strong></a>. Additionally, in this application, N2 was used as the carrier gas for affordability and safety, enabling cost-effective analysis.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>Analyzing multicomponent samples with a Polyarc confirmed that sensitivity differences due to functional groups can be reduced. Compounds containing heteroatoms or unsaturated bonds can be analyzed with relative response comparable to hydrocarbons when a Polyarc is used. Peak area reproducibility was excellent, with %RSD &lt; 1. Additionally, it was confirmed that analyzing at least one compound of known concentration enables quantitation of compounds with unknown concentration—i.e., calibration curve preparation can be omitted.</p><p>Table 5 summarizes the benefits of using a Polyarc system. The Polyarc simplifies multicomponent quantitative analysis and enables high-sensitivity analysis of compounds that are poorly detected by FID. Note that for certain compounds, adsorption in the inlet or similar effects may prevent achieving a relative response equivalent to that of saturated hydrocarbons.</p><h3><strong>3. Thermo Fisher Scientific: Targeted MS quantitation - Controlled and accessed from anywhere (Thermo Scientific™ Chromeleon™ 7.4 software)</strong></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/BR_70660_CDS_Chromeleon_BR_70660_EN_a0bf1ab440.pdf"><strong>Full PDF for download</strong></a></li></ul><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76"><strong>Thermo Scientific™ Chromeleon™ 7.4 software</strong></a> is presented as a centralized, server-based data system designed to consolidate mass spectrometry laboratories by connecting instruments, users, and data within a single, scalable platform. It enables secure access to data and instruments from anywhere, while centrally managing methods, templates, and reports to streamline daily laboratory operations.</p><p>The software is fully optimized for targeted MS quantitation workflows, offering native control of Thermo Scientific single and triple quadrupole as well as high-resolution accurate mass (HRAM) MS instruments. Advanced data processing tools support targeted quantitation, screening, intact mass deconvolution, MSⁿ library searching, and customizable reporting, making Chromeleon suitable for biopharma, environmental, and food safety applications.</p><p>A strong emphasis is placed on compliance and data integrity. Chromeleon 7.4 supports GxP, ISO, and 21 CFR Part 11 requirements through granular user controls, audit trails, electronic signatures, and versioned results. Built-in network failure protection, centralized databases, and secure remote access ensure high availability, resilience, and scalability from small on-premise installations to multi-site or cloud deployments.</p><p>The brochure also highlights Chromeleon’s role in advanced bioanalysis and environmental workflows, including intact protein characterization, multi-attribute methods (HR-MAM), PFAS analysis, pesticides, dioxins, and PCBs. Integration with complementary Thermo Scientific software further enables end-to-end workflows from compliant data acquisition to targeted processing, reporting, and long-term data management.</p>

News from LabRulezGCMS Library - Week 03, 2026

News from LabRulezGCMS Library - Week 09, 2026

<p><strong>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!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies, Thermo Fisher Scientific, </strong>brochure by<strong> Shimadzu </strong>and presentation by<strong> MDCW / LECO!</strong></p><h3><strong>1. Agilent Technologies: Extraction and Analysis of Pesticides from Water by Solid Phase Extraction and GC/MS</strong></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"><strong>Full PDF for download</strong></a></li></ul><p>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)<sup>1</sup> , packaged drinking water (IS 14543)<sup>2</sup> , and natural mineral water (IS 13428).<sup>3</sup> 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;</p><p>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.<sup>4</sup> 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;</p><p>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;</p><p>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.</p><h4><strong>Experimental</strong></h4><h5><strong>Instrument parameters</strong></h5><ul><li><strong>GC:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890"><strong>Agilent 8890</strong></a></li><li><strong>Column:</strong> Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=J%26W+HP-5ms"><strong>J&amp;W HP-5ms</strong></a> UI 30 m × 0.25 mm, 0.25 μm&nbsp;</li><li><strong>Carrier Gas:</strong> Helium, constant flow, 1.2 mL/min&nbsp;</li><li><strong>Inlet:</strong> Agilent Multimode Inlet (MMI)</li><li><strong>MS:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5977"><strong>5977 GC/MS</strong></a></li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>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.</p><h3><strong>2. MDCW / LECO: Exploring PFAS in Consumer Goods Using GCxGC and High-Resolution Mass Spectrometry</strong></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"><strong>Full PDF for download</strong></a></li></ul><p>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.</p><p>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"><strong>LECO Pegasus® BTX</strong> </a>and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/38"><strong>Pegasus® HRT+</strong></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.</p><p>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.</p><p>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.</p><p>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.</p><h3><strong>3. Shimadzu: Gas Chromatograph Nexis GC-2060</strong></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"><strong>Full PDF for download</strong></a></li></ul><p>The Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexis+GC-2060"><strong>Nexis GC-2060</strong></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 <i>Analytical Intelligence</i>, 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.</p><p>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.</p><p>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.</p><p>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.</p><p>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.</p><h3><strong>4. Thermo Fisher Scientific: Accurate multi-component blast furnace gas analysis maximizes iron production and minimizes coke consumption</strong></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"><strong>Full PDF for download</strong></a></li></ul><p>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.</p><p>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;</p><p>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</p><h4><strong>Process control requirements&nbsp;</strong></h4><p>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;</p><p>Figure 2 shows 64 hours of data from a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2305"><strong>Thermo Scientific™ Prima™ PRO Process MS</strong></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.</p><h4><strong>Hydrogen analysis&nbsp;</strong></h4><p>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;</p><p>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;</p><p>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;</p><h4><strong>Probe analysis&nbsp;</strong></h4><p>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.</p><h4><strong>Summary&nbsp;</strong></h4><p>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;</p><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>

News from LabRulezGCMS Library - Week 14, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 13th April 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies, BaySpec, </strong>and<strong> Shimadzu</strong> and<strong> </strong>presentation by <strong>MDCW / SepSolve!</strong></p><h3><strong>1. Agilent Technologies: Sensitive and Reproducible Determination of Nitrosamines by GC/MSD</strong></h3><p><strong>Analysis of seven nitrosamines using the </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977+GC%2FMSD"><strong>Agilent 5977 GC/MSD</strong></a><strong> in positive chemical ionization mode with ammonia</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_nitrosamines_5977_gc_ms_5994_9063en_agilent_acf455cd8e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Nitrosamines are a well known class of carcinogenic compounds that have been the subject of extensive scientific investigation and regulatory assessment for several decades.<sup>1</sup> In recent years, various regulatory authorities have established drinking water guidelines for N-nitrosodimethylamine (NDMA), a disinfection byproduct of water treatment processes.&nbsp;</p><p>In 2004, the US Environmental Protection Agency (EPA) published Method 521, a GC/MS-based method for the analysis of seven nitrosamines including NDMA in drinking water, supporting monitoring and regulatory programs.<sup>2</sup> In 2010, Health Canada proposed a maximum acceptable concentration for NDMA in drinking water of 40&nbsp;ng/L.<sup>3</sup> In the European Union (EU), several EU member states have introduced their own national limits for nitrosamines in drinking water. In Germany, for example, a concentration of 10&nbsp;ng/L will trigger the initiation of remedial actions to reduce the concentration of NDMA.<sup>4</sup>&nbsp;</p><p>This application note demonstrates the ability of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977+GC%2FMSD"><strong>Agilent&nbsp;5977 Series GC/MSD</strong></a> to enable linear and reproducible detection of the seven nitrosamines included in EPA Method&nbsp;521 using positive chemical ionization (PCI) with&nbsp;ammonia.&nbsp;</p><p>Chemical ionization (CI) is a soft ionization technique used in mass spectrometry that enhances molecular ion visibility through controlled ion–molecule reactions. In CI, a reagent gas is ionized first, and the resulting reagent ions subsequently transfer charge to the analyte, producing significantly less fragmentation than conventional electron ionization (EI).&nbsp;</p><p>PCI further improves sensitivity by generating predominantly protonated molecular ions [M +H]+ , concentrating the ion signal into a high-abundance species and delivering a stronger response and improved signal-to-noise ratios for trace-level compounds. Ammonia is an especially effective reagent gas for PCI due to its clean and efficient proton‑transfer chemistry, low background spectral contribution, and ability to produce stable, high-intensity molecular ions.&nbsp;</p><p>These characteristics make ammonia PCI a highly suitable ionization mode for the sensitive and selective analysis of small polar contaminants such as nitrosamines, where low‑level detection and confident molecular ion identification are critical.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The study has shown that the Agilent 5977 GC/MSD, operated in PCI mode with ammonia, delivers the sensitivity, accuracy, and reproducibility needed for trace-level nitrosamine&nbsp;analysis. The method demonstrated excellent linearity, with regression coefficients (R²) of 0.9989 or better across the 0.1 to 20.0&nbsp;ppb range for six nitrosamines, and 0.9987 across the 0.5 to 20.0&nbsp;ppb range for NPYR. Analytical repeatability was robust, with %RSD values &lt; 4.8% at the lowest calibration level, indicating a stable and consistent instrument response. Instrument Detection Limits ranged from 0.0063 to 0.0655&nbsp;ppb, demonstrating the system's ability to reliably distinguish analyte signals from instrumental noise. Overall, these results confirm the suitability of the 5977 GC/MSD as a sensitive and dependable platform for nitrosamine analysis in applications that require stringent trace‑level detection</p><h3><strong>2. BaySpec: Peptide sequencing using </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2218"><strong>Continuity miniature mass spectrometer</strong></a></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_Peptide_Sequencing_002_af7ca2496c.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Peptide identification and sequencing strategies by mass spectrometry have been very well-developed during the last 25 years after the soft ionization techniques have been introduced. When sequencing peptides with tandem mass spectrometry (MS<sup>n</sup>), peptides are cleaved at various locations off their backbones to generate fragment ions of different masses based on their amino acid sequences. The most common product ions are the b-, y-, and a-ions generated from the cleavage of amide bond (CO-NH) and the subsequent loss of CO from the b-ions to form a-ions. The resulting MS<sup>n</sup> spectra can be matched with a database or computed with an algorithm to get the original sequence of known or unknown peptides.&nbsp;</p><p>Here we present an example of peptide sequencing with BaySpec’s highly-portable (22 kg) and battery operated Continuity -series portable mass spectrometer. It features a linear ion trap with collisionally induced dissociation (CID) for MS<sup>n</sup> analysis, similar to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2219"><strong>Portability series mass spectrometers</strong></a>. In addition, Continuity is equipped with a continuous atmospheric pressure sampling inlet with differential pumping, allowing the detection of a larger mass range (110 – 950 amu). BaySpec’s Continuity mass spectrometer is ideal for on-site peptide sequencing. In this application note, we show an example of peptide sequencing in a standard mixture (H2016, SigmaAldrich) with Continuity mass spectrometer. The mixture was dissolved in HPLC grade water, and then further diluted with an electrospray solution (50:50 methanol:water with 0.5% acetic acid). The diluted solution is directly infused into the API inlet of the Continuity mass spectrometer without any further treatment or separation.</p><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2218"><strong>Continuity<sup>TM</sup> Mass Spectrometer&nbsp;</strong></a></h4><p>The Continuity mass spectrometer is one of BaySpec’s newest portable instruments. Continuity features a continuous sampling atmospheric pressure inlet, wide mass range and high sensitivity. Designed to bring the benefits of powerful mass to the field, the Continuity can service a variety of bulk or trace detection applications, as well as scientific studies.</p><h3><strong>3. MDCW / SepSolve: Sniff smarter: Empowering GC–O with trap-based enrichment and GC×GC for advanced aroma profiling</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_5_Mikaliunaite_29610bc29d.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The presentation focuses on improving the correlation between chemical analysis and human sensory perception in complex samples such as food matrices. Traditional gas chromatography–olfactometry (GC–O) workflows face two major limitations: the presence of trace-level odorants with extremely low odour detection thresholds and the frequent co-elution of compounds, which makes it difficult to assign specific sensory attributes to individual analytes. As highlighted in the early slides, these challenges often result in discrepancies between what instruments detect and what the human nose perceives .</p><p>To address these issues, the study introduces <strong>trap-based enrichment</strong> as a key enhancement step. This approach enables pre-concentration and focusing of volatile organic compounds (VOCs) prior to GC analysis, while selectively removing interferents such as water and air. The use of electrically cooled traps allows efficient analyte retention and rapid thermal desorption, improving sensitivity without the need for cryogens. Importantly, this enrichment strategy enhances the detectability of trace odorants, enabling better alignment between instrumental signals and sensory perception.</p><p>A second major advancement presented is the integration of <strong>comprehensive two-dimensional gas chromatography (GC×GC) coupled with TOF-MS and olfactory detection (GC×GC–O–TOF MS)</strong>. Compared to conventional one-dimensional GC, GC×GC significantly increases separation capacity, effectively resolving co-eluting compounds. This enables more confident identification of odor-active compounds and clearer mapping between chromatographic peaks and recorded aroma descriptors. The workflow also incorporates an odour detection port (ODP), allowing simultaneous acquisition of chromatographic and sensory data, thereby bridging the gap between analytical chemistry and human olfaction.</p><p>The methodology is demonstrated using real-world applications, including <strong>citrus rind and orange juice analysis</strong>, where complex aroma profiles are investigated. The results show that GC×GC combined with enrichment and advanced data processing (e.g., Smart Subtract®) enables detailed comparison of sample variants (e.g., juice with vs. without pulp) and identification of subtle compositional differences. Overall, the study highlights that combining trap-based enrichment, GC×GC separation, and integrated sensory detection provides a powerful platform for comprehensive aroma profiling, improving both sensitivity and interpretability in flavour and fragrance analysis</p><h3><strong>4. Shimadzu: Dual-line Gas Analysis Using a </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=gc-2060"><strong>Nexis GC-2060</strong></a><strong> Gas Chromatograph with a </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GI-30+Auto+Gas+Injector"><strong>GI-30 Auto Gas Injector</strong></a><strong> and BID and TCD Detectors</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01171_en_5a83027622.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>The Nexis GC-2060 can be equipped with two GI-30 units, enabling automated gas analysis for two sample lines on a single GC.&nbsp;</li><li>The combination of TCD and BID detectors enables analysis of a wide range of sample concentrations.&nbsp;</li><li>Using the GI-30 auto gas injector enables automated gas-sample introduction with high repeatability</li></ul><p>Gas analysis is performed across a wide range of fields, including resource and energy applications and environmental applications. Typical target analytes include inorganic gases such as H<sub>2</sub>, N<sub>2</sub>, CO, and CO<sub>2</sub>, as well as light hydrocarbon gases such as CH<sub>4</sub>. Because concentration ranges and matrices vary depending on the sample, detection sensitivity and separation performance must be optimized to meet the measurement objective.&nbsp;</p><p>Both BID and TCD detectors can detect all compounds except carrier gases (BID cannot detect Ne). The BID is a Shimadzudeveloped detector that enables highly sensitive analysis of lowlevel components at the ppm level and simultaneous analysis of multiple compounds, including H<sub>2</sub>. In contrast, the TCD provides stable analysis even at high concentrations on the order of percent, and it also has a short time from startup to analysis readiness. Using both detectors together allows a single GC system to cover a wide concentration range from low to high.&nbsp;</p><p>This article describes dual-line gas analysis using a Nexis GC-2060 equipped with both a BID and a TCD, combined with automated sample introduction using the GI-30 auto gas injector. By combining a BID and a TCD,samples across a broad concentration range can be measured. In addition, automated introduction of gas samples using the GI-30 improves repeatability in continuous analysis and enhances operational efficiency.</p><h4><strong>Dual-LineGas Analysis Using the GI-30</strong></h4><p>The GI-30 is an auto gas injector that enables automated, continuous analysis of gas samples (Fig. 1 (right) shows a schematic diagram of the GI-30). With its highly expandable design, the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=gc-2060"><strong>Nexis GC-2060 </strong></a>can be equipped with two <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GI-30+Auto+Gas+Injector"><strong>GI-30</strong></a> units (Fig. 1 (left)). This enables high-throughput automated gas analysis of two sample lines on a single GC. In addition, because the injection unit, column, detector, and carrier gas can be configured independently for each line, the system can accommodate gas samples with diverse compositions and concentrations. In this application, Line 1 was configured with an SPI/BID to provide highly sensitive detection of low-level components. The SPI is a split/splitless injection unit dedicated to gas analysis. Its high airtightness and inert deactivation of the flow path help suppress ambient air intrusion and analyte adsorption, making it effective for analyzing trace atmospheric components (e.g., N<sub>2</sub> and O<sub>2</sub>) and components that tend to adsorb. In contrast, Line 2 was configured with an SPL/TCD. Using an SPL injection unit also allows liquid sample analysis and manual injection with a gas-tight syringe.</p><h4><strong>Conclusion</strong></h4><p>Low- and high-concentration gas samples were analyzed simultaneously on two lines using a Nexis GC-2060 equipped with two GI-30 units and a BID/TCD. By adopting a dual-line configuration with dual GI-30 units and selecting the injection unit, column, detector, and carrier gas according to the measurement objective, it is possible to expand the range of sample concentrations and compositions that can be measured. In addition, automated, continuous gas analysis using the GI-30 reduces the analyst’s workload and enables highly repeatable analysis that is difficultto achieve with manual introduction.</p>

News from LabRulezGCMS Library - Week 16, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 20th April 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies </strong>and<strong> Shimadzu, </strong>brochure by <strong>BaySpec </strong>and<strong> </strong>presentation by <strong>MDCW / William &amp; Mary!</strong></p><h3><strong>1. Agilent Technologies: Analysis of Aromatic Amines in Textile Samples</strong></h3><p><strong>Using hydrogen carrier gas and an Agilent 8890 gas chromatography system coupled with an Agilent 5977C GC/MSD with an Agilent HydroInert source</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_amines_textile_gcms_5994_8997en_agilent_1a9ca88e41.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Azo dyes, characterized by the azo group (–N=N–), represent the largest class of synthetic organic colorants, accounting for approximately 70% of the global dye market with over 3,000 variants in use.<sup>1</sup> Their widespread application in textiles, leather, plastics, cosmetics, food, and pharmaceuticals is attributed to their low cost, colorfastness, and structural versatility. Global textile dye production exceeded 1 million tons in 2020.1 Despite their industrial significance, azo dyes pose serious environmental and health concerns.<sup>1,2 </sup>Up to 15% of these dyes are discharged into wastewater or solid waste streams, and as much as 40% may be lost during textile processing. Resistant to degradation, they persist in ecosystems and can release harmful aromatic amines under certain conditions.<sup>1</sup> Numerous GC/MS-based analytical methods are available for the estimation of amine compounds. These methods use helium as the carrier gas. For a sustainable analytical solution, there is a need for an alternative carrier gas to overcome the challenges occurring due to helium scarcity.&nbsp;</p><p>The method adopted for this application note demonstrates the use of hydrogen as a carrier gas in the Agilent 8890 gas chromatography system coupled with the Agilent 5977C GC/MSD using a HydroInert source for the quantification of aromatic amines residues in textile&nbsp;samples.&nbsp;</p><h4><strong>Experimental</strong></h4><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890 Gas Chromatography System</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977C"><strong>Agilent 5977C GC/MSD</strong></a></li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>This application note presents key strategies for the analysis of amines using GC/MS with hydrogen as the carrier gas, while maintaining sensitivity to meet the maximum residue limits (MRLs) as mentioned in part 1 of ISO:14362. The method includes an Agilent J&amp;W DB-35ms column (20 m × 0.18 mm, 0.18 µm) and a hydrogen‑compatible electron ionization source, the Agilent HydroInert source. The optimized setup with hydrogen showed good chromatographic resolution. The HydroInert source was shown to provide good sensitivity. The method presented here allowed for the quantitation of 24&nbsp;target amines analytes at concentrations ranging from 0.25 to 20 µg/mL in an aqueous standard. Good repeatability was found with %RSD values below 5 for 22 of the 24&nbsp;compounds. Real world textile samples were also analyzed using the same method and three target compounds—aniline, o-toluidine, and benzidine—were observed as present in those samples.</p><h3><strong>2. BaySpec: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2221"><strong>Ion-K9</strong></a><strong> The World’s First Portable, Non-Contact Trace Vapor Detector</strong></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/AFT_u_MS_flyer_final_e882bcb462.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2221"><strong>Ion-K9</strong></a> represents a breakthrough in trace detection technology as the world’s first portable, non-contact vapor detector. Designed for rapid and reliable field deployment, this system enables real-time identification of trace-level threats without the need for direct sample contact. By utilizing advanced vapor sampling and mass spectrometry, it provides a safe and efficient solution for detecting hazardous substances in security, forensic, and environmental applications .</p><p>At the core of the Ion-K9 is a miniature linear ion trap mass analyzer combined with a non-radioactive ionization source, allowing detection of a wide range of explosives and narcotics. The system achieves ultra-high sensitivity down to parts-per-trillion levels (pptv), ensuring reliable identification of compounds such as TNT, RDX, fentanyl, and methamphetamine. Its ability to operate in both positive and negative ion modes further enhances detection flexibility across diverse chemical classes .</p><p>The instrument is engineered for operational reliability in real-world environments, offering a low false alarm rate below 0.001% while maintaining detection rates above 99.999%. An integrated Intel® Core™ i7 system with a touchscreen interface provides intuitive operation and immediate visual feedback, enabling users to quickly assess whether a threat is present and access detailed analytical data when needed .</p><p>With its compact, portable design and capability for battery operation, the Ion-K9 is well suited for deployment in airports, border control, law enforcement, and emergency response scenarios. By combining high sensitivity, rapid analysis, and non-contact sampling, it delivers a powerful tool for modern security and analytical workflows, ensuring both efficiency and operator safety in demanding environments.</p><h3><strong>3. MDCW / William &amp; Mary: Developing a Combined Approach to Green Gunshot Residue Analysis in the Forensic Laboratory</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_24_Saunders_f2c5bcdb20.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The growing adoption of environmentally friendly (“green”) ammunition presents new analytical challenges for forensic laboratories, particularly in the detection of gunshot residue (GSR). Traditional approaches rely heavily on identifying inorganic particles containing heavy metals such as lead, barium, and antimony. However, green ammunition eliminates these markers, producing residues composed of more ubiquitous materials that are significantly harder to detect and interpret. This shift necessitates the development of new analytical strategies capable of identifying both inorganic and organic components of GSR.</p><p>To address this challenge, a combined analytical approach integrating scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDS) and comprehensive two-dimensional gas chromatography (GC×GC) was developed. SEM-EDS enables detailed morphological and elemental characterization of particles, identifying features such as size, shape, and elemental composition. In parallel, GC×GC provides enhanced separation and detection of organic gunshot residue (OGSR), offering significantly improved resolution and peak capacity compared to conventional one-dimensional GC methods.</p><p>Method development focused on optimizing GC×GC parameters, including inlet temperature, modulation period, and chromatographic conditions, to improve analyte detectability. As illustrated by chromatographic data, optimized conditions led to better separation and increased visibility of key compounds compared to standard methods. The approach was validated using multiple standards, including phthalates, nitroaromatic compounds, nitroglycerin, and gun surveillance mixtures, demonstrating reliable identification of relevant analytes in complex matrices.</p><p>Overall, this integrated workflow represents a promising strategy for modern GSR analysis, particularly for samples derived from green ammunition. By combining inorganic particle characterization with advanced organic residue analysis, the method enhances analytical confidence and expands the capability of forensic laboratories. Future work will focus on further method refinement, including sorbent-based extraction techniques and the incorporation of retention indices, to strengthen robustness and support admissibility under forensic standards.</p></div></div></div></div></div></div></section><h3><strong>4. Shimadzu: Simple Aroma Component Analysis Using </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=gc-2060"><strong>Nexis GC-2060</strong></a><strong> with a Multi-Mode Inlet (MMI) Detectors</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01165_en_9af6a30e20.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>By installing an MMI in a Nexis GC-2060 system, a wide variety of injection methods can be used .</li><li>By using a MonoTrap silica monolith sorbent to collect aroma components, highly sensitive analysis can be achieved without cumbersome extraction procedures.</li><li>With the MMI thermal desorption/extraction mode, aroma components can be analyzed without dedicated sample-preparation equipment.</li></ul><p>Given that aroma is an important attribute of foods, gas chromatography (GC) and gas chromatography–mass spectrometry (GC-MS) are often used for qualitative and quantitative analysis of aroma components. Aroma components are typically collected from foods using headspace sampling, solid-phase microextraction (SPME), or liquid extraction methods, but for this article, a MonoTrap silica monolith sorbent was used to collect aroma components from alcoholic beverages. With the MonoTrap, aroma components can be collected and concentrated without cumbersome extraction procedures, enabling highly sensitive analysis.&nbsp;</p><p>In this case, aroma components were analyzed using a Nexis GC-2060 gas chromatograph system equipped with a MultiMode Inlet (MMI). The MMI is a newly developed inlet that supports a wide range of injection methods. This article describes using the thermal desorption/extraction mode, one of the methods available with the MMI, to desorb the aroma components collected on the MonoTrap sorbent and inject them into the GC unit. That enabled highly sensitive aroma analysis while reducing analysis costs, without using dedicated sample-preparation equipment.</p><h4><strong>Overview of the Multi-Mode Inlet (MMI)</strong></h4><p>The Nexis GC-2060 can be equipped with a Multi-Mode Inlet (MMI) (Fig. 1 (right)), a new type of inlet . The MMI is a newly developed inlet that allows many injection methods to be used with a single inlet—not only the commonly used split/splitless injection methods, but also programmed temperature vaporizing (PTV) injection, direct injection, large volume injection, and thermal desorption/extraction methods . It supports a wide range of applications across many fields, including analyzing pesticide residues in foods using largevolume injection and aroma analysis using thermal desorption. Because the MMI enables rapid temperature ramping at rates up to 1200 °C/min, it can suppress peak broadening. In addition, by selecting optional cooling with compressed air or liquid nitrogen, analysis cycle times can be shortened with fast cooling. The GC-2060 also comes standard with the “Easy sTop” function, which allows inlet maintenance to be performed immediately with simple steps, enabling smooth maintenance operations, such as insert replacement, even after cooling.</p><h4><strong>Conclusion</strong></h4><p>By analyzing aroma components using the Nexis GC-2060 in combination with a Multi-Mode Inlet (MMI) and a MonoTrap silica monolith sorbent, aroma characteristics of respective alcoholic beverages could be analyzed and evaluated easily without dedicated sample-preparation equipment and without performing cumbersome extraction procedures. Acknowledgements We would like to express our sincere gratitude to President Shiro Yamada and Mr. Dai Takai of Far Yeast Brewing Co., Ltd., and to President Narihiro Suzuki and Mr. Takuma Yamamiya of ISEKADO (Isekadoya Brewery) for their cooperation in conducting these measurements.</p>

News from LabRulezGCMS Library - Week 17, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 27th April 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application note by<strong> Shimadzu, </strong>scientific article by <strong>BaySpec, </strong>poster by <strong>MDCW / JEOL</strong> and technical note by <strong>Thermo Fisher Scientific!</strong></p><h3><strong>1. BaySpec: PNNL and BaySpec Launch Compact Mass Spectrometry System for Rapid Narcotics Detection</strong></h3><ul><li>Scientific article</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/PNNL_and_Bay_Spec_Launch_Compact_Mass_Spectrometry_System_for_Rapid_Narcotics_Detection_087ddb9b7e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The U.S. Department of Energy’s Pacific Northwest National Laboratory’s (PNNL) VaporID, which is a newly developed portable air sampling system incorporating a miniaturized mass spectrometer (MS), can detect trace levels of fentanyl, methamphetamine, cocaine, and even explosives like TNT with great accuracy, the laboratory announced in a press release (1). Because of its success, BaySpec, an optical products manufacturer, is commercializing this instrument, which will be produced later in 2025 (1,2).&nbsp;</p><p>The new system employs a technique known as noncontact detection, which collects airborne molecules and analyzes them in real time using a miniature mass spectrometer (1). The VaporID device was first developed in 2020. The device won GeekWire’s Innovation of the Year award that same year (2). At the 2025 American Society for Mass Spectrometry (ASMS) conference in Baltimore Maryland, Krisztian Torma, a BaySpec scientist and one of the lead developers, presented the latest test results of the device. The VaporID device was field-tested at the U.S.–Mexico border crossing in Nogales, Arizona. Working with the U.S. Customs and Border Protection (CBP) agency, the device was able to successfully identify trace amounts of fentanyl, as well as other narcotics including MDMA (ecstasy), methamphetamine, ketamine, and cocaine (1).</p><p>Fentanyl, explosives, and other drugs have low vapor pressure, which means that they do not willingly evaporate and release very few molecules into the air. Given the fact that there are often other interfering chemicals in the air, this presents a detection challenge. The VaporID system overcomes this hurdle by filtering out irrelevant vapors and enhancing signal clarity (1).&nbsp;</p><p>The success of the VaporID system is the result of a two-year collaboration between PNNL and BaySpec. With plans to commercialize the system by the end of the year, BaySpec aims to bring this advanced narcotics and explosives detection tool into routine use at ports of entry, airports, shipping facilities, and public event venues (1).</p><h3><strong>2. MDCW / JEOL: ANALYSIS OF AROMA COMPOUNDS IN SPICES BY COMPREHENSIVE TWO-DIMENSIONAL GAS CHROMATOGRAPHY/TIME-OF-FLIGHT MASS SPECTROMETRY WITH MACHINE LEARNING-BASED STRUCTURE ELUCIDATION AND MOLECULAR FORMULA ESTIMATION</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_9_Kubota_90c993d536.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>In GCxGC-MS, compound identification is commonly performed by searching the NIST database (DB) using electron ionization (EI) data. However, some compounds are not registered in the NIST DB. In addition, molecular formula estimation from molecular ions obtained by soft ionization often results in a large number of candidate formulas. To address these issues, we developed two machine learning (ML)–based methods for molecular formula recommendation and structural formula estimation. In this study, these methods are applied to the analysis of aroma compounds in spices using SPME-GCxGC-TOFMS.</p><h4><strong>Experiments</strong></h4><ul><li><strong>Sample: </strong>0.25 mg dried cardamom seeds&nbsp;</li><li><strong>GC-HRTOFMS:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=23&amp;search=JMS-T2000GC"><strong>JMS-T2000GC</strong></a> (JEOL)&nbsp;<ul><li>SPME Fiber: DVB/CAR/PDMS fiber (20 mm, 50/30 μm) at 50°C for 30 min.&nbsp;</li><li>GCxGC Thermal modulator: INSIGHT-Thermal (Sepsolve)&nbsp;</li><li>Modulation period: 6 s&nbsp;</li><li>Column: BPX5 30 m, 0.25 mm. 0.25 µm × Rxi-17Sil MS 3.4 m, 0.15 mm, 0.15µm</li><li>Ionization: Electron ionization (EI) and Field ionization (FI).&nbsp;</li></ul></li><li><strong>Data processing:</strong> msFineAnalysis AI (JEOL)</li></ul><h4><strong>Conclusion</strong></h4><p>We reported two machine learning (ML)-based methods for molecular formula recommendation and structural formula estimation, and applied them to the analysis of aroma compounds. Our method is considered effective for rapid structural estimation of unknown compounds in GCxGC-MS measurements.</p><h3><strong>3. Shimadzu: HS-GC Analysis of Sake Aroma Compounds Using Hydrogen Carrier Gas</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00886_en_974e971712.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>Aroma compounds in alcoholic beverages can be quantified easily and cost-effectively.</li><li>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=HS-20+NX"><strong>HS-20 NX headspace sampler</strong></a> enables simple, high-sensitivity analysis of aroma compounds.</li><li>Using hydrogen as the carrier gas reduces costs while maintaining separation performance.</li></ul><p>Aroma is a crucial component of sake. Therefore, during the sake production process, it is essential to preserve the sake’s aroma profile. One key step in sake production is pasteurization (“hiire”), in which unpasteurized sake is heated to sterilize it, deactivate enzymes, and halt fermentation. This pasteurization step is known to impair the aroma of sake if it is carried out for too long or at too high a temperature. In this analysis, a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2030"><strong>Nexis GC-2030 gas chromatograph</strong></a> was combined with an HS-20 NX headspace sampler (Fig. 1) to quantify individual aroma compounds in sake before and after pasteurization.&nbsp;</p><p>Headspace gas chromatography (HS-GC) is an effective method for analyzing volatile compounds, including aromas. HS-GC requires no pretreatment (e.g., derivatization), and sample preparation is straightforward: simply place the sample in a vial and perform the analysis.&nbsp;</p><p>Hydrogen, which is inexpensive and readily available, was used as the carrier gas. Using H2 gas as the carrier reduces analysis costs while maintaining high separation performance over a wide range of linear velocities. However, because hydrogen is flammable, it must be handled with care. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2030"><strong>Nexis GC-2030</strong></a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050"><strong>Brevis GC-2050</strong></a>, and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2060"><strong>Nexis GC-2060</strong></a> gas chromatographs can be equipped with an optional hydrogen sensor that measures H2 concentration in the column oven. If the hydrogen sensor detects a leak, the system shiftsto standby mode or automatically powers off, helping prevent accidents before they occur.</p><h4><strong>Conclusion</strong></h4><p>By combining the Nexis GC-2030 gas chromatograph with the HS-20 NX headspace sampler, the aroma compounds can be easily quantified without pretreatment such as derivatization. In addition, using inexpensive, readily available H2 as the carrier gas reduces analysis costs while maintaining high separation performance. Because the Nexis GC-2030 can be equipped with an optional hydrogen sensor, analyses using H2 carrier gas can be performed safely.</p><h3><strong>4. Thermo Fisher Scientific: “Outside the box” Raman spectroscopy: Remote measurements for bulk samples</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/remote_measurements_for_bulk_samples_tn1524_en_498225b670.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The effectiveness of Raman spectroscopy depends, in general, on focusing the excitation laser onto the sample. However, there are many cases where a traditional spectrometer’s working distance is not sufficient to achieve this, in which case a focus-independent, long-distance collection proves invaluable. One potential application of this focus-independent “remote” measurement is high-throughput plastics recycling, where many differently sized plastics are passed along at a fixed distance and screened for specific material identification. Similarly, any potential use cases of samples inside a glove box or within a hazardous environment may benefit from long-distance collection, because the laboratory grade spectrometer can be kept clear of the sample enclosure while providing excellent spectral signal. It should be noted that each unique application comes with its own optical beam path and laser safety requirements.</p><p>In addition to this particular modality, the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2238"><strong>Thermo Scientific™ DXR3 Flex Raman Spectrometer</strong></a> provides excellent experimental versatility with micro scale, bulk sampling, and fiber probe collection modes also available. Shown below is a longdistance analytical setup in which the DXR3 Flex Raman spectrometer passes the unfocused laser beam through a quartz shielding window onto a polystyrene sample (Figure 1). The relationship between pathlength/sample mounting preparation and spectral signal is investigated below, to validate the use of a long-distance collection mode as a viable alternative to more traditional, focus-dependent analysis. It is worth mentioning the practice of standoff Raman spectroscopy, a technique designed to provide Raman data at distances ranging from 1 m to several hundred meters. However, these systems often require significantly different components than a standard Raman spectrometer, such as pulsed lasers, gated detectors, UV excitation wavelengths, and telescopic focusing elements.¹ The work described here performs measurements at a distance with a simple, off-the-shelf, benchtop spectrometer.</p><h4><strong>Practical use case: recycled plastic identification&nbsp;</strong></h4><p>One of the major benefits of this long-distance measurement technique is being able to handle samples of various sizes and thicknesses without needing to adjust the laser focus for specific samples. The following results simulate a potential use case where remote Raman spectroscopy is used to rapidly identify the plastic materials of various sizes. The samples were fixed at a 50 cm pathlength, and collection times were set at 10 s.</p><p>All three samples show clear and identifiable Raman signals. The plastic drum is identified as polyethylene, while the water bottle is a specific, BPA-free polycarbonate alternative. The plastic bag is multilayered, with signals from both polyethylene and polycarbonate, along with a visible fluorescence peak at 2150 cm-1. All of these different polymers are spectroscopically identifiable, and at a range of different sample thicknesses. These results provide an excellent view into the use of this technique on non-reference samples. This is just one example of a potential use for the long-distance collection mode, a mode which enables much greater versatility in experimental design and instrument placement.</p></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 18, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 1st June 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you brochure by <strong>Agilent Technologies</strong>, application note by<strong> Shimadzu, </strong>and<strong> </strong>presentation by <strong>MDCW / University of Washington!</strong></p><h3><strong>1. Agilent Technologies: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890B"><strong>Agilent 8890B Gas Chromatograph</strong></a></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ds_8890_gas_chromatograph_5994_9064en_agilent_94b0175782.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The Agilent 8890B GC delivers high‑performance gas chromatography through advanced electronic pneumatic control, precise oven temperature management, and Agilent capillary flow technology, which provides reliable, leak‑free, in‑oven connections and supports flexible system configurations with minimal method development time.&nbsp;</p><p>An upgrade, more responsive 7-inch capacitive touchscreen and a full Agilent GC Assist interface, offer real-time status, configuration, signal monitoring, and remote access for setup, troubleshooting, leak checking, maintenance, and method management across devices.&nbsp;</p><p>Sustainability features include programmable sleep and wake modes to reduce resource consumption, along with gas and power usage calculators that track method‑level efficiency. Known for reliability and long life, Agilent GC systems are supported by a 10‑year use guarantee to ensure a low cost of ownership.</p><h4><strong>GC system capabilities&nbsp;</strong></h4><ul><li><strong>Retention time repeatability: </strong>&lt; 0.008% or &lt; 0.0008 minutes&nbsp;</li><li><strong>Area repeatability:</strong> &lt; 0.5% RSD&nbsp;</li></ul><p>Built-in intelligence autonomously monitors the health of the system, alerts the user of potential issues before they affect chromatographic performance, and offers helpful step-by-step guides to resolve issues.&nbsp;</p><p>The 7-inch touch screen gives a visual report of the system configuration, letting you update the active method, perform maintenance routines, and check GC instrument status.&nbsp;</p><p>The GC Assist interface provides remote connectivity enabling you to monitor your smart GC system, check system logs, and perform diagnostics tests, from inside or outside the&nbsp;laboratory.&nbsp;</p><p>Maintenance and service modes, including autonomous leak checks, are easily accessed from the touchscreen and browser interface.&nbsp;</p><p>Atmospheric pressure and temperature compensation are built into every system, so results do not change, even when the laboratory environment does.</p><p>Automatic liquid sampling is fully integrated into mainframe control and includes up to 3-layer sandwich injections and sample preparation capabilities such as heating, mixing, standard addition, and derivatizations.&nbsp;</p><h5><strong>Simultaneously supports&nbsp;</strong></h5><ul><li>Two inlets&nbsp;</li><li>Five detectors&nbsp;</li><li>Four detectors (with additional large valve oven&nbsp;option)&nbsp;</li><li>Support for up to 10 valves&nbsp;</li><li>Six GC column Smart Key ports&nbsp;</li></ul><h5><strong>Instrument dimensions&nbsp;</strong></h5><ul><li><strong>Height: </strong>49 cm (19.2 in)&nbsp;</li><li><strong>Width: </strong>58 cm (22.9 in) with EPC inlet and detectors; 68&nbsp;cm (26.8 in) with detector as TCD or with certain valving options mounted on the left side of the GC&nbsp;</li><li><strong>Depth: </strong>51 cm (20.2 in)&nbsp;</li><li><strong>Typical weight:</strong> 49 kg (108 lb)&nbsp;</li></ul><h5><strong>Maintenance and support services&nbsp;</strong></h5><ul><li>Integrated early maintenance counters that allow planned maintenance and help eliminate unnecessary downtime&nbsp;</li><li>Instrument events or shutdowns displayed on keyboard display or data system</li><li>Remote diagnostics&nbsp;</li><li>Performance verification services&nbsp;</li><li>Easy parts identification and part number finder software (standalone software, does not require Agilent CDS)</li></ul></div></div></div></div></div></div></section><h3><strong>2. MDCW / University of Washington: Tile-based Analysis of GC×GC-TOFMS Data of SPME Sampled VOCs Produced from Pseudomonas aeruginosa and Aspergillus fumigatus</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_8_Wenjing_34786a3e4a.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>This presentation describes a novel chemometric approach for analyzing complex GC×GC-TOFMS datasets generated from volatile organic compounds (VOCs) released by the pathogens <i>Pseudomonas aeruginosa</i> and <i>Aspergillus fumigatus</i>. These microorganisms frequently coexist in the lungs of cystic fibrosis patients, where their interactions are associated with worsening respiratory function and poorer clinical outcomes. The study aims to identify VOC biomarkers that distinguish microbial monocultures, cocultures, and growth media controls, providing insights into pathogen interactions and potential diagnostic markers.</p><p>To achieve this, the researchers combined solid-phase microextraction (SPME) sampling with comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/37"><strong>GC×GC-TOFMS</strong></a>). This analytical platform offers high chromatographic resolution, rapid spectral acquisition rates of up to 500 spectra per second, and rich three-dimensional datasets containing chromatographic and mass spectral information. However, each chromatogram can contain more than one million data points, creating significant challenges for data processing and interpretation.</p><p>The core of the work focuses on tile-based feature selection methods implemented through the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/348"><strong>ChromaTOF Tile software</strong></a>. The primary approach, tile-based Fisher Ratio (F-ratio) analysis, identifies analytes that differ statistically between sample classes by comparing between-class and within-class variance. Using this strategy, the authors discovered 576 VOC features capable of differentiating growth media, <i>P. aeruginosa</i> monocultures, <i>A. fumigatus</i> monocultures, and cocultures. Additional pairwise statistical testing was then used to determine which specific classes were responsible for the observed differences. Representative VOCs characteristic of each class were identified, including heptanal for <i>P. aeruginosa</i>, 1-octen-3-ol for <i>A. fumigatus</i>, and several unique compounds associated with coculture conditions.</p><p>The presentation also addresses practical challenges associated with high-throughput experimentation, where replicate measurements may be limited by time, cost, or sample availability. To overcome these constraints, the team developed complementary tile-based coefficient of variation (CV) and fold-change (FC) approaches that can identify important analytes using as little as a single replicate per sample class. The authors conclude that selecting the appropriate feature-selection strategy—F-ratio, CV, or fold-change—depends on the experimental design and available data. Future work will focus on advanced analyte identification using chemometric tools such as PARAFAC, enabling deeper biological interpretation of microbial VOC signatures and their relevance to cystic fibrosis research.</p><h3><strong>3. Shimadzu: Alcohol Determination of Sanitizer Gel Using </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2060"><strong>Nexis GC-2060</strong></a></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01120_en_ed83896803.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>The newly developed FID on the Nexis GC-2060 provides excellent linearity for high-concentration samples.</li><li>The Nexis GC-2060 enables rapid oven heating and cooling, allowing results to be obtained quickly.</li><li>A special liner for aqueous solutions and an Xtra Life Microsyringe enable highly repeatable data acquisition</li></ul><p>Methods for alcohol determination are specified in USP (United States Pharmacopeia) General Chapters &lt;611&gt; ALCOHOL DETERMINATION, which describes both a distillation and a gas chromatography method. In USP &lt;611&gt;, Method II (gas chromatography) includes a capillary column method (Method IIb).&nbsp;</p><p>For GC analysis of samples containing a large amount of water (e.g., sanitizing ethanol), sample vaporization may become unstable, resulting in abnormal peak shapes and poor repeatability. In addition, with a standard micro-syringe for AOC, the plunger may become stiff during aspiration and dispensing of aqueoussolutions, which can degrade repeatability.&nbsp;</p><p>This article presents an example of alcohol determination in sanitizing ethanol using the Nexis GC-2060 equipped with a newly developed FID. The Nexis GC-2060 can be configured with a newly developed FID that has high sensitivity and excellent linearity. In addition, a special liner for aqueous solutions and an Xtra Life Microsyringe were used to achieve repeatable analysis.</p><h5><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2060"><strong>Nexis GC-2060</strong></a><strong> and the Newly Developed FID</strong></h5><p>The Nexis GC-2060 is a gas chromatograph that combines world-class analytical performance with workflow optimization based on the latest technologies. Rapid oven heating and cooling shorten analysis cycle time and improve throughput. The GC-2060 can also be equipped with a newly developed FID (Fig. 1). This FID offers world-class sensitivity and improved linearity.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The alcohol concentration in a commercially available sanitizing gel was determined using the Nexis GC-2060 equipped with the newly developed FID. The results met the system suitability requirements of USP &lt;611&gt; Method IIb, confirming the effectiveness of the Nexis GC2060 equipped with the new FID, along with the special liner for aqueous solutions, and the Xtra Life Microsyringe for repeatable analysis of aqueoussamples</p></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 23, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 27th July 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies </strong>and<strong> Thermo Fisher Scientific, </strong>poster by <strong>MDCW / University of Washington </strong>and brochure by <strong>Shimadzu!</strong></p><h3><strong>1. Agilent Technologies: Routine Trace‑Level Analysis of m‑Xylene in High‑Purity p‑Xylene</strong></h3><p><strong>Using the </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890B"><strong>Agilent 8890B GC system</strong></a></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_trace_analysis_m_xylene_high_purity_p_xylene_5994_9329en_agilent_508bcfb48c.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The Agilent 8890B GC system builds on the exceptional performance of the Agilent 8890A GC, with the addition of many features designed to enhance the user experience for both new and expert‑level operators. This application note explores several use cases of these features applied to a challenging GC purity method—quantifying trace‑level m‑xylene (MX) in p‑xylene (PM). This separation requires careful balancing of optimized chromatographic parameters— speed, resolution, and sensitivity. Leveraging Agilent GC Assist features, including early maintenance feedback (EMF) counters and automated peak evaluation capabilities integrated into the 8890B GC, helps maximize method robustness and instrument uptime.&nbsp;</p><p>Though conceptually simple, separating and measuring small quantities of m‑xylene in p‑xylene is a challenge that requires precise instrument control and the highest‑quality GC parts and consumables. As both compounds are positional isomers and have nearly identical boiling points, separation has historically been achieved using a long and highly polar column, such as a polyethylene glycol "wax" phase. ASTM D7504 recommends a wax column with dimensions 60&nbsp;m × 0.320 mm and 0.25 µm phase thickness. A 0.50 µm phase thickness can be used for increased resolution.1 The separation is validated with a p‑xylene standard containing approximately 1,000 ppm m‑xylene. Measuring m‑xylene at significantly lower concentrations requires an increase in resolution between MX and PX, which can be accomplished by increasing the phase thickness of the column at the cost of increased peak broadening. This broadening negatively impacts the limit of detection (LOD) and the limit of quantification (LOQ) for MX and must be offset by reducing the inner diameter of the column to resharpen the peak. This application note demonstrates the use of 0.200 mm and 0.100 mm id wax columns to yield optimized separations, presenting the associated benefits and limitations of both&nbsp;separations.</p><h4><strong>Experimental</strong></h4><p>An <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890B"><strong>8890B GC</strong></a> was configured with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7650A"><strong>Agilent 7650A automatic liquid sampler</strong></a> (ALS), split/splitless (SSL) inlet, and flame ionization detector (FID). Two columns were used to explore two different separation speeds—a faster separation with less sample capacity using an Agilent J&amp;W DB‑WAX&nbsp;FF column, 20 m × 100 µm, 0.2 µm (p/n 127‑7023FF) and a higher‑resolution separation with more sample capacity using an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=J%26W+HP%E2%80%91INNOWax"><strong>J&amp;W HP‑INNOWax</strong></a> column, 50 m × 200 µm, 0.4 µm (p/n 19091N‑205I). Both methods used hydrogen carrier gas, and Agilent Gas Clean filters were used to remove moisture, hydrocarbons, and oxygen from the carrier gas and FID hydrogen. The FID air was filtered for moisture and hydrocarbons. The GC configuration and method details can be found in Tables 1 and 2, respectively.</p><h4><strong>Results and discussion</strong></h4><p>Establishing and ensuring the method’s long‑term stability requires protecting the column stationary phase by limiting the amount of oxygen in the system. While carrier gas contamination is typically the largest source of unwanted oxygen, the inlet septum can also contribute to oxygen ingress as successive syringe injections create a hole, necessitating regular changing. The Agilent portfolio of consumables and supplies has several solutions specifically designed to overcome these challenges. The Gas Clean purification system features a carrier gas filter that removes oxygen, moisture, and hydrocarbons and includes a color‑changing visual indicator of filter life, which can be monitored remotely by the 8890B GC using an optional optical sensor. Advanced Green septa are engineered for low bleed and extended durability, further enhanced by using a Blue Line autosampler syringe with a tapered needle to reduce physical coring of the septum. Regular maintenance of these parts maximizes instrument uptime. The 8890B GC has several features designed to warn when maintenance is approaching, assist when maintenance is required, and track when maintenance is completed.</p><p>The 8890B GC features intelligent tracking of the ages of consumables using injection‑ and time‑based counters. These EMF counters feature two optional warning thresholds—"Service Warning" and "Service Due"—that are user‑configurable and function like the oil light on the dashboard of a vehicle, telling users of approaching maintenance. The EMF counters can be accessed directly through the GC touchscreen or through the GC Assist interface. Figure 1 shows an overview of the EMF counters for the front inlet, and Figure 2 presents the detailed history of septum maintenance, including a running tally of injections on the current septum. When performing maintenance on the 8890B GC using the guided maintenance process on the touch screen or GC Assist interface, the EMF counters are automatically reset at the end of the procedure and can also be reset manually. For this application, the EMF counters and appropriate warning thresholds for the septum, liner, syringe, column, inlet gold seal, and carrier gas filter will be explored.</p><h4><strong>Conclusion</strong></h4><p>The Agilent 8890B GC system—powered by the highest‑quality Agilent columns and supplies—delivers a robust, sensitive solution for measuring trace‑level m‑xylene (MX) in p‑xylene (PX). The Agilent J&amp;W HP‑INNOWax column produced the highest‑resolution separation and the best retention time stability, with an S/N ratio of 98.5 for 50&nbsp;ppm MX. The narrower Agilent J&amp;W DB‑WAX FF column yielded a 40% faster run time at the cost of lower resolution and retention time stability, with an S/N ratio of 27.7 for 50&nbsp;ppm MX. The integrated Agilent GC Assist features, peak evaluation and early maintenance feedback (EMF) counters, provide intelligent, automated monitoring of system and separation health, maximizing instrument uptime and supporting long‑term success with routine trace analysis.</p><h3><strong>2. MDCW / University of Washington: Developing 2D mzCompare for single GC×GC-TOFMS chromatograms: Substantial resolution enhancement in the context of statistical overlap theory</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_4_Wenjing_899f31a19e.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>Accurate identification of all detectable analyte components in a single comprehensive twodimensional (2D) gas chromatography time-of-flight mass spectrometry (<strong>GC×GC-TOFMS</strong>) chromatogram is a fundamental interest in the field. Herein, we developed a new algorithmic software approach called 2D mzCompare to generate accurate peak tables for GC×GCTOFMS. Extending from our original method for one-dimensional GC-MS data, the 2D mzCompare algorithm discovers selective mass channels (m/z) for each analyte to resolve overlapping peaks and improve analyte identification, leveraging the similarity in retention time and peak shape across m/z of the same analyte. The 2D mzCompare algorithm calculates the peak shape similarity between m/z at every modulation via lack-of-fit (LOF), followed by clustering and focusing steps, to generate a final peak table. To evaluate this software, we simulated realistic GC×GC-TOFMS data in the context of the statistical overlap theory (SOT), so the exact number and identities of analytes are known a priori. Utilizing an in-house mass spectrum library of similar compounds, GC×GC-TOFMS chromatograms were simulated with varying degrees of chromatographic saturation (𝛼2𝐷). First, we provide a new algorithmic approach, 2D mzCompare, to resolve overlapped analytes in GC×GCTOFMS data, and second, we validate the accuracy of the software performance using SOT.</p><h4><strong>Conclusions and Future Work</strong></h4><p>An extended algorithm, 2D mzCompare designed for intra-chromatogram comparison to enable rigorous analyte discovery and identification, was developed for GC×GC-TOFMS data. Within the context of SOT, 2D mzCompare increases separation resolution by computationally minimizing the 2D peak widths, enhancing 2D peak capacity and reducing the saturation factor. At low saturation factors (𝛼2𝐷= 0.01, 0.03, and 0.1), over 95% of the simulated components are found to be mathematically resolved singlets (pure analyte components) by 2D mzCompare, while approximately 62% were found at 𝛼2𝐷 = 1, exceeding predictions made by SOT. Using optimized 2D mzCompare parameters, improvements in 2Rs and 𝛼2𝐷 are about 12-fold, empirically validating SOT expectations. Furthermore, 2D mzCompare can be used as a preprocessing tool to determine or validate the “rank” (the number of analyte components) in overlapped regions of GC×GC-TOFMS chromatograms when combined with chemometric methods such as MCR-ALS or PARAFAC. Future studies will focus on applying the algorithm to real sample datasets.</p><h3><strong>3. Shimadzu: Meet The World’s First Multi-Mode FID In </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GC-2060"><strong>Nexis GC-2060</strong></a></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/s_gc_f33_3f7f48eead.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>High Performance And Low Maintenance Multi-Mode FID&nbsp;</strong></h4><p>The new FID-U (2.0) in the Nexis <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GC-2060"><strong>GC-2060</strong></a> reengineers conventional FID to maximize uptime and efficiency. With new Air and O2 makeup gas options, you can streamline your gas supply – saving cylinder costs and lab space. Its capabilities can be further expanded with Shimadzu’s proprietary Jetanizer and Polyarc microreactors.</p><h4><strong>Cylinder-Free FID Operation With Hy/Ox and Hy/Air Modes</strong>&nbsp;</h4><p>Routine operation with traditional FIDs is often costly and complex, requiring a three-gas setup: a He or N<sub>2</sub> makeup gas combined with H<sub>2</sub> and Air. The new FID simplifies your infrastructure by introducing Air and O<sub>2</sub> as makeup gas alternatives, unlocking true cylinder-free operation.* This helps to reduce running cost and cut helium usage.</p><h4><strong>Keep Your Bench Space As You Expand Your Analyte Coverage&nbsp;</strong></h4><p>Seamlessly integrate Jetanizer and Polyarc microreactors to boost detector response for weak or undetectable compounds. The new FID delivers simpler quantitation and broader analysis capabilities with zero extra footprint.</p><h4><strong>Jetanizer Mode (CO and CO2 Detection)&nbsp;</strong></h4><ul><li>Converts CO and CO2 to CH4 for detection&nbsp;</li><li>Enabled by simply replacing the FID nozzle&nbsp;</li></ul><h4><strong>Polyarc Mode (Single-Calibration Approach)&nbsp;</strong></h4><ul><li>Converts hydrocarbons, CO and CO2 to CH4 for detection&nbsp;</li><li>Provides universal response across compounds&nbsp;</li><li>Quantitates the above using just one calibration curve</li></ul><h3><strong>4. Thermo Fisher Scientific: Measuring destruction efficiency of greenhouse gases released by semiconductor fabrication tools</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/AN_54654_MAX_i_R_Semi_Febrication_EN_9ce9475305.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Background&nbsp;</strong></h4><p>Modern materials processing activities involve the use of cold plasmas employing fluorinated gases as reactive species. Some of these gases have been demonstrated to exhibit deleterious environmental consequences resulting in their being labelled as greenhouse gases or GHGs. Among the list of GHGs undergoing intense review are those of fluorinated gases, such as NF<sub>3</sub>, CF<sub>4</sub> , SF<sub>6</sub>, CH<sub>2</sub>F<sub>2</sub> , etc. Many of these gases are either reactants or are generated as by-products of semiconductor wafer fabrication processes, such as etching and chemical vapor deposition. Therefore, semiconductor fabrication plants (SemiFabs) employ abatement tools to destroy and dilute these fluorinated gases before they reach a stack scrubber. This process assures that they will meet EPA regulations which require yearly facility-dependent GHG emission audits. European and Asian semiconductor manufacturers must meet similar regulations as well.&nbsp;</p><h4><strong>Problem&nbsp;</strong></h4><p>To ensure that the abatement process occurs efficiently, SemiFabs are required to audit selected abatement devices (one per each wafer processing tool employed) such that each device gets periodically reviewed for efficiency in destroying these GHGs before they are released to the scrubber. Since there are hundreds of abatement devices within a single SemiFab, the monitoring process must be accurate, fast (one or two hours), and able to monitor multiple fluorinated species simultaneously. Most SemiFabs utilize a series of devices to perform the necessary measurements required to calculate an overall destruction efficiency for each fluorinated species. Among the measurements required are the dilution factor (the overall ratio of the flowrate into the abatement device to that of the flowrate out of the abatement device). In most cases, this requires the use of a krypton gas tracer and a mass spectrometer (for measurement of flowrate out) in addition to an FTIR to measure a separate infrared-active gas tracer (for measurement of flowrate in). Also required is another more sensitive FTIR to measure the residual fluorinated gases which survived destructive processes within the abatement device. The result is a very bulky and cumbersome system to measure input and output flows and concentrations. What is needed is a much simpler and fully integrated measurement system capable of performing ALL these tasks.</p><h4><strong>Solution&nbsp;</strong></h4><p>Thermo Fisher Scientific has developed a new methodology for measuring abatement destruction efficiencies with a much simpler system. The system uses the <strong>Thermo Scientific™ MAX-iR™ FTIR Gas Analyzer</strong> with DTGS detector in conjunction with the <strong>Thermo Scientific™ Automated Sample Console (ASC-10™)</strong>. The MAX-iR analyzer can monitor the entire IR spectral range (500-5000 cm-1) without the need for liquid nitrogen. The ASC-10 allows for the precise measurement of post-abatement flow by determining the dilution of a tracer infrared gas or gases; this obviates the need for a spacious and costly mass spectrometer and krypton gas utilized in the previous system.</p></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 31, 2026

News from LabRulezGCMS Library - Week 33, 2026

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European Symposium on Analytical Spectrometry (ESAS) 2026

2026 AOAC INTERNATIONAL Annual Meeting & Exposition

Shimadzu at 2026 AOAC Annual Meeting & Exposition

ICP-MS for Hybrid Photoelectrode Characterization

Modern Methods for Faster Microbial Analysis

Addressing LC Method Optimization - Scaling For Efficiency, Throughput And Reproducibility