Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 8th December 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies and Thermo Fisher Scientific and other document by Shimadzu!<h3>1. Agilent Technologies: High-Precision Determination of Four Greenhouse Gases in the Atmosphere Using the Agilent 8890 GC</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_monitoring_greenhouse_gas_8890_gc_5994_8744en_agilent_0e08f0909f.pdf">Full PDF for download</a></li></ul>Currently, China is actively implementing dual-control measures on total energy consumption and intensity. The Ministry of Ecology and Environment issued "The 14th Five-Year Plan for Ecological and Environmental Monitoring", which specifically highlights the advancement of technologies for direct measurement of carbon emissions. It calls for organizing pilot projects in multiple key industries and enterprises to monitor greenhouse gas emissions such as carbon dioxide and methane, establishing greenhouse gas monitoring networks in key cities, and upgrading the greenhouse gas monitoring capabilities of national atmospheric background stations. As a result, conducting greenhouse gas monitoring within the environmental protection stations of provinces and cities has become a critical task.The use of GC for detecting greenhouse gases has a long history. The conventional methods used gas sampling valve for injection, TCD and FID for sequential detection of CO2 and CH4 , or combining a methanizer with an FID to detect CO2 and CH4 in one analytical channel and detecting N2O on ECD in another analytical channel.2 The analytical precision for CO2, CH4, and N2 O achieved with such configurations typically ranges from 0.2% to 0.5%, but it is difficult to obtain precision better than 0.1%, which does not meet the current requirements for greenhouse gas monitoring accuracy and precision. Moreover, the traditional methods rarely report analytical precision for SF6 at ppt concentration levels. To monitor trace levels of CO2 , CH4, N2O, and ultratrace levels of SF6 on the same GC system with high-precision results, it is necessary to optimize multiple factors included in sample injection, separation, and detection. Furthermore, the system configuration must be flexible enough to allow expansion for future analytical needs, such as incorporating trace CO analysis in air. This work demonstrates how the 8890&nbsp;GC achieves high-precision analysis of four key greenhouse gases by optimizing the injection volume, controlling injection reproducibility, and utilizing multichannel separation and high-sensitivity detectors to ensure the system runs stably in long‑term operation.<h4>Experimental</h4><h5>Instrumental&nbsp;</h5>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC">8890 GC</a> is configured as a three-channel/multivalve/multicolumn system, enabling independent analysis of four greenhouse gases—CH4 , CO2 , N2O, and SF6 —within 8 minutes using a single injection. The target compounds are analyzed in separate channels, reducing chromatographic peak broadening and thereby improving sensitivity and&nbsp;repeatability.&nbsp;<ul><li>For CO2 analysis, a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=methanizer">methanizer</a> is used to convert CO2 to CH4 , which is then detected by FID. The system eliminates the need for dehydration through backflushing and venting operation via switching valves, preventing interference from moisture and oxygen in the air and extending the lifespan of the methanizer.&nbsp;</li><li>For N2O and SF6 analysis, the ECD with hidden anode design is used for high‑sensitivity detection and strong anti‑contaminant capability.&nbsp;</li><li>The CH4 analysis is conducted on a single column with a dedicated large injection loop, significantly enhancing detection sensitivity and repeatability, achieving a detection limit for methane as low as single-digit ppb levels.</li></ul><h4>Conclusion&nbsp;</h4>Based on its exceptional pneumatic control and valve-based flow path design, the multivalve/multicolumn Agilent 8890 GC system achieves high-sensitivity and high-precision measurements of four key greenhouse gases. This is accomplished through optimized and precise control of sample flow rate/volume, selection of premium analytical columns, and the use of highly stable and robust FID and ECD. Standard gas samples of CO2 , CH4 , N2 O, and SF6 , with concentrations equivalent to atmospheric levels, were measured continuously 10 times. The measurement precision for these gases was better than 0.05%, 0.1%, 0.1%, and 0.5%, respectively, fully meeting the high-precision monitoring requirements of environmental monitoring stations at various levels for target greenhouse gases. Compared to other monitoring solutions, this approach is based on a stable and reliable gas chromatography platform that is technically easier to master and deploy. It represents a trusted solution developed by Agilent to assist in establishing a greenhouse gas monitoring network in China.<h3>2. Shimadzu: GC/MS Mass Spectra Library - Polymer Additives Library Ver.2</h3><ul><li>Other document</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c146_e506_d4c93c4d60.pdf">Full PDF for download</a></li></ul><h4>Contains Approximately 5,800 Mass Spectra&nbsp;</h4>This library consists of a library*, which contains 5,775 mass spectra for 590 types of polymer additives and GC/MS pyrolysates from the pyrolysis GC/MS analysis of additives, and a library containing the mass spectra for 65 compounds often targeted for analysis, selected based on their usage in the commercial market, and chemical substance regulatory information. In total, this product contains 5,840 mass spectra, which provides strong support for the analysis of polymer additives. In Ver.2, the compound registration has been newly enhanced, for example vulcanizing accelerators utilized in the rubber filed. Approximately 1,000 spectra have been added.&nbsp;*ADD-MS22B F-Search Additives Library from Frontier Laboratories<h4>Can Be Used with a Variety of GC/MS Systems&nbsp;</h4>The library can be used for a variety of GC/MS applications, including pyrolysis GC/MS, which is widely used for the analysis of additives in polymer materials, and liquid sample injection GC/MS. It supports a wide range of additive analysis for customers.<h4>Library Specifications</h4><ul><li>Registered compounds: 5,775+65&nbsp;</li><li>Registered information: Mass spectrum, retention index for each analytical condition, compound name, molecular weight, compositional formula, structural formula, classification of additives</li><li>Applicable models: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-QP2050">GCMS-QP™ serie</a>s, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-TQ8050">GCMS-TQ™ series</a> (This library does not include MS/MS spectra.)&nbsp;</li><li>Pyrolyzer (Pyrolysis analysis system): <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=43&amp;search=PY-2020D">PY-2020D</a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=43&amp;search=PY-2020iD">PY-2020iD</a>, and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=43&amp;search=EGA%2FPY-3030D">EGA/PY-3030D</a></li><li>Workstations: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMSsolution">GCMSsolution</a>™ Ver. 4.6 and later, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=LabSolutions+GCMS">LabSolutions™ GCMS</a>™ Ver. 5.131 and later, LabSolutions DB/CS GCMS Ver. 6.131 and later</li></ul><h3>3. Thermo Fisher Scientific: Trace analysis of epichlorohydrin in drinking water using GC-MS coupled with purge and trap</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003894_gc_single_quad_isq_7610_environmental_an003894_na_en_70123385ae.pdf">Full PDF for download</a></li></ul>Epichlorohydrin (ECH) is a versatile starting material in the production of drugs and polymers and is also used as an insect fumigant and solvent for organic synthesis reactions. ECH-based polymer pipes are commonly used in the production of drinking water due to their durability and resistance to corrosion. However, ECH is known for its high reactivity and toxicity, which poses significant health risks if it contaminates drinking water. Exposure to ECH can cause respiratory issues, skin irritation, and has been classified as a probable human carcinogen.1Due to these risks, many countries have imposed strict limits on the amount of ECH allowed in drinking water. Recently, Europe set a minimum detection limit (MDL) of 30 parts per trillion (ppt) for ECH in drinking water.2 Whereas typically required detection limits for most compounds mandated for analysis in Europe can be achieved using methods based on static headspace, the stringent MDL required for ECH requires preconcentration, for example using purge and trap (P&amp;T) technology.3,4 This technology involves purging the water sample with an inert gas to release volatile organic compounds (VOCs), which are then trapped and concentrated for analysis, ensuring reliable detection at very low concentrations. In the United States, the analysis of VOCs in drinking water is mandated by the Environmental Protection Agency (EPA). The EPA requires the use of P&amp;T technology for drinking water analysis to ensure that even trace amounts of harmful compounds like ECH are detected and managed appropriately.&nbsp;The following evaluation describes the use of the ISQ 7610 Single Quadrupole MS system coupled with the Thermo Scientific™ TRACE™ 1610 GC with the Thermo Scientific™ HeSaver-H2 Safer™ split/splitless injector and Teledyne LABS Tekmar Lumin P&amp;T concentrator combined with the AQUATek LVA autosampler for the analysis of ECH in drinking water.<h4>Experimental</h4><h5>GC-MS parameters&nbsp;</h5>A <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/486">TRACE 1610 GC</a> was coupled to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484">ISQ 7610 MS</a> equipped with the Thermo Scientific™ NeverVent ™ vacuum probe interlock (VPI) and an ExtractaBrite ion source. A <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1773">Thermo Scientific™ TraceGOLD™ TG-VMS column</a>, 30 m × 0.25 mm, 1.4 µm film (P/N 26080-3320) was used for compound separation. The HeSaver-H2 Safer SSL injector was utilized to reduce the carrier gas consumption by decoupling the gas used for the chromatographic separation from the gas used to pressurize the inlet and maintain split and purge flows. The critical separations were maintained with a run time of under 15 minutes.For this analysis, the ISQ 7610 MS was operated in Selected Ion Monitoring (SIM) mode for increased selectivity, as required for this application. Extended method parameters for the ISQ 7610 MS are shown in Table 2.<h5>Instrument control and data processing&nbsp;</h5>Data was acquired, processed, and reported using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76">Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS)</a>. This software can control both the GC-MS system and the Tekmar Lumin P&amp;T with the AQUATek LVA. This allows a single software to be utilized for the full workflow, simplifying the instrument operation. This application note is available for download via the Thermo Scientific™ AppsLab Library, which contains all the parameters needed to acquire, process, and report the analytical data for analysis of ECH.5<h4>Conclusion&nbsp;</h4>This study demonstrates the capability of the Tekmar Lumin P&amp;T with the AQUATek LVA system connected to the ISQ 7610 Single Quadrupole GC-MS to detect and quantify low-level ECH in drinking water samples, in compliance with EPA requirements.&nbsp;<ul><li>Utilizing the Tekmar Lumin P&amp;T’s ability to purge with nitrogen, along with using the HeSaver-H₂Safer SSL injector, nearly four times less helium was consumed during the analysis without sacrificing system performance.&nbsp;</li><li>The linearity of the calibration curve from 30 ppt to 5,000 ppt passed method requirements.</li><li>The application proved robust during an extended study with 20 samples of a 1,000 ppt ECH standard injected over a series of 124 injections, obtaining 4.4% precision and 118% accuracy of the recovery.</li></ul>

News from LabRulezGCMS Library - Week 50, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 15th December 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies, Shimadzu and brochure by Thermo Fisher Scientific!<h3>1. Agilent Technologies: Increased Thermal Stability of the DB‑5Q GC Column</h3>Increased signal-to-noise for trace level concentrations of controlled substances<ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_stability_gc_column_5994_8658en_agilent_4c52ae52cf.pdf">Full PDF for download</a></li></ul>The analysis of controlled substances by gas chromatography/mass spectrometry (GC/MS) requires a high level of confidence and thus requires a method that provides optimal data quality. Identification of controlled substances relies heavily on comparison of mass spectra to commercially available spectral libraries, and increased column bleed can cause spectral interference at high temperatures. These interferences can lead to poor library matching probabilities.1-3 The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=J%26W+5Q">Agilent J&amp;W 5Q series</a> of gas chromatography columns provide the most thermally stable columns available, which helps to decrease spectral interference due to column bleed and improves data accuracy.&nbsp;Poor thermal stability will cause an increase in the slope of the baseline as the oven temperature is increased, leading to difficult peak integrations and inaccurate quantitation. Additionally, sloped or elevated baselines can lead to a decreased response and a loss of sensitivity for analytes eluting during the oven ramp or at the method’s upper temperature limits. Several commercially available 5ms type columns were compared to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=J%26W+DB-5Q">Agilent J&amp;W DB-5Q GC column</a> to examine the impact thermal stability has on response at upper temperature limits.&nbsp;<h4>Experimental&nbsp;</h4>An <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC">Agilent 8890 GC system</a> coupled with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977B">Agilent 5977B mass selective detector (GC/MSD)</a> with an inert extractor ion source was used for acquisition of data and MassHunter 10.0 Quantitative and Qualitative Analysis software was used for data analysis.&nbsp;A representative toxicology mixture, the Agilent GC/MS forensic toxicology checkout mixture (part number 5190-0471) was used to monitor analytical performance. Calibration standards were prepared in methanol (MeOH) at concentrations ranging from 0.1 to 3.0&nbsp;μg/mL. An internal standard mix was prepared at 10&nbsp;μg/mL from individual stocks of methamphetamine-d3, diazepam-d5, and hydrocodone-d6 all purchased from Millipore Sigma (St.&nbsp;Louis, MO).<h4>Results and discussion&nbsp;</h4>The testing evaluated the Agilent J&amp;W DB-5Q GC column for the analysis of controlled substances by GC/MS. The increased thermal stability of the DB-5Q is seen in the decreased baseline at higher temperatures, as seen in Figure&nbsp;1, and also provides a decrease in the slope during the oven ramping program.&nbsp;An increase in the slope of the baseline will also decrease the signal-to-noise ratio (S/N) of an analyte but will also make integration more difficult and lead to less accurate quantitative results. Figure 2 demonstrates the comparison of the DB-5Q and the commercially available 5ms type G column, and the impact to chromatography during the oven ramp. The S/N for the analytes on the oven ramp slope are a factor of ten or greater for the DB-5Q in comparison to the 5ms type G column.<h4>Conclusion&nbsp;</h4>The increased thermal stability of the Agilent J&amp;W DB-5Q GC column demonstrated in this application note provides a decreased baseline at higher temperatures, which allows for an increased response for later eluting compounds at trace level concentrations. The baseline of the DB-5Q remains more consistent as the temperature is increased. This consistency allows for more accurate integration and quantitation for analytes eluting during oven ramping, in comparison to other commercially available 5ms-type columns. The robust DB-5Q column phase maintained peak shape for trace level basic compounds even when stressed with a heavy matrix and is an excellent choice for the analysis of controlled substance&nbsp;analysis.<h3>2. Shimadzu: Quantitative Analysis of Anti-Degradant Additive (6PPD) in Tire Rubber Using Pyrolysis-GC-MS</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00952_en_b95b2348e5.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>The simple analysis procedure required just cutting off a sample fragment and placing it in a sample cup without pretreatment.</li><li>Utilizing a calibration standard that includes a resin solution allows for analysis under conditions that closely resemble those of samples, which improves the reliability of quantitative measurements.</li><li>With Shimadzu’s Polymer Additive Library, it is possible to acquire information on the additives of identified compounds.</li></ul>6PPD (N-(1,3-dimethylbutyl)-N'-phenyl-p-phenylenediamine) is an anti-degradant (anti-oxidant) additive that is used in many rubber products. Its chemical structure is shown in Fig. 1. It plays an important role in tires by preventing degradation and extending its lifespan. However, when 6PPD reacts with ozone in the atmosphere, it forms a highly toxic substance called 6PPD-quinone (6PPD-Q).&nbsp;As an automotive tire wears, microscopic particles are released from the tire into the environment. These particles, tire road wear particles (TRWP), contain 6PPD-Q along with many other chemical substances. On rainy days, these particles are washed into rivers and other bodies of water, where they accumulate in the environment as microplastics.&nbsp;There are serious concerns about the negative effects these microplastics have on ecosystems and the environment. 6PPDQ has been shown to induce acute mortality in Salmonidae fish, specifically coho salmon. 1)&nbsp;Currently, there is no commercial alternative that can maintain tire stability and performance with minimal impact on the environment. Research into alternatives requires accurately assessing 6PPD levels in rubber products and objectively determining whether alternative compounds offer equivalent stability and performance while having a reduced impact on the environment.&nbsp;This article describes using a pyrolysis gas chromatograph mass spectrometer (Py-GC-MS) system to measure 6PPD levels in tire rubber.<h4>Analysis Process&nbsp;</h4>ISO/TS 21396describes a method for determining the mass concentration of TRWP in soil and sediment that uses Py-GC-MS. Similar to this method, Py-GC-MS was used for the analysis; however, this article employs optimized analytical conditions. A schematic diagram of the analysis processisshown in Fig. 2. For more information on the analysis conditions and results from the evolved gas analysis (EGA-MS, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=42&amp;search=EGA%2FPY-3030D">EGA/PY-3030D Multi-Shot Pyrolyzer AS-1020E Auto-Shot Sampler</a>, Frontier Laboratories Ltd.) method described in Fig. 2, please see Application News No. 01-00901. The analysis conditions for the thermal desorption (TD)-GC/MS (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2020+NX">GCMS-QP2020 NX</a>) method used in this article are shown in Table 1. The thermal desorption temperature was chosen based on results obtained by the EGA-MS method.<h4>Qualitative Analysis of Additive&nbsp;</h4>The total ion current (TIC) chromatogram obtained from analyzing the tire rubber is shown in Fig. 4. A spectral library search was also performed using NIST-23 and Shimadzu’s Polymer Additives Library. The library search results for the peak that eluted at around 10.43 minutes are shown in Fig. 5. Based on the results from Shimadzu’s Polymer Additives Library, the peak was estimated to be the anti-degradant Nocrac 6C (a trade name for the chemical 6PPD).<h4>Conclusion&nbsp;</h4>This article presents an analysis of the additive 6PPD in tire rubber utilizing Py-GC-MS. Good results were obtained for calibration curve linearity, calibration standard repeatability, limit of quantification, and limit of detection. Shimadzu’s Polymer Additives Library was used to identify the additive.<h3>3. Thermo Fisher Scientific: Gas chromatography analyzers for the oil &amp; gas industry: upstream to downstream</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/br_003966_gc_analyzers_trace_1610_industrial_br003966_na_en_44ad1327c6.pdf">Full PDF for download</a></li></ul>Gas chromatography (GC) plays a central role in the oil and gas industry, providing high-accuracy, high-speed analysis of complex hydrocarbon mixtures from upstream exploration through midstream transport to downstream refining and distribution. Across this value chain, GC supports regulatory compliance, product quality control, custody transfer, and process optimization. As the industry adapts to decarbonization goals and stricter environmental regulations, robust and automated analytical solutions have become essential for monitoring hydrocarbons, impurities, and trace components under demanding 24/7 operational conditions.Thermo Scientific™ GC analyzers are engineered to meet these challenges, with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/486">TRACE™ 1610 GC</a> platform forming the backbone of a comprehensive portfolio of preconfigured and customizable systems. Its modular “Instant Connect” design enables rapid configuration of injectors, detectors, and valves, reducing downtime and simplifying maintenance. The platform supports multi-detector configurations—including FID, TCD, FPD, PDD, MS, and VUV—allowing a single analyzer to address a broad range of applications, from natural gas composition and BTU determination to sulfur species, fixed gases, and detailed hydrocarbon analysis .Dedicated GC analyzer configurations are available for specific industry needs, including natural gas and natural gas liquids (NGA/NGL), refinery gas analysis (RGA), light hydrocarbons (LPG), oxygenates, aromatics (BTEX), permanent gases, and high-purity gas streams. Advanced techniques such as GC-VUV further simplify complex analyses like PIONA group-type characterization of gasoline, delivering comprehensive compositional data in a single run while reducing calibration effort and cost per sample. These systems are designed to comply with major ASTM, ISO, GPA, DIN, EN, and UOP standards, ensuring global regulatory alignment .Complementing the hardware, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76">Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS)</a> provides an integrated informatics backbone for method control, data processing, reporting, and connectivity to LIMS platforms. This unified approach enhances data integrity, improves workflow efficiency, and enables real-time decision-making across refinery and gas processing operations. Together, Thermo Scientific GC analyzers and integrated software solutions deliver reliable, scalable, and future-ready analytics for the evolving oil and gas industry.

News from LabRulezGCMS Library - Week 51, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 29th December 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies and Shimadzu!<h3>1. Agilent Technologies: Fatty Acid Methyl Ester Analysis Using the Agilent 8850 GC System</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_fame_analysis_8850_gc_5994_8743en_agilent_2bed33b70d.pdf">Full PDF for download</a></li></ul>Fatty acids are components of fat and are an essential component of a healthy diet. They are found in a variety of foods, including oily fish, nuts, seeds, and vegetable oils. Fatty acids can be categorized as saturated fat, monounsaturated fat, polyunsaturated fat (including omega-3 and omega-6 fatty acids), and trans fat. Unsaturated fatty acids play a beneficial role in maintaining heart and vascular performance. However, artificial trans fatty acids, found in processed foods, should be strictly limited. The measurement of fatty acids in food plays an important role in:<ul><li>Nutritional assessment: Analyzing the omega-3/omega-6 ratio for dietary nutrient balance&nbsp;</li><li>Safety regulation: Identifying health risks such as trans fatty acids&nbsp;</li><li>Quality control: Detecting oil adulteration and process&nbsp;defects&nbsp;</li><li>R&amp;D support: Providing data support for the development of functional foods&nbsp;</li></ul>Techniques available for fatty acid determination in food include gas chromatography, liquid chromatography, and spectroscopic techniques. Each technique has its own advantages, disadvantages, and applicable scenarios. For example, liquid chromatography is suitable for analyzing heat-labile fatty acids, but it suffers from low resolution. Fluorescence spectroscopy is simple to operate but susceptible to matrix effects and poor specificity. Gas chromatography is the most used technique for fatty acid measurement. Fatty acids in food primarily exist in the form of triglycerides. Before analysis, triglycerides must be extracted, saponified, and methylated to the corresponding FAMEs. FAMEs are less polar and more volatile than fatty acids, making them suitable for analysis on gas chromatography platforms. Polar columns, such as those with polyethylene glycol and cyanopropyl siloxane stationary phases, are primarily used for the FAMEs analysis. Polyethylene glycol stationary phases are good at analyzing simple fatty acid mixtures and are not suitable for the analysis of cis-trans isomers. A column coated with high‑content cyanopropyl phase is recommended in different analytical methods for FAMEs analysis. However, an analysis based on this phase type usually takes more than 70 minutes to finish, and the retention time (RT) stability is not very good. The Agilent J&amp;W DB-FastFAME column features a modified cyanopropyl phase to accelerate the analysis and improve&nbsp;repeatability.&nbsp;Agilent offers DB-FastFAME columns in different dimensions; the 20-meter and 30-meter sizes can help improve the analysis speed for 37 representative FAMEs in food. Previous work demonstrated the analysis speed improvement using the conventional oven ramp rate on the two columns.1 With the launch of the Agilent 8850 GC, rapid temperature programming can be achieved in an air bath oven. This application note demonstrates the fast analysis of 37 FAMEs using nitrogen (N2 ) and helium (He) carrier gases on the 8850&nbsp;GC. Meanwhile, more complex FAME mixtures including 37&nbsp;FAMEs and 15 trans FAMEs were analyzed on a 90-meter DB-FastFAME column and a 100-meter Agilent J&amp;W HP-88 column to demonstrate the 8850 GC performance in cis/trans FAMEs and position isomers analysis.<h4>Experimental</h4><h5>Instrumentation&nbsp;</h5>An <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8850+GC">8850 GC system </a>equipped with a split/splitless inlet and a flame ionization detector (FID) was used for the analysis. An <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7650A">Agilent 7650A automatic liquid sampler (ALS)</a> (part&nbsp;number&nbsp;G4567A) was applied for sample injection.&nbsp;The methods performed on the four analytical columns using He and N2 carrier gases are listed in Table 1. The settings on inlet and detector temperatures are the same. The column head pressure and the oven temperature program were optimized based on the column type and carrier gas. Data were acquired and processed using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=OpenLab+CDS">Agilent OpenLab CDS</a> 2.8. The list of consumables used is shown in Table 2.<h4>Results and discussion&nbsp;</h4><h5>Fast analysis of 37 fatty acid methyl esters on short&nbsp;columns&nbsp;</h5>The 37 FAMEs mimic the fatty acid composition of many food samples, including most of the important saturated, monounsaturated, and polyunsaturated FAMEs. They are well‑established and widely accepted reference materials.&nbsp;A 20 m × 0.18 mm&nbsp;id, 0.2&nbsp;µm DB-FastFAME&nbsp;column and a 30&nbsp;m × 0.25 mm&nbsp;id, 0.25 µm DB-FastFAME&nbsp;column were used to demonstrate the high-speed analysis of 37 FAMEs on the 8850 GC. The oven ramp program and column flow rate were based on previous work and further optimized for the 8850 GC. Both He and N2 carrier gas-based methods were developed considering the increasing alternative carrier gas need and lab operation habits in different regions.&nbsp;The GC-FID chromatograms obtained on the two columns using different carrier gases are shown in Figures 1A, 1B, 2A, and 2B. All compounds were well resolved in the He methods. Three compound pairs that cannot be baseline-separated are shown in black squares. Among them, the peaks of c22:2n6 and c23:0 had the lowest resolution of 1.27 and 1.31 on the 20-meter and 30-meter columns, respectively, using the He method. The AOAC International Method 996.062 requires separating the FAME pair of adjacent peaks of C18:3 and C20:1 and the FAME trio of adjacent peaks of C22:1, C20:3, and C20:4 with a resolution of 1.0 or greater. This requirement is mainly recommended for high-content cyanopropyl 4 stationary phases. The six probe FAMEs eluted in different orders on the DB-FastFAME column, as marked by the yellow squares in the chromatogram. Their separation exceeded the resolution requirement easily due to the DB-FastFAME column's unique selectivity. The analysis times of the He methods were less than 7 minutes and 10 minutes on the two columns. The analysis speed was five to eight times faster than that of conventional methods.<h4>Conclusion&nbsp;</h4>A high-speed FAMEs analysis was achieved on an Agilent&nbsp;8850 GC system with excellent repeatability when running the FAMEs standards on specially engineered 20-meter and 30-meter Agilent J&amp;W DB-FastFAME columns under optimized oven programs. The analysis time is less than 10&nbsp;minutes using He carrier gas and less than 15&nbsp;minutes using N2 carrier gas, which is five to eight times faster than the conventional method. Peak resolutions obtained by the fast methods met the AOAC 996.06 standard requirements. The methods can help improve lab productivity significantly for routine analysis of 37 FAMEs.&nbsp;The analysis of 52 FAMEs on 90-meter DB-FastFAME and 100-meter Agilent J&amp;W HP-88 columns demonstrated that the 8850 GC can deliver performance equivalent to the Agilent 8890 GC system when analyzing complex fatty acids—including cis/trans fatty acids and positional isomers— in terms of resolution, area repeatability (&lt; 2.5%), and RT&nbsp;precision (&lt; 0.04%).<h3>2. Shimadzu: Quantification of 8 Disinfection Byproducts from Water by Liquid-Liquid Extraction and Gas Chromatography-MassSpectrometry</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_07_2507_en_52b8f30f0c.pdf">Full PDF for download</a></li></ul>Disinfectants such as chlorine and chloramine are widely used to eliminate microorganisms in water. However, these disinfectants react with naturally occurring chemical constituents, such as amino acids and other labile organic chemicals, forming a range of disinfection byproducts (DBPs). Chronic exposure to DBPs elevates the risk of developing cancer, liver damage, and decreased nervous system activity. Hence, accurate detection and quantification of DBPs in water is crucial.&nbsp;Although official recommended method for measuring DBPs is based on GC/ECD, GC/MS offers significant advantages in terms of simultaneous quantification and identification of both known and unknown compounds in a single analysis, providing comprehensive data on complex water samples. Unlike ECD, which has a limited dynamic range and can only detect electroactive compounds, MS offers a broader dynamic range, allowing the detection of analytes at varying concentrations. Additionally, GC/MS provides superior sensitivity, specificity, and structural information, making it the ideal method for detailed, high-precision analysis of disinfection byproducts and other water contaminants.<h4>2.2. Analytical Conditions</h4><h5>Preparation of instrument and analysis:</h5>The analytical method was established, and the instrument parameters are detailed in Table 1. Prior to the analysis, both the instrument and the column were conditioned. The “HighSensitivity” autotune mode of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2020+NX">GCMS-QP2020 NX</a> was used for the analysis. A standard solution containing 500 ppb of the target analytes, surrogate, and internal standard was injected using the MS fullscan mode to determine the retention times.The peaks corresponding to the target compounds, internal standard, and surrogate were identified using the NIST GC/MS library. Quantifier and qualifier ions for each analyte were selected, and a compound table was created accordingly and the same was used to develop a Scan/SIM method using the “Creation of Automatic Scan/SIM Table” (COAST) wizard within the GCMSsolutionTM software. The ultra-fast scanning capability (20,000 u/s) of the GCMS-QP2020 NX enables simultaneous acquisition of Scan and SIM events without compromising data quality.&nbsp;The newly created Scan/SIM method was used for the quantification and reporting of analytical data. Calibration standards were analyzed. The data and the calibration curve, using the internal standard method, were processed using LabSolutions InsightTM software which enables the analysis of large numbers of data simultaneously. Following this, both the unspiked and spiked (5 ppb) samples were analyzed and quantified.<h4>3. Result and Discussion</h4>A 6-point calibration curve was created for all target analytes. A good linear response, with correlation coefficients (r²) greater than 0.99, and accuracy within 80-120% was observed for all analytes. A signal-to-noise ratio (S/N) ≥ 10 was observed for all analytes at 5 ppb standard. The results are shown in Table 2.<h4>4. Conclusion</h4><ul><li>A highly sensitive GC/MS method was developed for 8 halogenated DBPs using Shimadzu GCMS-QP2020 NX following USEPA 551.1 sample preparation protocol.&nbsp;</li><li>Excellent linearity results and recovery results at 5.0 ppb concentration for all the analytes demonstrate that the analytical workflow is suitable for analyzing the listed DBPs in tap water using GC/MS technique at a low concentration level.</li></ul>

News from LabRulezGCMS Library - Week 53, 2025

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

News from LabRulezGCMS Library - Week 05, 2026

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

News from LabRulezGCMS Library - Week 08, 2026

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

News from LabRulezGCMS Library - Week 11, 2026

Hop (Humulus lupulus L.) Phytochemical Profiles as a Function of Growth Region by HPLC and GC-MS Analysis

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 23rd March 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies, Shimadzu, and Thermo Fisher Scientific and presentation by MDCW / Mount Royal University!<h3>1. Agilent Technologies: Analysis of Epichlorohydrin in Drinking Water</h3>Using the Tekmar Atomx XYZ P&amp;T, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890">Agilent 8890 GC</a>, and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977C">Agilent 5977C GC/MSD</a><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_epichlorohydrin_analysis_drinking_water_5994_8787en_agilent_9708db9a54.pdf">Full PDF for download</a></li></ul>The Tekmar Atomx XYZ is Teledyne LABS' most advanced P&amp;T system and is based on the time-tested Atomx instrument platform. The concentrator's efficient trap cooling design reduces sample cycle time by as much as 14% over the previous model. Combined with its 84-position soil and water autosampler, the result is more samples tested per 12-hour period. An innovative moisture control system (MCS) improves water vapor removal, thereby reducing peak interference and increasing GC column life span. In addition to other refinements, the Atomx XYZ incorporates a precision-machined valve manifold block to reduce potential leak sources and ensure the system is both reliable and robust.<h4>Conclusion&nbsp;</h4>This study demonstrates the capability of the Teledyne LABS Tekmar Atomx XYZ P&amp;T concentrator to process low‑level ECH in drinking water samples, with detection performed using an Agilent&nbsp;8890 GC and Agilent 5977C GC/MSD. The linearity of the calibration curve from 10 to 500&nbsp;ppt passed method requirements, including verification of the initial calibration curve. The 10&nbsp;ppt standard passed the lower limit of quantitation (LLOQ) within ± 50% of its true value, while all other calibration levels (&gt; LLOQ) passed within ± 30%. The blank following the highest point in the calibration curve passed method carryover requirements by remaining below half pf the LLOQ. Furthermore, the application proved robust during a long‑term study with 40 samples of a 30&nbsp;ppt ECH standard, achieving 4.3% precision and 92% accuracy of the&nbsp;recovery.<h3>2. MDCW / Mount Royal University: Selection, Optimization, and Validation of Thermal Desorption for analysis of VOCs and PAHs in Combustion Emissions</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_21_Marx_a94d951603.pdf">Full PDF for download</a></li></ul>The study focused on optimizing and validating thermal desorption (TD) as a sampling technique for volatile organic compounds (VOCs) and polycyclic aromatic hydrocarbons (PAHs) generated during combustion emissions, particularly from wildland fires. Smoke from these fires contains chemically complex mixtures of pollutants that can persist in the atmosphere and impact air quality over large geographic regions. Traditional sampling methods often emphasize particulate-bound compounds, while gas-phase organics—critical for understanding secondary organic aerosol formation—may be underrepresented. Thermal desorption was evaluated as a modern alternative capable of capturing both gas- and particle-phase compounds.To determine optimal sampling conditions, multiple sorbent tube configurations were compared using a mixture of 41 standard VOC and PAH compounds across various concentration levels. Performance metrics included analyte recovery, linearity, and detection limits. The results showed that multibed sorbent tubes significantly expanded analyte coverage and improved retention of combustion-related species. Additionally, factorial studies investigating conditioning and desorption parameters revealed that reducing temperature or duration did not improve artefact removal or analyte recovery, highlighting the importance of robust standardized conditions.The methodology was further evaluated through storage stability trials and real smoke emission sampling experiments. Samples demonstrated stable analyte retention for up to 35 days, supporting the suitability of TD sampling for field studies requiring delayed analysis. Validation experiments involving combustion of white spruce and analysis by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=6&amp;search=unity-xr">TD</a>-GC×GC-ToFMS produced highly detailed chromatographic data, identifying over 1 600 peaks per sample. Approximately 78 % of detected compounds fell within the C6–C14 range, while 19 of the 41 target analytes—including all PAHs and BTEX species—were successfully identified.Overall, the study confirmed that thermal desorption combined with comprehensive two-dimensional gas chromatography offers a powerful approach for characterizing complex combustion emissions. The optimized multibed sorbent strategy and validated sampling workflow enable more accurate profiling of smoke-derived VOCs and PAHs, providing valuable insights into air quality impacts and atmospheric chemistry processes associated with large-scale wildfires.<h3>3. Shimadzu: Analysis of Base Material and Additives in Tire Rubber</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00901_en_7200aa4e86.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>With a split FPD(S) and MS detector system, sulfur compounds can be detected selectively and with high sensitivity by the FPD detector while being qualitatively analyzed simultaneously by the MS detector, which significantly reduces the time and effort required.</li><li>The LabSolutions GCMS system makes it easy to configure settings for complex detector splitting.</li><li>With evolved gas analysis, polymer materials can be inferred from thermogram average mass spectra.</li></ul>The rubber used in tires for automobiles, bicycles, and other types of tires needs to have high resistance to the weather, heat, and wear for long periods of use. But as the rubber wears, it mixes with mineral particles from the road to generate “tire and road wear particles” (TRWP). TRWP matter is known to be a type of microplastic that causes marine plastic pollution.&nbsp;TRWP can contain a large variety of substances, such as vulcanizing accelerators, antioxidants (such as 6PPD), and plasticizers, and when released into the environment, TRWP substances can be harmful to ecosystems. Therefore, to reduce the quantity of TRWP matter released, it is important to increase the wear resistance of tires. To achieve this, an assessment of the base materials and additives in rubber is essential. Among additives, vulcanizing accelerators in particular improve the physical properties of tires by promoting sulfur vulcanization reactions.&nbsp;This article analyzes the base materials in tire rubber and additives, such as vulcanizing accelerators and other sulfur components.<h4>Analysis Process Flow</h4>A pyrolysis gas chromatograph mass spectrometer (Py-GC-MS) system was used, as specified in the international standard ISO/TS 21396. 1) Simply placing cut-up samples in a sample cup (Fig. 1) enables direct analysis of samples without pretreatment. The analytical process flow isindicated in Fig. 2.<ul><li>Pyrolyzer Unit: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=42&amp;search=EGA%2FPY-3030D">EGA/PY-3030D</a> Multi-Shot Pyrolyzer AS-1020E Auto-Shot Sampler (Frontier Laboratories Ltd.)</li><li>GC-MS: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2020+NX">GCMS-QP2020 NX</a></li></ul><h4>Inferring Polymers</h4>The evolved gas analysis (EGA-MS) method uses pyrolyzer (Py) and mass spectrometer (MS) units linked via a deactivated metal tube to heat samples to continuously increasing temperatures to generate gases from the samples, which are then detected by the MS.&nbsp;Samples (0.2 mg) of tire rubber fragments were placed in sample cups, with fiberglass wool inserted to prevent them from dropping, and then analyzed. Analysis conditions are indicated in Table 1.&nbsp;Thermograms obtained from that analysis are shown in Fig. 5. Originally, the horizontal axis of the thermogram is the time, but the heating temperature of the pyrolyzer can be calculated from the time. Peaks from polymer thermal decomposition products appear across the range of 370 to 500 °C. The average MS spectrum for that peak range and the results from inferring the polymer are shown in Fig. 6. Based on the F-Search EGA-MS Polymer Library (Frontier Laboratories Ltd.), the base material in the tire rubber was inferred to be styrene-butadiene rubber (SBR).&nbsp;Enlarging the thermogram shows a shoulder peak between 240 and 370 °C. Assuming that the shoulder peak originated from an additive, a thermal desorption analysis was carried out with the temperature range from 60 to 370 °C.<h4>Conclusion</h4>By combining FPD (S) that selectively and sensitively detects sulfur compounds, with Py-GC-MS, sulfur compounds in tire rubber were easily detected and simultaneously analyzed qualitatively by the MS.<h3>4. Thermo Fisher Scientific: Natural Gas Analysis in Hazardous Locations Using Raman Spectroscopy and Chemometric Modeling</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/marqmetrix_all_in_one_x_process_raman_analyzer_an1350_en_0ba9fa1165.pdf">Full PDF for download</a></li></ul>Natural gas is a fossil fuel composed primarily of methane, with smaller amounts of other hydrocarbons and impurities. Formed from ancient marine organisms under heat and pressure, natural gas is used as a combustion source for heating, electricity generation, vehicle fuel, and as a feedstock in chemical production. It is considered to be a cleanerburning alternative to other fossil fuels, contributing to reduced greenhouse gas emissions and air pollutants.&nbsp;The measurement and analysis of natural gas is a vital process that demands both speed and precision. Accurate natural gas measurements have far-reaching implications. They ensure revenue accuracy and facilitate fair financial transactions between producers, which is crucial for the economic integrity of the industry. Additionally, these measurements are essential for regulatory compliance, as they ensure adherence to stringent government and industrial standards.&nbsp;Operational efficiency of gas-using industries is also impacted by accurate natural gas measurement. By obtaining trustworthy and precise data, operators can optimize their processes, reduce waste, and ultimately enhance the overall efficiency of their operations. Furthermore, the measurement of natural gas plays a significant role in safety assurance and environmental protection. By accurately measuring methane content and detecting any irregularities in the natural gas stream, operators can address potential safety hazards and mitigate environmental issues, thereby promoting safer and more sustainable practices within the industry.&nbsp;Raman spectroscopy is an exceptionally powerful tool that can effectively address the myriad challenges associated with natural gas measurements. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2208">MarqMetrix All-In-One X Process Raman Analyzer</a>, when equipped with a flow cell or an immersion probe, offers the capability for non-invasive, in-situ measurements of natural gas directly within pipelines or process equipment. This innovative approach eliminates the need for traditional sampling systems or loops, thereby significantly reducing both the cost and operational disruptions typically associated with gas sampling.&nbsp;The versatility of the MarqMetrix All-In-One X analyzer is underscored by its ability to operate reliably across a wide range of conditions, performing consistently under varying temperature and pressure regimes. Moreover, the hazardous location configuration enhances the instrument’s capabilities even further, enabling the analyzer to function safely and effectively in some of the harshest and most hazardous operating environments. This robust configuration ensures that accurate and reliable natural gas measurements can be obtained even in extreme conditions, providing a critical tool for maintaining operational efficiency, safety, and regulatory&nbsp;compliance.<h4>Results&nbsp;</h4>The spectra produced, along with the reference data obtained from the certificates of analysis accompanying the gas cylinders, were imported into SOLO software. Using this dataset, Partial Least Squares (PLS) regression models were constructed for each of the hydrocarbons present in the natural gas standards. The models underwent rigorous optimization processes, focusing on variable selection, determination of latent variables, and appropriate preprocessing techniques.&nbsp;Variable selection emerged as a crucial step in the modeling process due to the significant covariance observed among the different hydrocarbons within the natural gas standards. By carefully selecting specific regions of the spectra that correspond exclusively to the hydrocarbons of interest in each model, the independence and relevance of the information utilized in the model were significantly enhanced. This careful selection process ensures that the PLS regression models are robust and accurate, leading to more reliable predictions and analyses of the hydrocarbon content in the natural gas&nbsp;samples.&nbsp;Given the lower concentration and relatively lower intensities of the butane and pentane peaks, a wider range of variables were selected to build the models.<h4>Conclusion&nbsp;</h4>In conclusion, the MarqMetrix All-In-One X Process Raman Analyzer along with a Thermo Scientific™ MarqMetrix™ FlowCell™ Sampling Optic, both developed to be operated in ATEX Zone 0, proved to be a highly effective solution for collecting and analyzing the spectra of natural gas standards. The resulting data produced robust PLS regression models for each hydrocarbon component. Careful variable selection and optimization enhanced the independence and relevance of the models, resulting in accurate and reliable predictions. The performance of these models demonstrated excellent linearity, resolution, and sensitivity across the range of natural gas components. This study underscores the viability and applicability of Raman spectroscopy, coupled with advanced chemometric modeling, for precise and reliable natural gas analysis in hazardous&nbsp;environments.

News from LabRulezGCMS Library - Week 13, 2026

This study investigates the chemical transformations of Eugenia uniflora essential oil under thermal conditions simulating gas chromatography analysis. GC–MS and NMR revealed that sesquiterpenes of the germacrene type, such as furanodiene, undergo sigmatropic rearrangement to form elemene-type compounds, including curzerene.Thermal treatment confirmed the formation of rearrangement products, indicating that bioactive properties historically attributed to curzerene may instead originate from furanodiene. The findings highlight the importance of combining complementary analytical techniques, such as NMR, to avoid misinterpretation of essential oil composition and bioactivity markers.<blockquote><h4>The original article</h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c08966">Is Curzerene Responsible for the Bioactive Properties of Eugenia uniflora? A Possible Misinterpretation of Bioactive Markers</a></h4>Vinicius Monteiro Schaffka, Raphaela Pereira Guaringue, Larissa Kozan, André Luis Kerek, Cássia Gonçalves Magalhães, Andersson Barison, and Barbara Celânia Fiorin*ACS Omega 2025, 10, 48, 59425–59434<a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acsomega.5c08966">https://doi.org/10.1021/acsomega.5c08966</a><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/">CC-BY 4.0</a></h6></blockquote>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.<div>Essential oils are a matrix of volatile and complex compounds characterized by strong odors and significant biological activity. In plants, they play a crucial role in defense against bacteria, viruses, and predators. <a href="javascript:void(0);">(1)</a> These biological properties support the extensive use of essential oils in the food, cosmetics, and pharmaceutical industries. <a href="javascript:void(0);">(1,2)</a> Eugenia uniflora L., commonly known as pitangueira, is a native Brazilian tree widely distributed across South America and is well-known for its bioactive essential oil. <a href="javascript:void(0);">(3)</a> Beyond the consumption of its fruits in natura or functional beverages, its leaves are used in infusions, decoctions, and tinctures to treat a variety of diseases, including diarrhea, stomach pain, worm infestations, fever, flu, hyperglycemia, hyperlipidemia, and hypertension. <a href="javascript:void(0);">(4,5)</a> Studies have shown that the composition of secondary metabolites in E. uniflora can vary depending on factors such as fruit color, ripening stage, <a href="javascript:void(0);">(6)</a> and seasonal influences. <a href="javascript:void(0);">(4,7−10)</a>The essential oil of E. uniflora is predominantly composed of sesquiterpenes, mainly germacrene-type, such as curzerene, germacrene B, germacrone, germacrene D, selina-1,3,7(11)-trien-8-one, and its oxide. Additionally, Elemene-type terpenes are also reported, including furanodiene, β-Elemene, and β-Elemenone. <a href="javascript:void(0);">(11−13)</a>However, those sesquiterpenes are well-documented for their thermal instability. When heat is applied, germacrene-type sesquiterpenes undergo a [3,3]-sigmatropic rearrangement, known as Cope rearrangement, converting into Elemene-type terpenes as presented in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c08966#fig1">Figure 1</a>. <a href="javascript:void(0);">(14−16)</a> This reaction is widely utilized as a synthetic pathway to produce Elemenes from germacrene precursors. <a href="javascript:void(0);">(17,18)</a><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_48_59425_59434_Figure_1_3_3_Sigmatropic_rearrangement_of_Germacrene_type_into_Elemene_type_250708e73c.jpg" alt="ACS Omega 2025, 10, 48, 59425–59434: Figure 1. [3,3]-Sigmatropic rearrangement of Germacrene-type into Elemene-type." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_48_59425_59434_Figure_1_3_3_Sigmatropic_rearrangement_of_Germacrene_type_into_Elemene_type_250708e73c.jpg 245w," sizes="100vw" width="3000" height="984">Gas chromatography (GC) is the main technique for characterizing essential oils, often coupled with mass spectrometry (GC-MS) and the retention index determination is used in the identification of the compounds through comparison with databases. <a href="javascript:void(0);">(21)</a> During GC analysis, essential oils are subjected to multiple heating stages. Initially, the sample is exposed to a high inlet temperature, typically around 240 °C, to ensure complete volatilization. It then enters the oven, where the temperature follows a programmed ramp starting at 60 °C, increasing at 3 °C/min, and reaching up to 240 °C. Finally, the sample encounters the elevated temperatures of the mass spectrometry (MS) detector’s source (250 °C) and interface (280 °C). Even in isocratic methods, where the oven temperature remains constant throughout the analysis, the inlet, source, and interface temperatures are maintained at high levels. Although the sample passes through these stages briefly, the elevated temperatures can induce Cope rearrangements in the essential oil, leading to possible changes in its composition. <a href="javascript:void(0);">(22,23)</a>The accurate characterization of the chemical composition of essential oils is crucial for any study employing them as a biological or analytical matrix, as it supports the interpretation of bioactivity, chemotaxonomic classification, and quality control of samples with economic value added. There are many studies attributing relevant biological activities, classifying specimens, and identifying phenotypic and genetic variations based on the chemical composition of the essential oil of E. uniflora L., which is usually characterized by GC-MS. <a href="javascript:void(0);">(8,9,11,24)</a> As an example of the study carried out by de Jesus, found acute anti-inflammatory effect of a rich in curzerene essential oil. <a href="javascript:void(0);">(5)</a> Similarly, Pascoal, reported distinct essential oil composition patterns among E. uniflora varieties─yellow, red, and purple fruits─primarily driven by variations in β-Elemene and germacrene D content. <a href="javascript:void(0);">(7)</a> These findings highlight metabolic changes during fruit ripening and underscore the influence of genetic diversity among E. uniflora varieties. Such exhibitions are unsatisfactory, because they sustain all their evidence in the characterization of their essential oil only by GC-MS analysis, without considering the Cope rearrangements, a fact that may change the outcome of their research. In this context Nuclear Magnetic Resonance (NMR) spectroscopy is a good alternative for essential oil analysis, since is a robust not destructive technique and able to detect and quantify simultaneously a wide range of metabolites that exceed the concentration of about 5–10 μM. <a href="javascript:void(0);">(25)</a>In order to highlight analytical concerns about the uses of only GC-MS data to access chemical relevance of E. uniflora essential oil studies, Nuclear Magnetic Resonance (NMR) spectroscopy was employed to evaluate the chemical composition of the essential oil of Eugenia uniflora L. before and after an induced thermal treatment, compared to GC-MS data. The findings provide insights into thermolabile compounds and highlight potential misidentifications of the bioactive properties associated with the sesquiterpenes of E. uniflora present in literature.<h4>2. Results and Discussion</h4><h5>2.1. Characterization of the Essential Oil</h5>Approximately 60 compounds, mostly sesquiterpenes (Germacrene B) and oxygenated sesquiterpenes (Germacrone), were visualized in the essential oil, with the 9 compounds having a relative area above 2%, as shown in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c08966#tbl1">Table 1</a>. The identified and most prevalent compounds align with those reported in the literature for E. uniflora. <a href="javascript:void(0);">(4,11,12)</a> It is possible to highlight the significant proportion of Germacrene-type sesquiterpenes compared to Elemene-type, except Curzerene, which was found in high concentration.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_48_59425_59434_Table_1_Main_Components_Identified_in_the_GC_MS_Analysis_of_the_Essential_Oil_from_Leaves_of_E_uniflora_9d59d96bef.jpg" alt="ACS Omega 2025, 10, 48, 59425–59434: Table 1. Main Components Identified in the GC–MS Analysis of the Essential Oil from Leaves of E. uniflora." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_48_59425_59434_Table_1_Main_Components_Identified_in_the_GC_MS_Analysis_of_the_Essential_Oil_from_Leaves_of_E_uniflora_9d59d96bef.jpg 218w," sizes="100vw" width="1076" height="771">The variation in the composition of the essential oil from E. uniflora leaves was described in literature, <a href="javascript:void(0);">(9)</a> who classified the specimens into three groups: Group I, containing yellow, dark red, and purple fruits, which showed high concentrations of germacrene B, germacrone, and atractylone; Group II, consisting of light red fruit samples, with high concentrations of curzerene, germacrene D, and germacrene A; and Group III, containing orange-red fruits, with a high content of selina-1,3,7(11)-trien-8-one and oxyselina-1,3,7(11)-trien-8-one. According to this classification, this essential oil fits into Group II.Chemical transformations of many components found in the E. uniflora leaves essential oil result from the heating conditions typically applied during GC–MS analysis, which occur through Cope Rearrangement. <a href="javascript:void(0);">(12,19)</a> Cope rearrangement is a stereospecific [3,3]-sigmatropic rearrangement that proceeds via the most stable chairlike transition state of 1,5-cyclodecadiene, from germacrene-type, to give 1,2-divinylcyclohexane, known as Elemene-type. <a href="javascript:void(0);">(14)</a> Some of the Cope rearrangements found in the E. uniflora essential oil are represented in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c08966#fig2">Figure 2</a>. <a href="javascript:void(0);">(11,22,23,26)</a><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_48_59425_59434_Figure_2_Cope_Rearrangements_of_sesquiterpenes_7fe9282d75.jpg" alt="ACS Omega 2025, 10, 48, 59425–59434: Figure 2. Cope Rearrangements of sesquiterpenes." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_48_59425_59434_Figure_2_Cope_Rearrangements_of_sesquiterpenes_7fe9282d75.jpg 150w," sizes="100vw" width="1500" height="1566">The same essential oil was analyzed using NMR spectroscopy to identify its components. Although NMR identification is considerably more labor-intensive than GC-MS analysis, it offers the advantage of being a cold and nondestructive technique. Since the sample does not undergo heating during the process, its stability is preserved throughout the analysis. The conformational differences observed in germacrene-type compounds further increase the spectrum’s complexity, leading to signal broadening in the 1H NMR spectra. <a href="javascript:void(0);">(27)</a>A substantial number of signals were observed in the 1H spectrum, with the majority concentrated between 0.5 and 3.0 ppm, a region characteristic of terpene compounds. The region between 4.5 and 6.0 ppm also exhibited numerous signals attributed to vinylic protons, observed in sesquiterpenes (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsomega.5c08966#fig3">Figure 3</a>).<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_Omega_2025_10_48_59425_59434_Figure_3_1_H_NMR_400_13_M_Hz_CD_Cl3_spectra_of_the_raw_essential_oil_a46e04574e.jpg" alt="ACS Omega 2025, 10, 48, 59425–59434: Figure 3. 1H NMR (400.13 MHz, CDCl3) spectra of the raw essential oil." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_Omega_2025_10_48_59425_59434_Figure_3_1_H_NMR_400_13_M_Hz_CD_Cl3_spectra_of_the_raw_essential_oil_a46e04574e.jpg 245w," sizes="100vw" width="4175" height="2376"><h4>3. Conclusions</h4>The investigation of the composition of E. uniflora essential oil by NMR and the thermal treatment performed proved that curzerene may come from furanodiene due to the transformations that occur in the matrix during gas chromatographic analysis. These findings have significant implications for the investigation into the chemical composition of E. uniflora essential oil and the evaluation of the biological properties of its sesquiterpenes. Since each technique has advantages and disadvantages, combining GC-MS analysis with a cold technique, such as NMR is important to guarantee the proper identification of the compound genuinely responsible for any property assigned to E. uniflora essential oil.<h4>4. Materials and Methods</h4><h5>4.2. GC-MS Analysis</h5>The gas chromatographic analyses of the essential oils (10 mg mL–1) were performed using a gas chromatography–mass spectrometry system (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=QP2020">Shimadzu GCMS-QP2020 Gas Chromatograph</a>). The analyses were conducted on an RTx-5MS capillary column (30 m × 0.25 mm internal diameter × 0.25 μm film thickness), and the analytical conditions were as follows: split ratio of 1/10, injector temperature at 250 °C, ion source at 250 °C, and interface at 280 °C. The temperature program of the oven was set at 60 °C for 5 min, followed by a temperature ramp of 3 °C/min until reaching the final temperature of 240 °C. The components were identified based on the relative retention index, calculated for each constituent by injecting a series of n-alkane standards (C8–C20) under the same sample conditions and comparing them with tabulated values as well as by comparing the obtained mass spectra with the mass spectra database and literature comparisons. <a href="javascript:void(0);">(21)</a><h5>4.4. NMR Analysis</h5>All NMR spectra were acquired at 298 K on a Bruker AVANCE III spectrometer operating at 9.4 T, observing 1H at 400.13 MHz and 13C at 100.13 MHz, equipped with a broadband probe. The essential oil was solubilized in CDCl3 with 0.05% of tetramethylsilane (TMS) used as an internal reference. The 1H NMR spectra were recorded utilizing 65k time-domain data points across a spectral width of 20.00 ppm. This setup provided a digital resolution of 0.24 Hz. The data were obtained using a single 30° excitation pulse, with a relaxation delay of 1.0 s, and an average of 128 scans. The 13C NMR spectra was carried out using the zgpg30 pulse sequence utilizing 64k time-domain data points across a spectral width of 238 ppm, with an acquisition time of 1.3631 s, providing a digital resolution of 0.7434 Hz and a relaxation delay of 2.0s and an average of 2k scans.The HSQC and HMBC experiments were conducted using standard pulse sequences from the Bruker library, with modifications to the number of acquired points to improve resolution, 2048 in F2 and 512 in F1.</div>

Is Curzerene Responsible for the Bioactive Properties of Eugenia uniflora? A Possible Misinterpretation of Bioactive Markers

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 6th April 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies, BaySpec, poster by MDCW / William &amp; Mary and brochure by Shimadzu!<h3>1. Agilent Technologies: High-Throughput BTEX Analysis in Nail Products by SPME and GC/TQ</h3>Minimal steps, maximum precision<ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_btex_analysis_nail_products_spme_gctq_5994_9009en_agilent_24ef32dd13.pdf">Full PDF for download</a></li></ul>BTEX compounds—benzene, toluene, ethylbenzene, and xylenes—are volatile aromatic hydrocarbons widely used as solvents in industrial and consumer products. Among these, toluene is the most prevalent in nail polish formulations, where it serves as a solvent to dissolve resins and pigments, ensuring smooth application, uniform color dispersion, and rapid drying. Historically, these properties made toluene a preferred ingredient in nail coatings, including traditional polishes, gel formulations, and nail art products. However, its inclusion presents challenges for regulatory compliance and product reformulation. In response to these challenges, the California Department of Toxic Substances Control (DTSC) has listed nail products containing toluene as Priority Products under the Safer Consumer Products Regulations.1 Manufacturers selling such products in California must submit a Priority Product Notification and conduct an Alternative Analysis if toluene concentrations exceed the 100-ppm threshold.&nbsp;To support compliance and ensure accurate monitoring of BTEX levels in nail products, robust analytical methods are essential. Solid phase microextraction (SPME) coupled with gas chromatography/triple quadrupole mass spectrometry (GC/TQ) has emerged as a preferred approach for volatile organic compound analysis due to its solvent-free sample preparation, high sensitivity, and compatibility with complex cosmetic matrices. The 8890 GC with 7000 Series GC/TQ offers enhanced detection capabilities through dynamic multiple reaction monitoring (dMRM), enabling precise quantification of BTEX compounds at trace levels, below regulatory thresholds. This platform provides the analytical rigor required for method validation, including limits of detection, recovery, and precision, ensuring compliance with California's stringent performance criteria and supporting industry efforts toward improving consumer product&nbsp;quality.&nbsp;<h4>Experimental</h4><h5>GC/TQ analysis&nbsp;</h5>Analyses were performed on an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC">8890 GC</a> coupled to a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7000">7000 Series GC/TQ </a>equipped with an EI extractor ion source (Figure 2). The instrument operating parameters are listed in Table 2. The system was operated in splitless mode with an inlet temperature of 200&nbsp;°C, a purge flow of 3 mL/min, and a purge flow to split vent of 50&nbsp;mL/min at 2&nbsp;minutes. Carrier gas was helium at a constant flow of 0.693&nbsp;mL/min with a total flow of 53.7 mL/min. The chromatographic separation was accomplished on an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=DB-624+Ultra+Inert+column">Agilent J&amp;W DB-624 Ultra Inert column</a> (20&nbsp;m × 0.18&nbsp;mm, 1&nbsp;µm, part number 121-1324UI). The oven program started at 40&nbsp;°C (hold 2&nbsp;minutes), ramped at 35&nbsp;°C/min to 160&nbsp;°C, and held for 2.58&nbsp;minutes, giving a total run time of 8.0&nbsp;minutes. The transfer line was maintained at 230&nbsp;°C, with the ion source at 230&nbsp;°C and quadrupoles at 150&nbsp;°C.<h4>Conclusion&nbsp;</h4>A rapid, high-throughput headspace‑SPME GC/TQ method was developed for quantifying BTEX in nail product matrices, using a 100-µm PDMS Agilent Smart SPME fiber on an Agilent 8890 GC with Agilent 7000 Series GC/TQ. The method provides solvent-free extraction, 8-minute chromatographic runs, and an ~11-minute total cycle time, enabling high-throughput analysis with robust selectivity in dMRM mode. Quality control results demonstrated mean recoveries of 100 to 107% with RSDs ≤ 8%, meeting method acceptance criteria for compliance-focused testing for toluene. Integration of Smart SPME automation and the intelligent features of the 8890 GC and 7000 Series GC/TQ allows a practical, defensible solution for routine laboratories monitoring BTEX in nail products. Calibration performance showed high linearity and low variance across the working ranges, with all compounds meeting initial calibration criteria via R² ≥ 0.995 or average RF RSD ≤ 20%. Combined with the short cycle time and automated fiber tracking, this workflow is ideally suited for routine compliance testing of BTEX in nail products using the 8890 GC and 7000&nbsp;Series GC/TQ.<h3>2. BaySpec: Detection of residual pesticides on fruits and vegetables using Portability miniature mass s pectrometer</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_Portability_Pesticides_4a7311fb3e.pdf">Full PDF for download</a></li></ul>Pesticides are used in a variety of different ways during the production of food. Ranging from preventing crop damage by insects, rodents and molds during growth to prolonging storage of food after harvest. Because of the frequent usage, the residual pesticides are often found in many agricultural products and their monitoring and control is an important step in achieving and maintaining overall food safety in the modern society.&nbsp;Mass spectrometry in connection with different separation techniques currently represents the main analytical approach for determination of residual pesticides in food. Traditionally, samples need to be collected and send to a laboratory for analysis using techniques such as GC-MS or HPLC-MS, which are costly and time-consuming. In addition, the conventional mass spectrometry usually requires laborious sample pretreatment, which does not allow for immediate in-situ sample determination. Presented here is an application of Thermal Desorption ElectroSpray Ionization (TD-ESI) for pesticide screening coupled to a portable mass spectrometer.&nbsp;TD-ESI is a mass spectrometry technique from the family of ambient ionization methods that utilizes very simple probing of different surfaces with no or limited sample pretreatment while it is still noted for its selective and sensitive detection capabilities. In TD-ESI a solid surface or a liquid sample is touched by a simple metallic probe that absorbs the analyte. The probe is then inserted into a heated tube and the desorbed analyte is carried by gas flow into an orthogonally mounted electrospray. The electrospraty plume extracts the analyte and further ionization and ion introduction follows the conventional electrospray mechanism.&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2219">Bayspec’s Portability mass spectrometer</a> is less than 10kg highly portable and battery operated linear ion trap mass spectrometer with atmospheric pressure inlet (API). When TD-ESI is combined with PortabilityTM then it is possible to perform fast in-field detection of analytes including residual pesticides, directly of the surfaces of fresh food products without any sample pre-treatment. Fast pesticide screening by Portability mass spectrometer can immediately disclose fake organic food products as well as to discover elevated levels of residual pesticides.&nbsp;TD-ESI-MS was used to rapidly screen residual pesticides on the surfaces of different fruits and vegetables. Direct sampling probe was used to introduce analytes from surfaces of unprocessed samples. Due to short analysis times (1-5s a sample), the technique allows for fast screening for applications in food and environmental safety. MS (as well as MS/MS) analyses can be performed on surface-residual pesticides at ppm and sub-ppm levels. The miniaturized TD-ESI ion source compatible with Portability is available from BaySpec. This ion source mounts on the Portability front inlet and does not require any additional support, external power or gases. The simple intuitive software interface is operated by touch screen and makes the instrument extremely easy to control. The external TD-ESI source is fully integrated into the main software environment and the hyphenated system is thus very user-friendly, does not require excessive training and can be operated by persons with no previous mass spectrometry experiences.<h3>3. MDCW / William &amp; Mary: Volatile Characterization of American Foulbrood Disease Using Comprehensive Two-Dimensional Gas Chromatography</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_15_Christensen_39521e3391.pdf">Full PDF for download</a></li></ul>American foulbrood (AFB) is a deadly disease spread by Paenibacillus larvae bacterial spores, targeting the brood stage of Apis mellifera honey bees. Broods perish in a matter of days after exposure to the spores, forming infected colloidal scales in the hive that adult bees cannot remove. 1,2 The spores are extremely persistent and resistant to typical treatment methods, which standardized the immediate euthanasia of bees and destruction of the hive and associated equipment by burning. 3 In an effort to expedite identification of the spores, scent-detection dogs have been trained for use in apiaries. Furthermore, gammairradiation has been tested as a proposed treatment method as it would offer a nondestructive alternative to sterilization.The goals of this study were to use comprehensive two-dimensional gas chromatography – time-of-flight mass spectrometry (GC×GC-TOFMS) to characterize the volatiles associated with AFB disease for understanding scent detection and to measure the effectiveness of gamma-irradiation in sterilizing these volatiles.<h4>Methods</h4>Samples included blanks, material from healthy comb, aged unsterilized diseased scales, fresh unsterilized diseased scales, and diseased scales sterilized with the proposed treatment method of gamma-irradiation. These samples were stored in headspace vials (Figure 3) in the freezer when not in use. No sample preparation was required before injection with solidphase microextraction using the LPAL-3 (CTC Analytics).Analysis was performed using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/37">Pegasus BT4D</a> (LECO Corporation) according to the parameters described below in Table 1. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41">ChromaTOF software</a> (LECO Corporation) was used to analyze the chromatographic data. Preliminary identifications were assigned to peaks using a minimum signal to noise of 200 and a minimum stick count of 3.<h4>Conclusions</h4>GC×GC-TOFMS can be used to distinguish the volatile profiles of A. mellifera samples at different stages of infection with AFB disease. Future Directions for Research:&nbsp;<ul><li>Discrimination of volatiles specific to AFB from non-specific volatiles&nbsp;</li><li>Characterization of AFB-specific volatiles for scent-detection purposes&nbsp;</li><li>Measurement of gamma-irradiation sterilization success in removing AFB volatiles</li></ul><h3>4. Shimadzu: Screening System for Phthalate Esters, Brominated Flame Retardants and Other Regulated Substances Py-Screener Ver.3</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c146_e507_45f041b0d7.pdf">Full PDF for download</a></li></ul>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Py-Screener">Py-Screener™ Ver. 3</a> can screen for 7 types of phthalate esters and brominated flame retardants (PBBs, PBDEs), including substances regulated under the RoHS Directive. In addition, it can also test for PIP (3:1), which is regulated under the US TSCA (Toxic Substances Control Act), as well as UV-328, Dechlorane Plus (DP), and short-chain chlorinated paraffins (SCCPs) and medium-chain chlorinated paraffins (MCCPs), which are regulated under the Stockholm Convention (POPs Convention) on Persistent Organic Pollutants (POPs). These regulated compounds, thermally extracted from the sample by Pyrolysis-GC-MS (Py-GC-MS), are selectively detected and quantified. Py-Screener Ver. 3 consists of dedicated software for easy screening, special standard samples, and a sampling tool kit, making it simple to operate even for first-time users.<h5>Shimadzu Corporation’s Solutions for Complying with International Hazardous Substance Regulations</h5>When manufacturing and exporting products, it is necessary to comply with the chemical and hazardous substance regulations established by each country. Products contain many parts and use various materials and substances. Therefore, it is the manufacturer’s responsibility to manage the entire supply chain to ensure that harmful substances are not contained. Shimadzu Corporation provides analysis solutions that comply with these regulations.<h5>Applicable Systems and Software</h5><ul><li>GC-MS: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2020+NX">GCMS-QP™2020 NX</a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2020">GCMS-QP2020,</a> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2010+Ultra">GCMS-QP2010 Ultra</a></li><li>Pyrolyzer: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=42&amp;search=EGA%2FPY-3030D">EGA/PY-3030D</a> multi-shot pyrolyzer</li><li>Autosampler: AS-2020E, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=42&amp;search=AS-1020E">AS-1020E auto-shot sampler&nbsp;</a></li><li>GC-MS Workstation: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMSsolution">GCMSsolution</a>™ (Ver. 4.60SP2 or later) + <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=LabSolutions+Insight">LabSolutions Insight</a>™ (Ver. 5.0 or later)</li><li>Py Workstation: EGA-PY3030 program (Ver. 1.54 or later)</li></ul>

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News from LabRulezGCMS Library - Week 15, 2026

Is Curzerene Responsible for the Bioactive Properties of Eugenia uniflora? A Possible Misinterpretation of Bioactive Markers

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