Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 7th April 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 brochures by Agilent Technologies, Shimadzu, application note by Thermo Fisher Scientific and poster by University of Liège / MDCW!<h3>1. Agilent Technologies: Ensure Composition, Purity, and Calorific Value</h3>Agilent natural gas analyzers<ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/br_nga_gc_analyzer_5994_8260en_agilent_1_6070086f28.pdf">Full PDF for download</a></li></ul><h4>Produce Accurate, Reliable Data and Maximize Product Quality</h4>Before it can be sold, natural gas must meet specifications for calorific value and purity. Accordingly, collection, processing, transmitting, and distribution require an array of analytical capabilities.<h5>Confidently measure permanent gases and hydrocarbon content with Agilent natural gas analyzers&nbsp;</h5>Agilent natural gas analyzers (NGAs) are based on <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC">Agilent 8890 GC</a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=990+micro+GC">990 Micro GC systems</a>. Each is factory configured and chemically tested to deliver the results you need, fast, while saving you precious startup time.&nbsp;Choose from standard or extended configurations, or for a solution for sour natural gas. Our ability to create custom analyzers, along with specialty hardware and modifications, allows you to customize a natural gas analyzer for your specific needs.<h4>Agilent 8890 fast GC&nbsp;</h4><h5>Precisely analyze natural gas&nbsp;</h5>Separating complex mixtures of hydrocarbons and permanent gases (oxygen, nitrogen, and carbon dioxide) can be difficult on a single-channel GC. The Agilent 8890 natural gas analyzer is configured for one or two channels and conforms to ASTM D1945, GPA 2261, and GPA 2286 methods.&nbsp;<ul><li>A second thermal conductivity detector (TCD) channel improves hydrogen detection and linearity.&nbsp;</li><li>Optional flame ionization detector (FID) enables low-level hydrocarbon analysis.&nbsp;</li><li>Customized reporting simplifies data review and processing. OpenLab CDS reporting provides calculations in mole, weight, or volume percentages, and calculated heat content. It also offers the calorific value add-on.</li></ul><h4>Agilent 990 Micro GC&nbsp;</h4><h5>Precision results in seconds&nbsp;</h5>Agilent 990 Micro GC natural gas analyzers cover key GPA, ISO, and GB/T methods, and they provide accurate compositional data and calculated physical properties. Their small size and mobility make them ideal for labs, pilot plants, and field work—delivering the information you need anytime, anywhere.&nbsp;<ul><li>Ready-to-go configuration and methods include proven hardware and software.&nbsp;</li><li>Reporting is based on standardized GPA, ISO, and GB/T calculation methods.</li><li>Options include sample pressure reduction, filtering, and automated stream selection valves.&nbsp;</li><li>Natural gas odorant monitoring is available in an optional extra channel.&nbsp;</li></ul>Additionally, the Agilent 990 Micro GC PRO is designed for online process environments and features onboard data collection, integration, and result generation.&nbsp;<ul><li>Control processes by directing automatic user-defined information to an external system.&nbsp;</li><li>Eliminate the need for an external computer by using our onboard setup feature.&nbsp;</li><li>Meet industry standards with confidence through various communication protocols, such as Modbus, FTP, and 4-20 mA.&nbsp;</li><li>Enable online monitoring of calorific value and odorants (such as THT or DMS).&nbsp;</li><li>Deliver quick analysis of dissolved gases in mud-logging during drilling operations that need to be constantly monitored.</li></ul><h4>Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=GC+gasifier+">GC gasifier&nbsp;</a></h4><h5>Reliably introduce liquefied gas into your GC&nbsp;</h5>The Agilent GC gasifier accessory safely controls the transition of liquefied gas to a gaseous state without discrimination or adsorption due to its inert flow path. So you can feel confident that the sample in the line is the sample being analyzed.<ul><li>Samples are delivered to the GC system under constant flow and pressure.&nbsp;</li><li>Control and monitor the gasifier with ease through the GC user interface.&nbsp;</li><li>Seamlessly switch between two samples—or one sample plus a calibration standard or purge gas.&nbsp;</li><li>Purge N2 gas without the need to disconnect samples</li></ul><h4>Capture, analyze, and share data: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=OpenLab+CDS">OpenLab CDS</a> works the way you do&nbsp;</h4>OpenLab CDS is a chromatography data system that combines productivity, usability, and the highest level of data integrity. With a single user interface, you can control your Agilent LC, GC, Micro GC, single quadrupole LC/MS, and GC/MS, as well as other vendors’ instruments in the lab, to streamline training and support. Built-in tools provide time-saving steps in analysis, interpretation, and reporting workflows while technical controls ensure work quality, effective records management, and enhanced data security.&nbsp;Reporting for natural gas analyzers (as with refinery gas analyzers) can be done through OpenLab CDS with the built-in NGA/RGA reporting tool or through Diablo Analytical, which can take data from OpenLab CDS, ChemStation or EZChrom.&nbsp;The OpenLab reporting feature for NGA lets you generate a custom calculation file, a constants file, and a report template for conditions defined in GPA, ASTM, or ISO standards. FPS (foot-pound-second)- based calculations (Btu) are used by GPA, ASTM, and other organizations in the United States. Metric-based calculations (meter-kilogram-second) are used for reporting natural gas composition and physical property calculations according to ISO 6976 for EU and GB/T 11062 for China.&nbsp;Note: Optionally the 990 Micro GC can be equipped with a PRO license. In this process-mode, which is usually highly automated and unattended, the instrument communicates compositional analysis results and calculated physical property data directly to a remote process computer. All data is handled on board (via browser-based access), and this does not require OpenLab CDS.<h3>2. University of Liège / MDCW: Identification of Antifungal Volatile Organic Compounds (Vocs) from Streptomyces Scabiei 87-22 Using GC×GC-TOF-MS</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Poster_Djulia_Bensaada_workshop_a1731538ea.pdf">Full PDF for download</a></li></ul>Plant pathogens harm food production and the economy, while synthetic fungicides pose health and environmental risks, emphasizing the need for new alternatives.1 Streptomyces scabiei 87-22 shows promises by producing antifungal volatile organic compounds (VOCs). This study seeks to identify the VOCs responsible for their antifungal effects, with the aim to open the door to developing environmentally friendly biofungicides.2&nbsp;<h4>Study inception</h4><ul><li>In vitro experiments were conducted on Alternaria solani, Gibberella zeae, and Penicillium sp. NS1 to assess antifungal activity</li><li>Different growth conditions of Streptomyces scabiei 87-22 were evaluated</li><li>using five culture media: MHB, LB, TSB, ISP2, and ISP6&nbsp;</li></ul><h4>Results and discussion</h4><ul><li>20 Antifungal VOCs were identified in the different samples</li><li>VOCs production depend on the culture media</li><li>Some VOCs are inherent to the culture media</li><li>Non targeted approach is needed&nbsp;</li></ul><h4>Conclusion and perspectives</h4>Out of 25 identified VOCs, 4 demonstrated antifungal activity in vitro, highlighting their potential as antifungal agents. Conduct antifungal tests on the remaining 19 VOCs to fully evaluate their potential. Extend the study to a broader range of bacterial strains to assess their antimicrobial spectrum.<h3>3. Shimadzu: Gas Chromatography Detector VGA-100 / VGA-101</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c180_e102_01f0ccb1eb.pdf">Full PDF for download</a></li></ul><h4>Meet the alternative with a vacuum ultraviolet (VUV) detector for Gas Chromatography</h4>The VUV (Vacuum Ultraviolet) detector is designed to collect absorption spectrum of compounds eluted from GC in the wavelength range of 120 nm to 240 nm (vacuum ultraviolet region). It consists of a deuterium lamp, ¬ow cell, grating device and detection device. Hydrocarbons, such as fuels, have strong absorption in the range of 115 nm to 185 nm (due to σ→σ* and π→→π* transitions), making the VUV detector an ideal choice for fuel analysis.&nbsp;The VUV wavelength region is typically characterized by signi cant background absorption. Traditionally, very high-energy photons generated by a synchrotron facilities were used to obtain VUV spectrum. The VGA-100/101 VUV detector minimizes background absorption to an exceptional degree, enabling easy acquisition of VUV spectrum.<h4>Gas Chromatography detection in a whole new light</h4><h5>VUV analysis system offers…</h5><ul><li>Identification performance specialized for fuel analysis<ul><li>Full spectrum detection in the vacuum ultraviolet (VUV) wavelength region enhances identi cation performance of various hydrocarbon compounds.</li><li>Excellent oven performance of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=nexis+gc-2030">Nexis GC-2030</a> improves identi cation performance with retention index.</li></ul></li><li>Full compliance with ASTM official standards<ul><li>A multi-method architecture that allows testing of different fuels and methods on the same analyzer without changing hardware.</li><li>Dedicated spectral libraries for various ASTM of cial methods</li></ul></li><li>Enhanced analysis support functions<ul><li>Time Interval Deconvolution™ (TID™) to easily deconvolve co-eluting analytes.</li><li>Push-button, automated data analysis and reporting using VUV Analyze™ Software.</li></ul></li></ul><h3>4. Thermo Fisher Scientific: Thermo Scientific Orbitrap GC-MS HRAM Flavor and Fragrances Library</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_003097_gc_orbitrap_gc_ms_flavor_fragrances_ps003097_na_en_206f484d12.pdf">Full PDF for download</a></li></ul>Flavors and fragrances analysis aims to give a comprehensive characterization of samples to determine their origin (natural or synthetic), assess their quality, ensure product consistency, and comply with regulatory standards. This analysis is crucial for industries such as food, beverages, cosmetics, and perfumery to develop and maintain consistent product formulations and control. With such a high number of possible compounds, a library is an essential tool to support compound identification within a fast time frame. The Thermo Scientific™ Orbitrap™ GC-MS Flavor and Fragrances Library is a high-resolution, accuratemass (HRAM) spectral library for electron ionization (EI) GC-MS. It contains 411 compounds, which cover over eleven different chemical classes.When used in combination with powerful Orbitrap technology and data processing tools such as <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1759">Thermo Scientific™ Compound Discoverer™ software</a>, accurate flavor and fragrance identification can be quickly achieved. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472">Thermo Scientific™ Orbitrap Exploris™ GC mass spectrometers </a>provide unique advantages for flavor and flagrance analysis over alternative instrumental techniques. Orbitrap technology allows analytical chemists to gain data certainty and achieve unprecedented selectivity using a full-scan acquisition, enabling:&nbsp;<ul><li>The targeting of an unlimited number of analytes down to triple quadrupole level detection limits&nbsp;</li><li>Identification of unknowns driven by spectral matching and sub-ppm mass accuracies&nbsp;</li><li>Retrospective screening of compounds not known to be of interest at time of acquisition</li></ul>Furthermore, the consistent sub-ppm mass accuracy delivered by the system, regardless of peak intensity, allows for confident targeting of compounds within narrow mass accuracy windows. The Thermo Scientific Orbitrap GC-MS Flavor and Fragrances Library enables a rapid and customizable set-up of a screening method, which allows users to quickly implement this powerful technology. Included in this Library are:&nbsp;<ul><li>High-resolution, accurate-mass spectral library acquired at 60,000 mass resolving power (FWHM m/z 200)&nbsp;</li><li>Spectra for 411 flavor compounds across eleven categories refined and curated with elemental composition of each EI fragment verified (Figure 1)&nbsp;</li><li>Compound information list showing chemical categories, odors, rendition index values, and GC column types used&nbsp;</li><li>Kovats retention index entries&nbsp;</li><li>Can be used in combination with existing unit mass libraries.&nbsp;</li></ul>The Orbitrap GC-MS Flavor and Fragrances Library can be used to quickly apply the theoretical masses for each analyte into a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/77">Thermo Scientific™ TraceFinder™ software</a> fullscan screening or quantitation processing method. Also included for each compound is an accurate mass reference spectrum acquired on an Orbitrap GC-MS system at 60,000 resolving power.&nbsp;This spectral library can be used as a standalone reference or in conjunction with the unknowns screening functionality of Compound Discoverer software (Figures 2 and 3) or TraceFinder software. Each software utilizes chromatographic deconvolution followed by accurate mass spectral library search to identify untargeted compounds.

News from LabRulezGCMS Library - Week 15, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 14th April 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 poster by University of Copenhagen / MDCW!<h3>1. Agilent Technologies: Purity Analysis of N-Methyl Pyrrolidone (NMP) Using an Agilent 8850 GC</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_purity_analysis_n_methyl_pyrrolidone_8850_gc_5994_8126en_agilent_96dd34f254.pdf">Full PDF for download</a></li></ul>Analysis of organic solvents to determine purity is a ubiquitous laboratory task that is well suited for gas chromatography (GC). Purity testing is an important part of process monitoring and provides key quality metrics for both feedstocks and products, as well as insights into process conditions by monitoring intermediate streams. The highly used solvent NMP is critical in many industries, including semiconductors, coatings and adhesives, and pharmaceuticals. The role of NMP in the manufacturing process of lithium-ion batteries (LiB) is of particular interest.&nbsp;Within the LiB market, NMP is analyzed at both gross and residual levels. NMP as a bulk solvent must be screened for impurities that may affect performance in the battery electrodes. High-purity NMP is employed in creating the slurry applied to the LiB electrodes.1 NMP dissolves the polymer binder to apply the slurry to the aluminum foils, resulting in a functional LiB cathode. Once that application is complete, the residual NMP is removed, usually by drying the product. Two quantitation approaches to determine residual NMP on electrodes have been evaluated in recent publications.2,3 To complement the detection of low-level NMP, this work will address the purity of NMP as a starting material.&nbsp;NMP is a highly polar, aprotic solvent with a relatively high boiling point of more than 200 °C. The pure solvent has an alkaline pH of approximately 10, and has a low vapor pressure and high flash point, which lend to its success in manufacturing environments. These characteristics also make NMP more challenging than volatile solvents when performing routine solvent purity analysis on GC systems. Solvents with lower volatility and higher viscosity require more frequent maintenance of both the GC inlet and the autosampler to manage carryover and repeatability quality checks.&nbsp;The two most common impurities associated with NMP are N-methyl succinimide (NMS) and 2-pyrrolidinone (2PYR), shown in Figure 1. As there are similarities in both structure and properties among the three compounds, a robust purity analysis using an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8850+GC">8850 GC</a> can be achieved by combining appropriate column selection, GC oven temperature control, and inlet pressure control. While this would be more simply executed if all compounds were present at the same level, the expectation of a solvent purity method is that it can perform well for both the highest and lowest concentration in the mixture.<h4>Experimental&nbsp;</h4>All data were generated on an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8850+GC">8850 GC</a> with a split/splitless (S/SL) inlet and flame ionization detector (FID). Samples were introduced to the GC inlet using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7650+ALS">7650 ALS</a>. Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=OpenLab+CDS+software">OpenLab CDS software</a>, version 2.7, was used for data acquisition and analysis. The GC flow path is shown in Figure 2, and the method conditions are provided in Table 1. NMP samples were sourced from both a commercial vendor and a customer production facility, summarized in Table 2.<h4>Results and discussion</h4>The separation study evaluated several columns, and the following criteria were considered: void time, peak shape, baseline consistency, and operating temperature range. While NMP, NMS, and 2PYR all have boiling points exceeding 200 °C, they also have favorable vapor pressures to consider higher polarity columns with lower maximum operating temperatures. Single-component standards were prepared at 0.1% (w/v) from neat NMS (≥ 99%) and 2PYR (99%), both from Sigma-Aldrich (Milwaukee, WI, U.S.) to verify compound identification and retention time.&nbsp;The evaluated column chemistries included polyethylene-glycol-based columns such as the Agilent DB-WAX Ultra Inert (UI) and Agilent J&amp;W HP-INNOWax, cyanopropyl columns such as the Agilent J&amp;W DB-624 and DB-23, and apolar columns such as the Agilent J&amp;W DB-5. The data were most consistent and comprehensive with a 30 m × 320 µm, 0.5 µm DB-23. Most column selections eventually resulted in an adequate separation under optimized conditions, but the DB-23 was selected because the separation demonstrated less void time, better peak shape for NMS and 2PYR, and lower baseline bleed over time. Although both DB-624 and DB-WAX UI column chemistries are typically used to quantify residual NMP, the injections in this study contained NMP as the primary component of the injection, which impacts the separation. The unidentified impurity that eluted at 18 minutes under the conditions in Table 1 was used as a marker for the end of the GC run, as this compound was highly retained on some columns.&nbsp;<h4>Conclusion</h4>The Agilent 8850 GC, 7650 ALS, and J&amp;W DB-23 column together deliver exceptional performance for separating common impurities in NMP solvent. With intelligent features such as Sample Overlap and Peak Evaluation, as well as a compact design that conserves lab space, the 8850 GC is essential for high-throughput labs requiring consistency in results. The DB-23 column's excellent separation capabilities, demonstrated through comparative analysis of customer samples, make it ideal for workflows seeking detailed impurity information alongside the overall solvent purity results.<h3>2. University of Copenhagen / MDCW: The evaluation of GC×GC-QTOF data by pixel-based analysis: A Tutorial&nbsp;</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/N_Gawlitta_The_Evaluationof_G_Cx_GC_QTOF_Data_By_Pixel_based_Analysis_a_Tutorial_89b4f8ea57.pdf">Full PDF for download</a></li></ul>The identification of unknown sample components has become more important as the release of chemicals into the environment steadily increases leading to a high impact of potentially harmful substances. Comprehensive two-dimensional gas chromatography (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=2">GC×GC</a>) is a powerful tool for non-targeted analysis (NTA) especially when coupled to high resolution mass spectrometry (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=2-16-5">QTOFMS</a>). Bottleneck is the high amount of data and required manual corrections after data processing. Herein, we present a NTA workflow for the evaluation of GC×GC-QTOFMS data of 42 effluent samples from two wastewater treatment plants (WWTPs) in Denmark using pixel-based analysis.<h4>METHODS</h4>The effluent samples were analyzed after derivatization with MSTFA using GC×GC-QTOFMS. For data analysis, following steps were conducted: Data was binned to nominal mass and the total ion current (TIC) was used. Chromatograms were aligned using landmark approach (GC Image). Phase shifting and cropping was applied prior baseline correction using Lower Convex Hull Estimate. The influence of blank removal, scaling and normalization on the outcome of principal component analysis (PCA) and pixel prioritization was evaluated.<h3>3. Shimadzu: High Throughput HS-GC Method for Residual Solvent Analysis in Valsartan API&nbsp;</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_06_saip_gc_040_en_cd25278230.pdf">Full PDF for download</a></li></ul><h5>User benefits:</h5><ul><li>HS-20 NX features a short transfer line along with continuous isolation gas flow minimizes carryover and enhances precision.</li><li>Active overlapping function, reduces sample analysis cycle time which boosts productivity.</li><li>Multiple solvent analysis in a single method.</li></ul>According to Guidelines by International Conference on Harmonization (ICH) [1], all residual solvents should be removed to the extent possible, to meet product specifications, good manufacturing practices, or other qualitybased requirements. Testing for residual solvents in raw materials is highly recommended as this solvent may be carried through the process and remain in the finished product. Early in the process, control is usually more effective during initial manufacturing stages compared to remediation which may resultsin even rejection of final product.&nbsp;Residual Solvent: Residual solvents in pharmaceuticals are defined as organic volatile chemicals that are used or produced in the manufacturing of drug substances or excipients, or in the preparation of drug products. Residual solvent analysis in pharmaceutical products is necessary not only because they represent a potential risk for human health, due to their toxicity and their undesirable side effects, but also because they may affect the physicochemical properties of pharmaceutical products. Therefore, it is a mandatory requirement for health authorities in the world to accurately determine the levels of residualsolventsthat are present in APIs or finished products. The ICH guideline Q3C(R9)[2] classifies the regularly used solventsinto three different classes based on their toxicity :&nbsp;<ul><li>Class 1 solvents should be avoided due to their known carcinogenic effect on human. Hence, their use should not be employed in the manufacture of drug substances, excipients and drug products.&nbsp;</li><li>Class 2 solvents should be limited in the drug products because of their inherent toxicity.&nbsp;</li><li>Class 3 solvents are regarded as less toxic and of a lower risk to human health but those also have specified control threshold.</li></ul>Analysis of Residual solvents: Gas chromatography is the technique of choice used for the analysis of the residual solvents. Several methods are available for this analysis in pharmacopeial references such as USP, BP, PhEur which are based on headspace techniqueRequirement of high throughput GC method: Multiple method are required to analyze all the classified solvents in ICH. Also, these methods are having longer run time which decreases productivity. Further, huge amounts of solvents are consumed during sample and standard preparations. By using high throughput method, maximum number of residual solvents can be analyzed in a single method. Various combinations of residual solvents can be analyzed by preparing standard of desired residual solvents. This method can be optimized for the critically separated residual solvent pair at the time of actual analysis. Hence, it proves to be time efficient and cost effective.Use of <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexis+GC-2030">Nexis GC-2030</a> with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=HS-20+NX">HS-20 NX </a>for the high throughput method:Shimadzu’s Nexis GC with HS-20 NX headspace autosampler provides unique features which helps in rapid chromatographic analysis such as high head pressure capacity enabling fast GC analysis. Also, vial overlapping function decreases cycle time, thereby boosting productivity.<h4>Conclusion</h4>Shimadzu’s Nexis GC-2030 along with HS–20 NX headspace system is suitable for drug discovery and pharmaceutical applications, allowing testing of wide range of residual solvents from low to high boilers in a single method with a short run time.

News from LabRulezGCMS Library - Week 16, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 21st April 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, poster by MDCW / Mane SEA PTE and technical note by Thermo Fisher Scientific!<h3>1. Agilent Technologies: Determination of Polychlorinated Biphenyl (PCB) by GC/MS According to EPA Method 1628</h3>Using an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC">8890 GC</a> with an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5977C+GC%2FMSD+">5977C GC/MSD </a>in selected ion monitoring (SIM) mode<ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_pcbs_gcms_epa_method_1628_5994_8056en_agilent_1_dcb1461047.pdf">Full PDF for download</a></li></ul>PCBs are synthetic compounds belonging to the chlorinated hydrocarbon family. Historically, PCBs were extensively used in various industrial applications, including electrical components, plasticizers, and pigments and dyes. However, due to their environmental persistence and potential health risks, their use was banned in 1979 under the Toxic Substances Control Act (TSCA). Classified as POPs, PCBs resist degradation and are known to bioaccumulate in aquatic life according to the EPA.1 In response to the need for effective monitoring of PCBs, the EPA has developed method 1628, which employs low-resolution mass spectrometry in SIM mode.2 This method is the first to measure all 209 individual PCB congeners, calibrating for 65 PCBs and screening for the remaining 144 congeners. The method includes 29 labeled PCB surrogates and three labeled PCBs as internal standards for analytical accuracy. In this application note, an 8890 GC with a 5977C GC/MSD was used to analyze PCBs in sand and soil, meeting all requirements for EPA method 1628.<h4>Experimental</h4>An 8890 GC with a 5977C GC/MSD was used for this work. The 8890 GC was configured with mid column backflush to prolong column lifetime. Detailed method parameters were set according to EPA method 1628 and are shown in Tables 1 to 3.<h4>Results and discussion</h4>Example chromatograms are shown in Figures 1 and 2. Figure 1 shows the separation of the 65 calibrated PCB congeners and the 32 labeled PCB congeners at 50 and 40 ppb, respectively. The analytical separation of all 209 PCB congeners and 32 labeled PCB congeners at 50 and 40 ppb is shown in Figure 2.Per the method requirements for EPA method 1628, PCB congeners 28 and 31 must be chromatographically separated. The valley of the two peaks must be less than 80% of the height of the smaller peak, which is demonstrated in Figure 3. The method also requires that PCB congener 118 at 10 ppb has a signal to noise ratio (S/N) greater than or equal to 3:1. Figure 4 shows successfully meeting this method criteria with a S/N of 6.1 for PCB congener 118 at 10 ppb.<h4>Conclusion&nbsp;</h4>An Agilent 8890 GC with an Agilent 5977C GC/MSD was successfully used to analyze PCB congeners according to EPA method 1628. This method uses low-resolution SIM mode to quantitate 65 congeners while being able to see all 209 native congeners. All method requirements were met, including for linearity, resolution, and sensitivity.<h3>2. MDCW / Mane SEA PTE: Unraveling The Distribution and Enantiomer Ratio of Selected Carotenoid-derived Aroma Compounds In Oolong Tea Using MD-GC Coupled with MS</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Poster_14_13587ac212.pdf">Full PDF for download</a></li></ul>Carotenoid-derived compounds (CDCs) are important contributors to the xcharacteristic flavour of oolong tea. These compounds can exist in different xisomeric forms that have similar structural, physical and chemical but different sensory properties, making their differentiation difficult but important.However, the analysis of these carotenoid-derived compounds and determination of their enantiomeric distributions in tea is challenging due to their low concentrations and wide variability. In consideration of their impact on sensory perception, these challenges faced in their detection and quantification need to be addressedOBJECTIVE: To develop and optimize two-dimensional gas chromatography methods for the detection of CDCs and investigate their enantiomer distribution in different oolong teas.<h4>ANALYTICAL WORKFLOW</h4><ul><li>Comprehensive Two-Dimensional Gas Chromatography (GCxGC)</li><li>Heart-Cutting Two-Dimensional Gas Chromatography (GC-GC)</li></ul><h4>GCxGC-qTOF/MS OPTIMISATION</h4><ol><li>Continuous cold jet to trap the analytes at the head of the 2D column&nbsp;</li><li>Pulsed hot jet set at a fixed interval to release the trapped analytes&nbsp;</li></ol>Modulation period: amount of time between hot jet pulses Hot jet duration: length of time when the hot jet is turned on<h4>Conclusion</h4><ul><li>The modulation period determines the time when the compounds are allowed to separate on 2D and should be optimized to avoid wrap-around of peaks while efficiently utilizing the separation space. On the other hand, hot jet duration determines the amount of compounds entering the 2D.&nbsp;<ul><li>The optimized parameters for modulation period (14 s) and hot jet duration (350 μs) were used.&nbsp;</li></ul></li><li>MD-GC can overcome the challenges faced by conventional GC in the separation of complex tea matrices.&nbsp;<ul><li>GCxGC: improves detection limit due to cryogenic trapping of the modulation step.&nbsp;</li><li>GC-GC: removes interference from peaks of interest while improving quantification.&nbsp;</li></ul></li><li>Different cultivars and processing parameters result in different volatile compound compositions in oolong teas.</li></ul><h3>3. Shimadzu: High-Sensitivity Analysis of Formic Acid in Methanol Solution Using Jetanizer</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00833_en_adef055a54.pdf">Full PDF for download</a></li></ul><h5>User benefits:</h5><ul><li>Using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Jetanizer">Jetanizer</a> as a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexis+GC-2030+FID">GC-FID</a> nozzle makes it possible to accurately analyze formic acid in methanol solution.</li><li>The Jetanizersimply replaces the conventional GC-FID nozzle, making it easy to install and inexpensive.</li></ul>Green Transformation (GX) initiatives aim to transition from fossil fuels to green energy and balance greenhouse gas emissions reduction with economic growth. These initiatives are expected to use innovative technologies such as artificial photosynthesis, which utilizes sunlight to produce hydrogen and organic compoundsfrom water and carbon dioxide.&nbsp;Research on such artificial photosynthesis, along with the analysis of impurities in chemical products and raw materials, highlights the demand for high-sensitivity analysis of formic acid. A simple method for analyzing formic acid is gas chromatography (GC), where a TCD detector is used for highconcentration samples, and a BID detector is used for lowconcentration samples. Unfortunately, the FID detector, a general-purpose detector, lacks sensitivity to formic acid. However, by replacing the FID detector with a Jetanizer (In-Jet type methanizer) that contains a catalyst in the FID nozzle and adjusting the analysis conditions, high-sensitivity measurement of formic acid at the ppm level becomes possible.This Application News presents an example of the highsensitivity analysis of formic acid contained in a methanol solvent using Jetanizer as the GC-FID nozzle.<h4>Features of the Jetanizer</h4>The Jetanizer is a compact FID-Jet type methanizer that contains a catalyst filled inside (Fig. 1). As a result, it enables the detection of CO and CO2, which cannot be detected by a standard FID, by reducing them and converting them into methane. Additionally, the heating elements, sensors, and extra hydrogen gas supply lines previously required for methanizers are no longer necessary, allowing for direct installation and use just like a standard FID.<h4>Measurement of Formic Acid in Methanol</h4>The chromatograms of formic acid at various concentrations in methanol (1, 5, 10, 50, 100, 500, and 1000 ppm) and an enlarged view of the low concentration range are shown in Fig. 4. The calibration curve for N = 5 is presented in Fig. 5. Additionally, the overlaid chromatograms for continuous measurement at 10 ppm are shown in Fig. 6, and the RSD% of the area values for N = 5 at each concentration is provided in Table 2. Good reproducibility of the area was confirmed at each concentration.<h4>Conclusion&nbsp;</h4>High-sensitivity analysis of formic acid is essential for the impurity analysis of chemical products and raw materials, including GX. When analyzing formic acid using GC, it is necessary to select the appropriate detector based on the measurement concentration range. The method introduced here allows for the convenient analysis of formic acid by performing phosphoric acid treatment on the insert and column and utilizing a Jetanizer.<h3>4. Thermo Fisher Scientific: What is the benefit of high mass resolving power on the Orbitrap Exploris GC Series?</h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sl_003312_gc_hram_orbitrap_exploris_240_targeted_gc_sl003312_na_en_8f86e0d919.pdf">Full PDF for download</a></li></ul><h4>Why do I need high mass resolving power from Orbitrap technology?&nbsp;</h4><ul><li>Resolve target analytes from interfering compounds and matrix ions of similar mass.&nbsp;</li><li>Achieve sub-ppm mass accuracy to give data certainty in compound identification.&nbsp;</li><li>Sub-ppm mass accuracy enables narrow mass extraction windows (± 5 ppm) to give high selectivity, which in turn makes peak detection algorithms efficient.&nbsp;</li><li>Easily increase scope of analysis through full scan accurate mass data acquisition (Figure 1).&nbsp;</li><li>Quickly and confidently propose elemental compositions for the identification of unknown features.&nbsp;</li><li>Retrospective data processing of samples long after data acquisition.&nbsp;</li><li>Have high mass resolving power and sensitivity. No compromise.&nbsp;</li></ul>With resolving power of up to 240,000 and consistent sub-ppm mass accuracy, the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472">Thermo Scientific™ Orbitrap Exploris™ GC 240 mass spectrometer </a>is a unique laboratory tool for targeted and discovery workflows, where screening, quantitation, compound identification, and structural elucidation applications are required.&nbsp;High-resolution Orbitrap mass spectrometry has been available with both liquid and gas chromatography for many years and has proven to be a highly valuable analytical technique.1-4 More recently, the technology in gas chromatography moved to join the Thermo Scientific Orbitrap Exploris Mass Spectrometer series. This new platform of a benchtop hybrid quadrupoleOrbitrap mass spectrometer opens up research opportunities in a system with a significantly reduced footprint, saving both energy and raw materials. The benchtop hybrid quadrupole-Orbitrap mass spectrometer provides new possibilities for increased mass accuracy, sensitivity, and selectivity for GC-amenable compounds. Figure 2 shows how the resolving power is in the ideal range for volatile small molecules, with resolving power increasing with lowering m/z.<h4>The impact of mass resolution on selectivity for targeted analysis&nbsp;</h4>High-resolution, accurate-mass (HR/AM) experiments typically provide a full scan analysis of a sample, and for small molecule analyses, the scan range is typically 50–600 Da. Orbitrap technology provides the required selectivity to resolve the target compound from other compounds or from matrix ions of similar mass. For targeted compound analysis, the accurate mass of the diagnostic ion is extracted with a narrow mass extraction window (typically &lt; 5 ppm). This narrow window is possible only when the instrument provides sufficient mass accuracy, for which high mass resolving power is essential. However, when two mass profiles overlap, the measured mass profile is the sum of the two individual profiles. This overlap results in the incorrect assignment of the mass of the target compound. The problem is demonstrated in Figure 3, where a QuEChERS leek extract in acetonitrile was analyzed four times at resolving powers of 15K, 30K, 60K, and 120K (m/z 200).&nbsp;Being able to separate two compounds that are close in mass is one of the significant advantages of high-resolution accurate mass. This is demonstrated in Figures 4A-C where the compounds flurenol methyl ester C15H12O3 m/z = 240.0781 and dimetilan C10H16N4O3 m/z = 240.1217 were analyzed at equal intensity at three different resolving power levels of 30,000, 60,000, and 240,000. The zoomed spectra show excellent separation at all resolution levels, with improvements at 60K and 240K showing the clear benefits. When analyzed at 10:1 ratio (Figure 5), there is still good separation and mass accuracy. The latter reflects the real world where compounds will be at varying intensities, and it is essential that mass accuracy is maintained to make confident identifications.

News from LabRulezGCMS Library - Week 17, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 28th April 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 note by Agilent Technologies, poster by MDCW / UCT Prague and technical note by Thermo Fisher Scientific!<h3>1. Agilent Technologies: Group-Type Analysis of Jet Fuel Using the Agilent Flow-Modulated GC×GC-FID</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_jet_fuel_flow_modulated_gc_gc_fid_5994_7775en_agilent_6f7cf01d29.pdf">Full PDF for download</a></li></ul>Jet fuel, also known as aviation kerosene and aviation turbine fuel, is a petroleum product primarily used as fuel for aircraft turbine engines. Characterizing the composition of jet fuel is essential for ensuring safe and efficient aircraft operation and for maintaining the high performance and reliability standards the aviation industry requires. This type of analysis also has significant practical importance for understanding the fuel production process and evaluating catalyst performance and lifetime. The aromatic hydrocarbon content of jet fuel is a crucial quality indicator and is subject to global regulations.&nbsp;However, the number of unique hydrocarbon structural isomers in jet fuel exceeds the selectivity of conventional one-dimensional chromatographic and spectroscopic methods, which cannot provide the necessary hydrocarbon composition and carbon number distribution information. Comprehensive GC×GC has a number of advantages over conventional chromatographic techniques, such as enhanced resolution, peak capacity, sensitivity, and a highly ordered and structured separation pattern. The analysis procedure of such petroleum products can be significantly simplified, since GC×GC allows direct injection without the need for sample pretreatment. Additionally, the analysis of such petroleum products by GC×GC does not require any sample preparation or pretreatment, making it an attractive method for quality control laboratories.&nbsp;This application note establishes a group-type quantification method for jet fuel according to China's NB/SH/T 6078-2023 standard1 using the Agilent 8890 reverse fill/flush flow-modulated GC×GC-FID system.2–4 The Agilent reverse flow modulator (RFM) is a differential flow modulator. It is based on the Agilent Capillary Flow Technology (CFT) and fractionates the carrier gas by simply directing the carrier gas flow. The system requires no additional footprint (since the modulator is installed within the GC oven), has no moving parts, is cost-effective, robust, and yields highly reproducible results. The system is particularly suited to analyzing middle petroleum distillates like jet fuel, because these mixtures typically have a well-defined beginning and end of elution in GC separations. This application note determined the relative abundance of 1-ring aromatics, 2-ring aromatics, and homologous aromatic series by carbon number in real jet fuel samples. The repeatability, linearity, and quantitative precision of the system was also evaluated.<h4>Experimental</h4><h5>Instrumentation</h5>An <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=2&amp;mainauthorItems=10&amp;search=8890+GC">8890 GC×GC-FID</a> system with a split/splitless inlet and a reverse fill/flush RFM were used with the configurations listed in Table 1. Three different column sets were evaluated.<h4>Results and discussion&nbsp;</h4><h5>Repeatability</h5>RT stability is a critical characteristic for GC×GC-FID analysis, as peak identification relies on their position in the 2D chromatogram. The flow modulator, which does not involve any moving parts or cold/hot jets, achieves modulation by controlling the flow direction through a collection channel using an electronic pressure control module. By controlling the modulation process using the Agilent sixth-generation electronic pneumatics control technology, exceptionally stable RTs were achieved. Table 2 presents the primary retention time (1 RT) and secondary retention time (2 RT) data of various common aromatic species identified in jet fuel (n = 10). The 1 RT remains almost constant. The %RSD of 2 RT is less than 0.27% for all compounds, and near 0.0000% for most. The exceptional RT stability allows the user to generate a data template and use it for peak identification routinely without much concern about mismatch. The FID response in a GC×GC-FID system is also highly repeatable; the absolute area %RSD of each identified blob was typically below 2%, except in cases of very low concentrations such as benzene at 0.0033% mass, where it reached 2.95%. The normalized area %RSD is mostly below 1%, with a few exceptions falling between 1 and 3%.<h4>Conclusion</h4>The Agilent RFM flow-modulated GC×GC-FID system has been successfully applied to the group-type analysis of jet fuel. This system has proven it can provide high repeatability (both retention time and response), sensitivity, robustness, and quantitative precision. The exceptional retention time stability and precision in quantitation facilitate the ease of using the RFM for routine peak identification and quantitation. GC×GC-FID is a powerful tool that provides routine compositional analysis to further standardize jet fuel product quality.<h3>2. MDCW / UCT Prague: Challenges in data processing and evaluation of scent samples analysed by GCxGC-TOF</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P22_Jana_Cechova_MDCW_Liege_2025_ac16733581.pdf">Full PDF for download</a></li></ul>The aim of this contribution is to summarize the methods and procedures used in processing data obtained from the analyses of scent samples. The poster also demonstrates problems with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=ChromaTOF">ChromaTOF</a> software in processing raw data (version 5.51.06.0 and 5.55.41_BT by Leco).<h4>Data evaluation</h4>Three types of approaches:&nbsp;1) DA_2DCHROM [3] - automatic data alignment, anchor points not successful on such dense data&nbsp;2) Kovats indexes – 15 manually selected peaks as references in each chromatogram, retention indexes calculation for all other peaks&nbsp;<ul><li>semi-automatic, not always successful, slightly subjective according to the person&nbsp;</li><li>OUR CHOICE FOR MOST EXPERIMENTS&nbsp;</li></ul>3) Target peaks – manually selected peaks (up to 300 per chromatogram)&nbsp;<ul><li>successful, but very time-consuming, subjective&nbsp;</li><li>USEFUL FOR CERTAIN EXPERIMENTS</li></ul><h4>Material and methods</h4>According to the methodology [1], samples were collected from a volunteer palms using glass beads (3.6 mm; cleaned before sampling). Samples were then extracted into ethanol and evaporated. The extracts were dissolved in 70 µl of ethanol and analysed by comprehensive gas chromatography (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=BT-4D">GC×GC-MS, BT-4D</a>, Leco). [2]<h4>Conclusions</h4>Data evaluation types 2 and 3 are unsuccessful for data acquired from the BT-4D GC×GC-MS. Evaluating repeatability when using a mixture of standards is not possible even when using the target approach (this could be done on a version for 4D-C type).<h3>3. Thermo Fisher Scientific: Grant application resource: Using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472">Orbitrap Exploris GC</a> 240 mass spectrometer to accelerate research</h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/wp_003116_gc_hram_orbitrap_exploris_gc_240_solution_wp003116_na_en_310e55f573.pdf">Full PDF for download</a></li></ul>Scientific research laboratories need to obtain confident results while maintaining the highest levels of accuracy and confidence. For many researchers, it is critical to have the flexibility and analytical power to tackle a diverse range of analytical challenges to gain a comprehensive understanding of their samples. Most of these laboratories rely on both targeted and untargeted analytical approaches, using both gas chromatography and liquid chromatography coupled to single quadrupole or triple quadrupole mass spectrometry (MS) instrumentation. These systems cover the wide range of chemical classes to be detected but provide only limited information for discovery workflows. For targeted applications, they are limited to detect only those compounds in the target list, and they require careful optimization of acquisition parameters for each compound.&nbsp;High-resolution, full scan mass spectrometry using Orbitrap technology provides a solution to:<ul><li>Detection and quantification of an increasing number of compounds&nbsp;</li><li>Identification and elucidation of the chemical composition and structure of unknown compounds&nbsp;</li><li>Retrospective analysis of samples long after data acquisition&nbsp;</li></ul>High-resolution Orbitrap mass spectrometry has been available with both liquid and gas chromatography for many years and has proven to be a highly valuable analytical technique. More recently, the technology in gas chromatography moved to join the Thermo Scientific Orbitrap Exploris Mass Spectrometer series. This new platform of a benchtop hybrid quadrupole-Orbitrap mass spectrometer opens up new research opportunities in a system with significantly reduced footprint, saving both energy and raw materials in their manufacture.High-resolution Orbitrap mass spectrometry has proven to be a highly valuable analytical technique for both analytical science and scientific research applications. 1-3 Orbitrap mass spectrometry technology coupled to gas chromatography (GC) has evolved with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472">Orbitrap Exploris GC 240 mass spectrometer system</a> (Figure 1), which delivers a maximum resolving power of 240,000 (FWHM at m/z 200), in a compact design and with intelligent informatic solutions. Researchers gain the ability to have the right answers the first time and the flexibility to adapt to ever changing needs from superior mass accuracy, dynamic range, and robustness.This quadrupole Orbitrap mass spectrometer opens new possibilities for increased mass accuracy, sensitivity, and selectivity for GC-amenable compounds. The detailed examples described in this white paper highlight the benefits of highresolution MS coupled to GC for the confident detection of both known and unknown compounds in targeted and untargeted workflows. Figure 2 shows the different analytical approaches to increase scope of analysis through full scan high-resolution, accurate-mass data from a targeted list of analytes to screening and unknowns compound identification.Here, we highlight how next generation technologies in mass spectrometry hardware and software innovations detailed in Figure 3 and Table 1 achieve increased sensitivity and selectivity on the Orbitrap Exploris GC 240 system.<h4>Additional features for research applications:&nbsp;</h4><ul><li>Thermo Scientific™ ExtractaBrite™ Electron Ionization (EI) source&nbsp;</li><li>Ion source includes ion volume, repeller, source lenses, RF lens, and dual filaments in all ionization modes, programmable from 50 ˚C to 350 ˚C&nbsp;</li><li>VeV tuning allows optimized low electron energy acquisition down to 8 eV&nbsp;</li><li>Chemical ionization (CI) source for acquisition with positive ion chemical ionization (PCI) and negative ion chemical ionization (NCI)&nbsp;</li><li>Entire ion source can be removed or changed to a CI source in under 2 minutes without venting&nbsp;</li><li>Vent-free column exchange with patented source plug combination EI/PCI/NCI ion volume can be used without the need for source interchange</li></ul><h4>Conclusions&nbsp;</h4><ul><li>With unprecedented resolving power of 240,000 and consistent sub-ppm mass accuracy, the Orbitrap Exploris GC 240 mass spectrometer is a unique laboratory tool for targeted and discovery workflows, where screening, quantitation, compound identification, and structural elucidation applications are required.&nbsp;</li><li>The Orbitrap Exploris GC 240 mass spectrometer provides selectivity to resolve target compounds from other interfering compounds and/or from matrix ions of similar mass, which is essential for the compound confirmation in targeted or untargeted experiments. As an example, a mass resolving power of 240,000 (corresponding to a mass resolution of 230,000 at m/z 167.08113) is needed to separate bifenthrin from the background interfering ions in a soil sample extract.&nbsp;</li><li>High sensitivity is maintained across all resolving power settings, ensuring unmatched analytical performance irrespective of matrix complexity and providing limits of detection of ppt levels.&nbsp;</li><li>Excellent sub-ppm mass accuracy accelerates the identification of elemental composition and compound identification in unknown workflows by allowing the use of narrow mass tolerances.&nbsp;</li><li>Availability of soft chemical ionization, such as PCI coupled with MS/MS, allows for structural elucidation and confirmation of parent molecules using accurate mass information.</li></ul>

News from LabRulezGCMS Library - Week 18, 2025

In recent years, the use of biofuels, such as biodiesel, has increased as a clean and renewable alternative to conventional fossil fuels, representing a sustainable way to lower greenhouse gas emissions. Biofuels are created from biomass, such as food crops, plants, and more recently from algae, or waste products. The usage of biofuels has been expanding quickly, as businesses and industries throughout the world invest in the technology to lower their carbon footprint and meet renewable energy targets.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Automating_Biodiesel_Quality_Testing_With_Gas_Chromatography_GC_9b30fbafa2.jpg" alt="Thermo Fisher Scientific: Automating Biodiesel Quality Testing With Gas Chromatography (GC)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Automating_Biodiesel_Quality_Testing_With_Gas_Chromatography_GC_9b30fbafa2.jpg 234w," sizes="100vw" width="768" height="512"><h3>Biodiesel production</h3>Widely used fuel-grade biodiesel is made from vegetable oils (e.g., rapeseed, soybean, palm oil) through the chemical process of transesterification with alcohol (typically methanol), whereby glycerin is separated from the resulted mixture of free fatty esters (biodiesel).Once separated from glycerin, biodiesel can be blended with petroleum diesel in various concentrations, labeled as BXX, where XX represents the percentage of biodiesel in the mineral diesel. Typically, it can be used at a concentration of 5 percent (B5) up to 20 percent (B20) in diesel engines with little or no modifications.Biodiesel (B100) quality is critical to ensure a safe and satisfactory engine operation, therefore, during the production process it is important that reaction conversion yield, removal of glycerol, absence of polyunsaturated fatty acids (PUFA), removal of alcohol and absence unreacted glycerides are monitored.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Automating_Biodiesel_Quality_Testing_With_Gas_Chromatography_GC_2_d157db6977.jpg" alt="Thermo Fisher Scientific: Automating Biodiesel Quality Testing With Gas Chromatography (GC): Transesterification reaction for biodiesel production." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Automating_Biodiesel_Quality_Testing_With_Gas_Chromatography_GC_2_d157db6977.jpg 245w," sizes="100vw" width="1178" height="423">The American Society for Testing and Materials (ASTM) and the European Standards (EN) have published analytical methods that are widely adopted to characterize impurities in pure biodiesel (B100) by using gas chromatography (GC) coupled to flame ionization detection (FID):<h4><a target="_blank" rel="noopener noreferrer" href="https://www.en-standard.eu/csn-en-14105-fat-and-oil-derivatives-fatty-acid-methyl-esters-fame-determination-of-free-and-total-glycerol-and-mono-di-triglyceride-contents/">EN 14105</a> /<a target="_blank" rel="noopener noreferrer" href="https://www.astm.org/standards/d6584">ASTM D6584</a></h4><h5>Standard methods &nbsp;/&nbsp;&nbsp;&nbsp;Relevance</h5><ul><li>Determination of residual free and total glycerol and mono-, di-, triglyceride content: Unreacted glycerides and free glycerol are critical for engine injector clogging and fouling compounds formation</li></ul><h4><a target="_blank" rel="noopener noreferrer" href="https://www.en-standard.eu/une-en-14103-2020-fat-and-oil-derivatives-fatty-acid-methyl-esters-fame-determination-of-ester-and-linolenic-acid-methyl-ester-contents/">EN 14103</a></h4><h5>Standard methods &nbsp;/&nbsp;&nbsp;&nbsp;Relevance</h5>Determination of total FAMEs (Fatty Acid Methyl Esters) and linolenic acid methyl ester (C18:3) content: FAME content is a measure the reaction yield and allows accurate calculation of the cetane index of biodiesel<h4><a target="_blank" rel="noopener noreferrer" href="https://www.en-standard.eu/din-en-14110-fat-and-oil-derivatives-fatty-acid-methyl-esters-determination-of-methanol-content/">EN 14110</a></h4><h5>Standard methods &nbsp;/&nbsp;&nbsp;&nbsp;Relevance</h5>Determination of residual methanol: Small amount of residual methanol can reduce the flash point of biodiesel, potentially affecting the safe operation of fuel pumps, lifetime of seals and elastomers, and resulting in poor combustion<h3>Biodiesel analyzer: comprehensive quality check with one automated system</h3>Each of the standard methods requires specific GC conditions, calibration set up and sample preparation procedures, typically approached with different GC systems and manual sample handling. Especially the analysis of glycerol and unreacted mono-, di-, triglycerides requires complex and time consuming sample derivatization and complex calibration set up.To face the high throughput demand of analytical laboratories, a multimethod approach for the analysis of biodiesel samples can be achieved by operating a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/422">Thermo Scientific™ TriPlus™ RSH SMART</a> robotic autosampler in Clone Mode configuration, allowing it to serve two <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/487">Thermo Scientific TRACE™ 1610 GC</a> systems. The TriPlus actss as two independent autosamplers, so that different samples can be automatically injected into two GCs — one dedicated to glycerol analysis due to the high oven temperature that has to be reached — and one dedicated to methanol and FAME determination.The automation capability and versatility of the TriPlus RSH SMART autosampler is used to execute derivatization protocol as well as calibration setup with internal standard addition, for all the standard methods, followed by injection into the GC systems.This comprehensive solution for biodiesel analysis is ideal for laboratories performing quality control and production process monitoring, and looking to improve productivity with confident results.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Automating_Biodiesel_Quality_Testing_With_Gas_Chromatography_GC_3_2312812b9d.jpg" alt="Thermo Fisher Scientific: Automating Biodiesel Quality Testing With Gas Chromatography (GC): TriPlus RSH SMART autosampler configured for automated sample preparation and calibration setup, serving two TRACE 1610 GC systems, one dedicated for EN14105/ASTM D6584 and one dedicated to EN14103/EN14110." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Automating_Biodiesel_Quality_Testing_With_Gas_Chromatography_GC_3_2312812b9d.jpg 245w," sizes="100vw" width="780" height="429">Automation for calibration standards, sample derivatization, and internal standard addition, reduces the risk of errors and cross-contaminations, delivering highly precise and reliable analytical results. Automation also allows for unattended operations, saving analysts valuable time as well as limiting analysts’ exposure to the toxic reagents typically used in biodiesel sample derivatization protocols.<section><blockquote>Dr. Daniela CavagninoDr. Daniela Cavagnino is global Product Marketing Manager for GC and Autosampler/front-end solutions at Thermo Fisher Scientific. She received her Master's Degree in Chemistry at the University of Milan, Italy. She started her career in gas chromatography spending several years in R&amp;D laboratories working on GC technology innovation. She then conveyed her technical background into product management and marketing management roles with more than 20 years' experience in promoting GC/GC-MS technology and applications in several different market segments. During her career, she has participated as author and co-author in technical publications and actively operated as lecturer at international conferences.&nbsp;</blockquote></section>

Automating Biodiesel Quality Testing With Gas Chromatography (GC)

News from LabRulezGCMS Library - Week 19, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 12th May 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 technical note by Agilent Technologies, application note by Shimadzu and poster by MDCW!<h3>1. Agilent Technologies: How Does Bleed Impact GC/MS Data and How Can It Be Controlled?</h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/te_bleed_impact_gc_ms_data_5994_7586en_agilent_1_728100a153.pdf">Full PDF for download</a></li></ul><h4>Understanding column bleed&nbsp;</h4>Column bleed remains one of the most commonly observed yet misunderstood aspects of mass spectrometry (MS) data. Bleed elevates chromatographic baselines and creates spectral interference, lowering the quality of and confidence in your data. To understand bleed, it must first be considered where the bleed originates. While columns come in a wide variety of phase types, the most commonly used columns today, such as the 1, 5, and 624, are categorized as wall-coated open tubular (WCOT) columns. These columns are composed of fused silica tubing (with varying internal diameters, measured in mm), internally coated with a thin film of stationary phase (with varying thicknesses, measured in μm), as shown in Figure 1. This coated stationary phase interacts with analytes and creates the selectivity and retention characteristics of the chromatography; but, these same characteristics are the origins of column bleed.Column phases can be made from a wide variety of polarities of liquid polymers with a polysiloxane backbone. When heat is applied, the terminal end of the stationary phase polymer starts to bend back and attack itself, which is called "backbiting." Ring structures, which are thermodynamically stable, become liberated and increase the noise and raise the baseline, as shown in Figure 2. The process is then repeated. The higher the temperature provided, the faster the reaction is driven, which is why there is an increase in baseline at temperatures above 300 °C.&nbsp;An increase in the rise of a baseline can be problematic for low signal-to-noise analytes, as peak integration can negatively impact data quality. Stable, flat baselines optimize the accuracy and repeatability of peak integration. When working with sensitive detectors, such as MS, an increase in the sensitivity of the detector also increases the background noise and bleed detection, causing excess column bleed to be detrimental to the sensitivity of trace level compounds.<h4>Experimental</h4>An Agilent<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=+8890+GC"> 8890 GC</a> coupled with a flame ionization detector (FID), and an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5977B+GC%2FMSD+">5977 Series B GC/MSD </a>were used to collect data. Data acquisition was performed using Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=OpenLab+ChemStation">OpenLab ChemStation</a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=MassHunter+acquisition+software">MassHunter acquisition software</a>. Additionally, an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=Intuvo+9000+GC">Intuvo 9000 GC</a> coupled with an FID was used to collect data. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=J%26W+DB-5Q">J&amp;W DB-5Q and J&amp;W&nbsp;HP‑5Q GC columns </a>were compared to various conventional, commercially available 5ms GC columns.<h4>Results and discussion&nbsp;</h4><h5>Comparisons of bleed profiles at upper temperature&nbsp;limits&nbsp;</h5>To compare the thermal stability of the HP-5Q columns to conventional 5ms columns, columns were installed on an 8890 GC equipped with dual split/splitless inlets and dual FIDs, and experiments were done in tandem. After confirming that column connections were properly installed, free of leaks, and conditioned, the oven temperature was ramped up to temperatures of 330 and 340&nbsp;°C and held for 10 minutes each. Then, the oven temperature was ramped to a final temperature of 350&nbsp;°C (the programed MAOT of the column phases) and held for 30 minutes. As shown in Figure&nbsp;4, both the DB-5Q and HP-5Q maintained ultralow FID response at the upper temperature limits, both maintaining column bleed levels below 1.0 pA at 340 °C. Also, when operating the columns at 350 °C (the programmed maximum temperature) over a period of 10 hours, both the DB-5Q and HP-5Q maintained bleed levels below 2.0 pA, while the conventional 5ms columns X and Y had bleed levels at 10 and 4 pA respectively, demonstrating the increased thermal stability of the DB-5Q and HP-5Q GC columns.<h4>Conclusion&nbsp;</h4>While column bleed is a normal phenomenon, there are ways to decrease its impact on the analysis and sensitivity of the detector being used. Improved column technology, with the introduction of the Agilent J&amp;W DB-5Q and HP-5Q GC columns, has provided an increase in thermal stability that dramatically reduces column bleed. The decrease in column bleed at high temperatures allows an increase in sensitivity of mass spectrometers, as the spectral interference from ions due to backbiting of column phase is reduced. This demonstrates that the DB-5Q and HP-5Q GC columns are optimal for use with sensitive detectors such as GC/MS, triple quadrupole GC/MS, and GC/Q-TOF.<h3>2. MDCW: Group-type quantitation of hydrocarbons in aviation fuel using GC×GC–FID&nbsp;</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/2025_001_MDCW_ASTM_D8396_9a3aa6f3e5.pdf">Full PDF for download</a></li></ul>Accurate hydrocarbon composition of finished fuels, such as aviation fuel, is required to ensure quality control and to determine the effects of processes in fuel production. This has become even more important with the development of novel renewable fuels, such as sustainable aviation fuels (SAFs).Here, we demonstrate the use of reverse fill/flush (RFF) flow-modulated GC×GC–FID and automated group-type data processing to provide fast and accurate quantitative information on hydrocarbon composition.<h4>Experimental</h4><ul><li>Samples: A reference standard and reference blends of both diesel and aviation turbine fuel.&nbsp;</li><li>GC×GC: Modulator: INSIGHT®-Flow reverse fill/flush (RFF) flow modulator (SepSolve Analytical); Modulation period (PM): 7.8 s. Carrier gas: H2.&nbsp;</li><li>Column set: ASTM D8396 reverse phase column set (SepSolve Analytical, PN: OEM-SEP-COLKIT-10)&nbsp;</li><li>FID: Total H2 flow (column &amp; fuel): 50 mL/min; Air flow: 350 mL/min: Makeup gas flow: 5 mL/min; Temperature: 300 °C.&nbsp;</li><li>Software: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?search=ChromSpace%C2%AE+GC%C3%97GC+software">ChromSpace® GC×GC software</a> for instrument control and data processing</li></ul><h4>Results and discussion</h4><h5>Optimising the GC×GC separation&nbsp;</h5>Separation was optimised using a custom column set and larger loop volume, enabling excellent separation of the key chemical classes (Figure 2).The INSIGHT-Flow modulator used in this study has an adjustable sample loop (in the range of 25-250 μL) for greater flexibility in method development. The reference standard was analysed in replicate (n=10) to assess method repeatability and precision. The relative standard deviation (RSD) of the raw peak areas were all &lt;2%, while the calculated mass percent values were consistently within 0.5% of the known composition.&nbsp;<h5>Group-type classifications&nbsp;</h5>Group-type analysis of these key chemical classes was then performed on various fuels using the ‘stencil’ workflow in ChromSpace software (Figure 3). Once a stencil is created, it can be saved and applied to multiple data files in an automated batch sequence to generate area percent reports. This means that the method is then scalable across multiple GC×GC–FID platforms for fast classification. This proven workflow has already gained accredited status in a number of high-throughput environmental labs for the analysis of total petroleum hydrocarbons (TPH).<h4>Conclusions</h4>This poster has shown an end-to-end workflow for ASTM Method D8396, specifically:&nbsp;<ul><li>Proven reverse fill/flush modulation using the INSIGHT-Flow, a modulator in operation in numerous high-throughput labs across the world.&nbsp;</li><li>Optimal class separation with a tried-and-tested column set.&nbsp;</li><li>Fast, straightforward group-type data processing with ChromSpace software.&nbsp;</li><li>Doubled productivity with optional dual-channel GC×GC technology.&nbsp;</li><li>A retrofittable solution for all popular GCs, allowing existing systems to be upgraded to GC×GC capability</li></ul><h3>3. Shimadzu: Analysis of Dechlorane Plus Residues in Environmental Water Using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8050+NX">GCMS-TQ8050 NX</a> with Boosted Efficiency Ion Source(BEIS) and Long-Life Filament</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_03_gcmsms_566_en_93e41bdffc.pdf">Full PDF for download</a></li></ul>User Benefits:<ul><li>The combination of the BEIS and long-life filament enables high sensitivity analysis while maintaining long-term stability.</li><li>The 13C-Dechlorane 602 is used as internal standard(IS) in the optimization method to avoid the interference of isotope IS with target components in MRM mode.</li></ul>Dechlorane Plus (DP) is a synthetic substance mainly used as an adhesive, sealant and flame retardant for polymers in the industrial field. Due to its strong persistence and bioaccumulation, there is a significant risk to human and environmental health. In 2018, the European Chemicals Agency (ECHA) identified it as a Substance of Very High Concern (SVHC), and in June 2021 proposed to add it to Appendix XVII of the REACH regulation to restrict it, proposing to ban the production and use of DPs and prohibit the production and launch on the market of goods with DP content equal to or greater than 0.1% (by weight). In May 2023, the Stockholm Convention on Persistent Organic Pollutants (POPs) listed DP in Appendix A. At the same time, DP is also included in China's List of new pollutants under Key Control (2023 version).&nbsp;A method for the determination of residues of DPs in environmental water was established by using the Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8050+NX">GCMS-TQ8050 NX</a> equipped with Boost Efficiency Ion Source and long-life filament. This application news provides an important analytical method for determine the residue levels of new pollutantsin environment with high sensitivity and good stability.<h4>Quantitative Analysis</h4>In the initial scheme, 13C-DP was used as the IS. However, due to the same retention time of 13C-DP and the target compound, the characteristic ions cause interference, resulting in a large calibration curve intercept and a high RF RSD (&gt;80%). Therefore, 13C-Dechlorane 602 is used as the IS instead. Its retention time differsfrom target DP, which helps avoid the interference.<h4>Evaluation of Durability in Analysis of Standard Solution and Samples</h4>The sample solution and 0.5 ng/mL standard solution were tested to evaluate the long-term durability of response. A total of 500 analyses of the sample and 80 analyses of standard solution were conducted. Fig.3 shows the durability test results of the standard solution. The horizontal axis shows the number of analyses, while the vertical axis shows the peak area ratio for each analysis number. The results indicate that the changes in peak area ratio and ion proportion were within ±20% of the average value (calculated from very beginning 20 injections).<h4>Conclusion</h4>A method for the determination of DP residues in environmental water was established by using the Shimadzu GCMS-TQ8050 NX combined with BEIS and long-life filament. The target compound exhibited good linearity in the concentration range of 0.2 to 50.0 ng/mL and the RF RSD of calibration curve was less than 15 %. The standard solution of 0.2 ng/mL was injected for 10 consecutive times to measure the LOD with results of 0.063 and 0.103 ng/mL. The durability of DP response was investigated by alternating test of sample solution and standard solution, and the peak area ratio in standard solution fluctuated within 20% in 500 injection of samples. The recovery rate of 1 ng/mL in blank samples was around 102 %. The method has high sensitivity and good repeatability and is suitable for the determination of DP residues in surface water, groundwater, industrial wastewater, and domestic sewage.

News from LabRulezGCMS Library - Week 20, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 19th May 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, poster by MDCW and technical note by Thermo Fisher Scientific!<h3>1. Agilent Technologies: Py-GC/MS/MS Microplastic Analysis of Samples Containing Interfering Substances</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_microplastic_analysis_pygcmsms_5994_7637en_agilent_1_6caa53726f.pdf">Full PDF for download</a></li></ul>Microplastics, defined as plastic fragments with a particle size of 5 mm or less, originate from various products, such as cosmetics, clothing, food packaging, and plastic waste. Microplastics have been detected in water, soil, and air environments,5 as well as in food and within living organisms.7 Consequently, numerous analytical techniques are being developed to investigate the extent of microplastic contamination and its impacts.&nbsp;Microplastics can be seen with the naked eye or a microscope when the particle size is large, but observation is difficult when the size is small, and quantitative analysis by type of plastic is difficult. Techniques using spectroscopic instruments, such as IR or Raman, or thermal analysis instruments such as Py-GC/MS or thermal extraction desorption (TED)-GC/MS have been widely used.1, 2, 3, 4 IR and Raman spectroscopy can be used to identify the type, shape, size, and count of microplastics on filters after sample preparation and filtration. These techniques rely on spectroscopic analysis of the microplastics retained on the filter. For Py-GC/MS or TED-GC/MS, the microplastics collected on the filter are thermally decomposed, and the resulting compounds are analyzed with GC/MS, allowing for the quantification of each type of microplastic8 (by weight). In particular, Py-GC/MS has recently been recognized as an ASTM International method11 and is widely applied as an analytical method for analyzing microplastics in drinking water.12 In the case of environmental samples or food samples with complex matrices, additional matrix effects can negatively impact analytical performance or result in thermal decomposition products that cannot be separated from microplastic thermal decomposition product peaks, causing interference and overlapping with target ions.6&nbsp;In this application, we applied Py-GC/MS/MS (MRM mode) to microplastic analysis to determine whether accurate quantitative analysis of microplastics is possible even in samples containing complex matrices.<h5>Instrument and analysis conditions&nbsp;</h5>The instruments used were a Frontier Lab pyrolyzer (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=42&amp;search=Py-3030D">Py-3030D</a>) and an Agilent <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=7000E+triple+quadrupole+gc%2Fms">7000E triple quadrupole GC/MS system</a>. The temperature of the pyrolyzer was set to 600 °C, as shown in Table 1, and the components produced by thermal decomposition were passed through the GC inlet (320 °C, split 50:1), cryo-focused by liquid nitrogen applied to the front end of deactivated metal capillary column (UA-5, 30 m x 0.25 mm x 0.25 µm) in the Microjet Cryo Trap, separated by the GC oven temperature program after about 3 minutes, and transferred to the mass spectrometer. The analysis conditions are shown in Tables 1, 2, 3, and 4.<h4>Results and discussion</h4><h5>Chromatogram</h5>Chromatograms resulting from the analysis of the microplastics calibration standard (MPCS) that includes 11 types of microplastics are shown in Figure 1 for both Scan and MRM modes. The Scan mode total ion chromatogram (TIC) can be processed into extracted ion chromatograms (EIC) to confirm the target ion (m/z) for each indicator peak, as seen on the left side of Figure 1. The MRM TIC and EIC are shown on the right side of Figure 1. As can be seen, MRM mode can reduce matrix interference and enhance selectivity. Calibration curves can be created using either Scan or MRM mode using concentration of the MPCS.<h4>Conclusion</h4>We have established a quantitative analysis method using Py-GC/MS/MS (MRM mode) for complex matrix samples and trace levels of microplastics.&nbsp;Under the established Py-GC/MS/MS (MRM mode) conditions, the linearity of the calibration curves generated for the 11 types of microplastics, ranging from several hundred ng to several µg, was excellent (R² &gt; 0.99). Compared to Scan (Target EIC) mode, noise is reduced by two to several times when analyzed in MRM mode, and accordingly, the S/N ratio is increased when analyzed in MRM mode, enabling the detection of microplastics with better selectivity. In addition, when there is matrix interference during sample analysis, more accurate quantitative results can be obtained by applying the MRM mode, and Py-GC/MS/MS (MRM mode) can be very useful for quantifying complex matrix samples and trace levels of microplastics.<h3>2. MDCW: Analysis of (micro-)plastic-associated chemicals released into marine environments by comprehensive multidimensional gas chromatography-mass spectrometry</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/MDC_2025_Poster_d31ebb1c76.pdf">Full PDF for download</a></li></ul>Plastic materials contain many different chemicals, which include functional additives as well as trace levels of non-intentionally added substances. Plastic released into the environment acts as a vector for these chemicals, which may cause harm to exposed organisms. The complex mixture of chemical classes and concentrations within plastics is a challenge for analysis, which can be addressed through the use of multidimensional analytical approaches.&nbsp;Here, the chemical composition of different polymer samples was analysed using comprehensive multidimensional gas chromatography coupled to time-of-flight mass spectrometry. Ultrasonication assisted extractions with solvent represents a ‘worse-case-scenario’ in relation to environmental leaching, and provides a starting point for non-target analysis of microplastic leaching in marine environments.<h4>Results</h4>All the virgin polymer samples released chemicals under organic extraction. As shown in Figure 1, the Hexane DCM:MeOH MeOH EtOAc number of compounds released by each polymer was influenced by the solvent used for the extraction. Additionally, the conventional polymers released a higher number of chemicals than the biopolymers, particularly LDPE and PP.&nbsp;The high number of compounds released by LDPE and PP is due to the release of polymer-derived alkanes. The use of GC ×GC enabled separation and identification of other plastic-associated compounds from the alkane series (see respective chromatograms). In contrast, the other polymers released a range of compound classes. Some of the compounds identified in the extracts, for example phthalates, are detrimental to both human and environmental health.&nbsp;<h4>Conclusion</h4>Chemical extracts from several polymer samples demonstrated that virgin polymer samples contain chemicals which are not chemically bonded to the bulk polymer material – and therefore have potential to be released into the environment. Future leaching studies can be informed by the chemical identifications made, and increase the confidence that those compounds identified in leachates did originate from the respective polymer.<h3>3. Shimadzu: Quantitative Analysis of Furan and Alkylfuran in Processed Food Using a Triple Quadrupole GC-MS System and an SPME Arrow</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00876_en_96a8b1c14c.pdf">Full PDF for download</a></li></ul>User Benefits:<ul><li>Using an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=SPME+Arrow+">SPME Arrow </a>allows for highly sensitive analysis of furan and alkylfuran in processed food.</li><li>The MRM mode enables highly reliable analysis even in complex matrices.</li><li>An <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=AOC-6000+Plus+autosampler">AOC-6000 Plus autosampler</a> helps increase productivity and repeatability through automated pretreatment.</li></ul>Furan and alkylfuran compounds are commonly found in many foods, including coffee. They are known as volatile organic compounds that contribute to aroma. However, recent studies in various countries have reported health concerns regarding these compounds and monitoring of furan and alkylfuran has been recommended in the EU1) .&nbsp;These compounds are frequently measured using the HSGC/MS method, which is convenient and effective when present at relatively high concentrations. However, for samples containing low concentrations, pretreatment for concentration is necessary. This Application News article describes a method using an SPME Arrow and GC-MS/MS system that enables more consistent analysis even at trace concentrations in complex matrix samples.<h4>Instrument Configuration and Analytical Conditions</h4>The analysis was performed using an AOC-6000 Plus multifunctional autosampler and a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8040+NX">GCMS-TQ8040 NX </a>triple quadrupole gas chromatograph mass spectrometer system (Fig. 1). The AOC-6000 Plus is a multifunctional autosampler that can automatically switch between various sample injection methods, such as liquid injection, headspace injection, and solid-phase microextraction (SPME), depending on the sample and purpose (Fig. 2). In this analysis, an SPME Arrow, which offers improved durability compared to a traditional SPME fiber, was used forsample analysis. When using sampling methods involving concentration, such as the SPME method, matrix-derived impurities may also be concentrated, making it difficult to improve sensitivity due to interference from impurities. In this analysis, high sensitivity for analyzing furan in processed foods was achieved by using the SPME method in combination with the MRM mode of the triple quadrupole GC-MS system.<h4>Comparison of SIM and MRM</h4>To confirm the improvement in selectivity with MRM, analysis using the SIM mode was also conducted. Generally, the MRM mode of a triple quadrupole GC-MS system offers better selectivity compared to the SIM mode, leading to higher sensitivity and more consistent detection. Fig. 5 shows the SIM and MRM chromatograms of four components detected in baby food. While each component was detectable with both modes, the MRM mode provided higher selectivity, whereas the SIM mode was more susceptible to interference from impurities. Therefore, manual peak integration or changes to the quantitative ions may be required in the SIM mode depending on the sample.<h4>Conclusion</h4>Quantitative analysis of furan and alkylfuran in processed food was conducted using an SPME Arrow and a triple quadrupole GC-MS system. The AOC-6000 Plus multifunctional autosampler allows for highly sensitive and reproducible quantification of furan compounds using the SPME Arrow method. Additionally, by enhancing selectivity with the MRM mode of the triple quadrupole GC-MS system, more reliable analytical results were obtained.<h3>4. Thermo Fisher Scientific: Data-driven GC and GC-MS instrument monitoring with SmartStatus intelligent software&nbsp;</h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/tn_001883_gc_ms_gc_ms_ms_smartstatus_tn001883_na_en_99ce72eef2/tn-001883-gc-ms-gc-ms-ms-smartstatus-tn001883-na-en.pdf">Full PDF for download</a></li></ul>Rising costs can significantly impact an analytical laboratory’s profit margin, and it is crucial to maintain productivity and ensure maximum asset utilization to stay competitive. To balance increased overhead costs, including analytical gases and staff pay, laboratories must ensure that analytical instrumentation consistently produces results, without interruption. Re-analyzing entire runs due to drops in sensitivity, unnecessary downtime, and underutilization of consumables is expensive and time consuming.&nbsp;Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=SmartStatus">SmartStatus</a>™ instrument tracking can help laboratories realize additional cost savings. This is done by using data-driven insights to accurately determine when to perform maintenance and replace consumables and parts, so that the system consistently runs smoothly for all samples and meets specifications in the initial analysis. This ensures that consumables and parts are replaced on the correct schedule and avoids excess instrument downtime.&nbsp;SmartStatus instrument tracking is an intelligent instrument health software that allows users to track key aspects of their GC-MS system. It is available as standard on the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/483">TRACE™ 1600 GC series</a>, Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=AI%2FAS+1610+liquid+autosampler">AI/AS 1610 liquid autosampler</a>, Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484">ISQ™ 7610 GC-MS series</a>, and the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/485">TSQ™ 9610 GC-MS/MS series</a>. In this technical note, the new SmartStatus instrument tracking capabilities are highlighted with examples of how it can enable analytical laboratories to keep instruments producing consistent results.<h4>SmartStatus software overview&nbsp;</h4>SmartStatus intelligent software, available within Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76">Chromeleon™ Chromatography Data System (CDS)</a>, allows monitoring of the entire analytical system including Thermo Scientific™ autosamplers, GC, GC detectors (FID and TCD), and mass spectrometers (MS). Hundreds of key instrument parameters are monitored by SmartStatus software, which provides real-time data and insights informing the user to potential problems before they arise to ensure maximum instrument uptime. This allows users to make informed decisions on which parts of the analytical system require attention and when. By performing preventative maintenance using data-driven guidance, optimal instrument performance is sustained day in and day out. Figure 1 shows the SmartStatus software overview page for a TSQ 9610 triple quadrupole MS coupled to a TRACE 1610 GC and AI/AS 1610 liquid autosampler. This overview page allows a user to quickly determine if the system is ready to run or requires attention.&nbsp;For more information on instrument status, there is a detailed view for each part of the system. This next level view shows how many injections have been performed for the various GC consumables, the lifetime of the MS detector and filament, and when the last tune was performed. Figure 2 shows an example of the GC and MS parameters and how they are monitored. Each parameter is represented as a counter gauge. As the usage increases, the gauge changes color to quickly notify the user of any maintenance that is required or will be needed soon. This allows users to plan maintenance in advance to fit it around their schedule and workload. SmartStatus instrument tracking can be monitored directly in Chromeleon CDS, and consumables usage can also be monitored directly on the TRACE 1610 GC touch screen through the dedicated instrument health icon, as shown in Figure 3.<h4>Conclusion&nbsp;</h4>SmartStatus software is intelligent and data-driven, allowing users to make informed decisions on when to perform maintenance on their GC and GC-MS systems. Its features and advantages include:<ul><li>At-a-glance system ready status allowing the analyst to act only when needed, removing wastes&nbsp;</li><li>User customizability of monitored parameters, threshold, and time units, which gives users control to monitor the system in a way that fits their needs&nbsp;</li><li>Intelligent preventative maintenance alerts ensuring maintenance to be performed before issues arise, keeping the instrument up and running longer</li><li>Consumable tracking that enables sustainable operation and maximization of the use of each consumable&nbsp;</li><li>Smart Support for rapid remote diagnosis to ensure any instrument issues can be resolved without delay&nbsp;</li></ul>Utilizing SmartStatus software on the TRACE 1600 series GC, TSQ 9610 GC-MS/MS, and ISQ 7610 GC-MS gives the analyst data-driven insights to make informed decisions that allow laboratories to operate more sustainably by maintain productivity, maximizing consumable usage, and reducing laboratory costs.

News from LabRulezGCMS Library - Week 21, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 26th May 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 presentation by University of Alberta / MDCW!<h3>1. Agilent Technologies: Analysis of Phthalates Using the Agilent 5977C GC/MSD with Hydrogen Carrier Gas&nbsp;</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_phthalates_8890gc_5994_8354en_agilent_303b4b3071.pdf">Full PDF for download</a></li></ul>Plastics are ubiquitous in the modern world and are used in thousands of applications. To tailor mechanical characteristics of plastics, such as flexibility, transparency, and durability for specific uses, esters of phthalic acid are often added to their formulation. These compounds are not covalently bound to the plastics in which they are mixed, and thus, are easily released into the environment. They are present in a wide range of products including wire insulation, children’s toys, packaging, medical devices, pens, and tubing. Many countries now regulate phthalate content in many products. The analytical requirements for phthalate analysis vary depending on the region and products being tested, but GC/MS is usually the preferred measurement technique.&nbsp;The use of both hydrogen and helium as carrier gas in GC/MS analyses has been demonstrated in previous literature. For example, seven phthalates in polymer materials were successfully analyzed with GC/MS using helium carrier gas and calibrated from 50 to 1,000 ng/mL.1 The calibration performance for 17 phthalates over the range of 10 to 1,000 ng/mL and for two isomeric mixtures (DINP and DIDP) over the range of 125 to 10,000 ng/mL using helium carrier gas and Agilent JetClean self-cleaning ion source has been detailed.2 The use of hydrogen carrier gas, the Agilent HydroInert source, and backflushing for analyzing 10 phthalates in electrical cable samples over a calibration range 200 to 5,000 ng/mL has been achieved.3 Since many laboratories are considering converting from helium to hydrogen carrier gas for GC/MS analyses, it is useful to evaluate the performance of phthalates with hydrogen carrier gas down to low levels (&lt; 10 ng/mL).&nbsp;This application note focuses on GC/MS in selected ion monitoring (SIM) mode using hydrogen as the GC carrier gas. While helium is generally considered the best carrier gas for GC/MS analysis, its cost and reoccurring shortages have increased demand for applications using hydrogen. When adopting hydrogen for GC/MS analysis, there are several things to consider.<h5>Method Parameters</h5><ul><li>GC: Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC">8890 GC</a> with Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7693a">7693A automatic liquid sampler and tray</a></li><li>Inlet: Multimode inlet (MMI)</li><li>Mode: Pulsed splitless</li><li>Injection Pulse Pressure: 25 psi until 0.90 min</li><li>Purge Flow to Split Vent: 50 mL/min at 1.0 min</li><li>Injection Volume: 1.0 µL</li><li>Syringe: 10 µL, PTFE tip plunger, dual taper needle (G4513‑80203)</li></ul><h4>Results and discussion</h4><h5>Interferences and contamination&nbsp;</h5>The sensitivity of the GC/MS method employed here is sufficient to see the 17 individual phthalates at low pg levels (ng/mL). However, interferences and contamination initially limited calibration at the lowest concentrations. The interferences were identified as silicone peaks, and the contamination resulted from low levels of common phthalates found in the consumables and glassware used.&nbsp;Figure 4 shows an example of the problems encountered when first running isooctane solvent blanks.&nbsp;The blue trace that ends at 4.3 minutes is the SIM quantifier ion for DMP. Although there are a few peaks present in the blank, they are resolved from DMP and do not interfere.&nbsp;In the black SIM m/z 149 trace, multiple problems are evident. Significant responses for 1,2-benzenedicarboxylic acid (DIBP), dibutyl phthalate (DBP), and diethyl phthalate (DEP) are present, as are smaller ones for DEHP and DPHP. In addition, a series of peaks identified using scan data as siloxanes (labeled Si) are also observed. The DPHP peak is small and is obscured by the broadened siloxane ghost peak from a previous injection.&nbsp;Aliquots of approximately 75 µL of each calibration standard or blank isooctane were placed in autosampler vials with a 400 µL silanized flat bottom glass insert (part number 5183-2086). It was found that a significant portion of the phthalate contaminants in blanks was removed by baking the vials, vial inserts, vial septa, and the disposable Pasteur pipettes (used for aliquoting) overnight at 130 °C in a glassware oven.However, the interfering siloxanes were still evident. The vial septa initially used were of the common sandwich type consisting of 1 mm of silicone rubber with a layer of PTFE on the bottom side facing the sample liquid (part number 5185-5820). It was determined that each time the autosampler syringe needle pierced the septum, a microscopic particle of silicone rubber was deposited into the sample. The solvent then leached the siloxanes from the&nbsp;particles.<h4>Conclusion</h4>The Agilent 5977C GC/MSD and 8890 GC, when used with the method described in this application note, provide excellent peak shape, resolution, and sensitivity. The combination of hydrogen carrier and the Agilent J&amp;W HP-5ms 180&nbsp;µm diameter column allowed for reduced analysis times relative to helium. Calibration curves were linear for 14 of the phthalates from 1 to 1,000 pg. DMEP and DBEP required quadratic curve fits, and DMEP and DEHP were calibrated from 2.5 to 1,000 pg. DINP and DIDP were calibrated from 50 to 20,000 pg with a linear fit. Specific attention to the consumables used and their preparation before use is important for reaching the lowest calibration levels.<h3>2. University of Alberta / MDCW: Investigating Impacts of Cannabis Tobacco and Vapes on Lung Cells Using GC×GC-MS&nbsp;</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/OL_22_MDCW_JJH_new_b6a1ff2f18.pdf">Full PDF for download</a></li></ul>Background and MotivationSmoking is a leading cause of severe diseases such as heart disease, stroke, and lung cancer. As traditional cigarette use declines, vaping and cannabis consumption are on the rise, yet their long-term health effects remain poorly understood. This study aims to fill that gap by evaluating how these exposures affect lung cell metabolism, using comprehensive two-dimensional gas chromatography–mass spectrometry (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1-24&amp;search=GCxGC-TOFMS">GC×GC-MS</a>).Experimental ApproachResearchers developed a custom smoking machine with controlled temperature and airflow to expose lung cell cultures (ePNECs and HBECs) to smoke from cigarettes, cannabis, and vapes. Two main experiments were conducted: one varied incubation times (2h vs. 6h), and the other compared healthy vs. asthmatic cell responses. Sample preparation involved extraction, derivatization, and incubation before GC×GC-MS analysis.Key Findings<ul><li>Time-based metabolic changes: After 2 hours, changes in mRNA expression were evident, while protein changes appeared at 6 hours.</li><li>Cigarette-specific compounds: Compounds such as nicotine, monoacetin, propylene glycol, and putrescine were uniquely abundant in cigarette-exposed samples, especially in ePNEC cells.</li><li>Exciting biomarker pathways: Metabolites like L-phenylalanine and tyrosine—linked to neurotransmitter synthesis (dopamine, norepinephrine, etc.)—were notably altered, suggesting impacts on neurological or endocrine functions.</li><li>Cell type and health condition matters: Metabolic response patterns were more influenced by cell type than by exposure type. Asthmatic and healthy cells responded differently to smoke and vapor.</li></ul>Methodological Refinements and ChallengesTo improve exposure consistency, researchers engineered a 3D-printed plate enclosure to address concerns over smoke gradients and potential contamination from plate surfaces. This innovation aims to enhance experimental control in future studies.Conclusion and Next StepsThe GC×GC-MS approach successfully revealed significant metabolic shifts in lung cells following exposure to smoking and vaping products. With improved methodology, this line of research holds promise for deeper investigations into the health risks of emerging inhaled products.<h3>3. Shimadzu: Analysis of THC Metabolites in Urine by GC/MS-Scan</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00866_en_3480583b4b.pdf">Full PDF for download</a></li></ul>User Benefits:<ul><li>GC/MS-scan analysis can obtain mass spectral data, which improves the reliability of drug testing.</li><li>GC/MS-scan offers quantitative accuracy at ppb concentration levels sufficient for confirmation testing of initial screening results.</li></ul>Cannabis contains over 100 different cannabinoids. The main psychoactive component of cannabis, delta-9- tetrahydrocannabinol (Δ9-THC), affectsthe central nervoussystem causing symptoms such as hallucinations, pain relief, and sedation. Conversely, cannabidiol (CBD) has no hallucinatory effects, is not regulated in many countries, and is starting to be used in a variety of applications, including seizure medication, cosmetics, and supplements. Restrictions on cannabis are undergoing continuous reforms with some countries tightening restrictions and others relaxing them. In Japan, restrictions on cannabis for medical use are being relaxed, while laws were recently amended to tighten regulations on cannabis use and a portion of these laws went into effect in December 2024. Cannabis for recreational use is still prohibited in more than half of the countries in the world.&nbsp;The main restricted component of cannabis is Δ9-THC, which is metabolized in the body and principally excreted in urine and feces as the metabolites Δ9-OH-THC, Δ9-THC-COOH, and their glucuronide conjugates. 1) Based on this, urine must be analyzed for these metabolites to prove cannabis use. Although LCMS/MS offers the advantage of relatively simple sample pretreatment and is the prevailing technique used to test for cannabis metabolites in urine, GC-MS methods can record the full mass spectrum, which can be used to confirm the initial screeningresults.&nbsp;This Application News describes the analysis of cannabis metabolites in urine using a GC/MS-scan method. GC/MS-scan analysis can identify cannabis metabolites at sub-ppb levels in urine. GC/MS-scan analysis also produces highly repeatable and consistent quantitative data with low intra-day variability.<h5>Analytical Conditions&nbsp;</h5>Analytical conditions are shown in Table 1. This Application News used <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8040+NX">GCMS-TQ8040 NX</a>, but <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2020+NX">GCMS-QP2020 NX</a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2050">GCMS-QP2050</a> can also be used forthe same analysis.<h4>Results</h4>Representative chromatographic separation pattern was obtained by analyzing a spiked urine sample (100 ng/mL) to obtain the total ion current chromatogram (TICC) and mass chromatograms as shown in Fig. 2. Although the target compounds and the internal standards are in close proximity on the chromatogram,they can be readily separated by mass.&nbsp;Sensitive Enough for Mass Spectrum-Based Confirmation Fig. 3 shows the mass spectra and mass chromatograms for each target compound in urine samples spiked at 15 ng/mL. The S/N of all mass chromatograms was 68.2 or higher, demonstrating sufficient sensitivity for all target compounds. Fig. 3 compares the mass spectra obtained from a urine sample containing target compounds at 15 ng/mL with mass spectra obtained from standard solutions at 100 ng/mL. Although overlap between internal standards and sample impurities prevents mass spectrum subtraction from being used with some compounds, in this analysis, ion ratios were determined for ions characteristic to every target compound and spectrumbased cross-referencingwas possible.<h4>Conclusion&nbsp;</h4>This Application News confirms that GC/MS-scan analysis can be used for mass spectrum-based confirmation and offers quantitative accuracy sufficient to measure target compounds in urine at ppb concentration levels. Although the quantitative sensitivity of GC/MS-scan analysis is inferior to that of LC-MS/MS or GC-MS/MS methods, GC/MS-scan analysis records a full mass spectrum that can be cross-referenced to confirm initial screeningresults.

News from LabRulezGCMS Library - Week 22, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 2nd June 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, presentation by Certech / MDCW and poster by Thermo Fisher Scientific!<h3>1. Agilent Technologies: Fully Automated Workflow for Volatile PFAS Analysis in Food Contact Materials Using GC-Triple Quadrupole MS</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_volatile_pfas_gc_tq_5994_8295en_agilent_56f5e22152.pdf">Full PDF for download</a></li></ul>"Forever Chemicals" is a term used to describe PFAS due to their slow chemical breakdown and persistence in the environment. Because of their excellent waterproof, nonstick, and stain-resistant properties, PFAS are widely used in various industries and consumer applications. Materials containing PFAS have been used in food packaging and FCMs since the mid-20th century.1,2 Scientific studies have shown that PFAS are prone to migrating into food through various pathways, potentially leading to public health issues.2,3 Consequently, new guidelines and regulations have been established to ensure the quality and safety of the materials used in the food&nbsp;industry.&nbsp;In the United States, the Food and Drug Administration (FDA) has phased out the use of certain PFAS as grease-proofing agents in paper and paperboard packaging, including perfluorooctanoate (PFOA), perfluorooctane sulfonate (PFOS), and 6:2 fluorotelomer alcohol (6:2 FTOH).4 In addition, the European Union (EU) is working on a comprehensive restriction of PFAS under the Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH), which aims to limit the use of PFAS in various applications including food packaging and FCMs.5 Germany, Denmark, the Netherlands, Norway, and Sweden have also jointly proposed that the European Chemicals Agency (ECHA) enact a broad ban on PFAS in the EU market (REACH Appendix XV).6 It is expected that more regulations and voluntary initiatives will be implemented to address and control PFAS contamination in food packaging and contact materials.&nbsp;Therefore, establishing a sensitive and accurate quantitative analytical approach for PFAS analysis is crucial to ensure the safety of materials used in food industry. Technologies such as liquid chromatography (LC) and gas chromatography (GC) paired with triple quadrupole mass spectrometry (TQ) are often used to analyze different PFAS groups based on their properties.3 Volatile compounds such as FTOHs and fluorotelomer acrylates (FTAs) are particularly suitable for GC/TQ analysis due to their high vapor pressure. Manual sample preparation for PFAS in food packaging or FCMs involves processes such as leaching, cleanup and evaporation that are labor-intensive, costly, and reduce lab productivity.7 This application note presents a robust and fully automated method that uses the PAL3 Series 2 RTC autosampler coupled with an Agilent 7010D GC/TQ to quantify more than 30 volatile PFAS analytes in paper coffee cups, an FCM. The performance of the automated workflow was evaluated in terms of calibration linearity, MDLs, QC recovery, and method&nbsp;precision.<h4>Experimental</h4><h5>Instrumentation</h5>Figure 1 shows the integrated <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=PAL3+autosampler">PAL3 Series 2 RTC autosampler </a>coupled with an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7010D+GC%2FTQ">7010D GC/TQ</a> in the setup used to apply the fully automated PFAS quantitation workflow to paper coffee cup matrix. A 120 cm PAL3 Series 2 RTC autosampler was used as an automated liquid handling platform for calibration standards preparation, sample extraction, and injections onto the GC/TQ system. Equipped with various tools and modules, the PAL3 Series 2 RTC autosampler provided the necessary capabilities for its designated functions.For the analysis of PFAS, a 7010D GC/TQ with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=HES+2.0+ion+source">HES 2.0 ion source</a> was coupled to an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC">8890 GC</a> system equipped with an MMI inlet and splitless liner (part&nbsp;number&nbsp;5190-2293). SWARM autotune was performed to obtain the optimal instrument settings. The entire system was managed by Agilent MassHunter Acquisition 13.0 software, which provides an integrated single-software-system experience. The instrument operating conditions and parameters are listed in Table 1.<h4>Conclusion</h4>This study demonstrates a robust and fully automated method for the analysis of volatile PFAS in FCMs using a PAL3 Series 2 RTC autosampler coupled with an Agilent 7010D GC/TQ system. The Agilent MassHunter Optimizer proved invaluable by simplifying and accelerating the development of the acquisition method for the volatile PFAS, making the process user-friendly and efficient. The 7010D GC/TQ system with the next-generation HES 2.0 ion source provided exceptional sensitivity, achieving sub-ppb MDLs for the majority of PFAS analytes.&nbsp;This high level of sensitivity ensures accurate quantitation of trace levels of volatile PFAS, which is essential for reliable analysis. Notably, for all FTOHs, an LOQ of 20&nbsp;µg/kg with recoveries ranging from 65&nbsp;to 135% and %RSD &lt; 10 were achieved, highlighting the high extraction efficiency, accuracy, and reliability of the automated PAL3 Series 2 RTC autosampler with Agilent 7010D GC/TQ workflow for PFAS analysis in FCMs.&nbsp;Automation of the workflow offers significant advantages for routine laboratory operations. Automation reduces human errors, eliminates the need for manual intervention, decreases chemical usage, and enhances overall laboratory productivity. This high-throughput solution is not only reliable but can be used to provide valuable food safety guidance to regulatory bodies by ensuring that trace-level volatile PFAS monitoring in FCMs is efficient and&nbsp;accurate.<h3>2. Certech / MDCW: Characterization of Odorous Compounds in Recycled Materials</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/OL_19_Certech_Brasseur_C_16th_MDCW_423e916ef1.pdf">Full PDF for download</a></li></ul>Recycled materials such as polypropylene (PP) and high-density polyethylene (HDPE) often emit unpleasant odors that can limit their applications. At the 16th MDCW, Certech presented a comprehensive methodology to identify and characterize these odorous compounds, which are typically present in trace amounts yet have significant sensory impact. Their approach combines sensory evaluation with advanced analytical instrumentation to reveal the chemical origin of smells.Certech relies on GC-MS/Olfactometry, also known as "sniffing" - to link chemical structures with perceived odors. Trained panelists assess the intensity and character of smells in controlled sensory rooms, while instruments detect compounds at extremely low concentrations. Key techniques include thermal desorption (TD), headspace-trap, and high-capacity sorptive extraction (HiSorb), integrated into the Centri® platform for automated and reproducible sampling.To deal with complex matrices like recycled PP, Certech employs <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=GC%C3%97GC-HRTOFMS%2FFID">GC×GC-HRTOFMS/FID</a>, a powerful method that enables the detection of co-eluting compounds and unknowns. This multidimensional gas chromatography technique helps identify specific odor contributors such as pyrazines, diketones, or thiophenes, and supports comparisons before and after treatment processes.Certech's custom methods, including Tedlar bag sampling and Tenax sorbent tubes, allow for global odor assessment under controlled thermal conditions. These tools make it possible to isolate and study minor volatile organic compounds (VOCs) that are otherwise masked by the complexity of the sample matrix.By integrating human sensory perception with cutting-edge chemical analysis, Certech provides industries with actionable insights to improve the sensory quality of recycled polymers. Their services are a key asset for manufacturers aiming to meet quality expectations in sustainable materials.<h3>3. Shimadzu: Gas Analysis Using a Brevis GC-2050 Gas Chromatograph with a GI-30 Auto Gas Injector and TCD and BID Detectors</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00858_en_1_a8de0ad49c.pdf">Full PDF for download</a></li></ul>User Benefits:<ul><li>The updated TCD detector has a shorter stabilization time and is suitable for analyzing high-concentration components.</li><li>Shimadzu's unique BID detector can simultaneously analyze principal compounds including H2 and also detect low-concentration components.</li><li>The combination of TCD and BID detectors allows for analyzing a wide range of sample concentrations.</li><li>The newly introduced GI-30 automatic gas injector enables automatic and reproducible analysis of gas samples..</li></ul>GC is used to analyze gases in a wide range of fields, such as natural resources/energy and environmental testing. Typical components analyzed include inorganic gases like H2, CO, and CO2, and lower hydrocarbons starting with CH4. When analyzing these components with GC, either the TCD or BID detector can be selected asthe detector.&nbsp;Both TCD and BID detectors can detect all compounds except for carrier gases (the BID cannot detect Ne). TCD detectors are characterized by their ability to analyze high-concentration components reliably and its short stabilization time. In contrast, BID detectors are unique detectors, only offered by Shimadzu, that can detect low-concentration components that are difficult to detect with TCD detectors and can simultaneously analyze a variety of compoundsincluding H2.&nbsp;This article describes using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050">Brevis GC-2050</a> system equipped with TCD and BID detectors to analyze gases with a GI-30 automatic gas injector. Using the GI-30, gas samples can be automatically injected into the GC unit, enabling reproducible continuous analysis. In addition, since the GI-30 can be used in conjunction with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=AOC-30">AOC-30 series autoinjector</a> or other units, gas samples and liquid samples can be efficiently analyzed with a single GC unit. This article also examines the analysis process flow and reproducibility when using the GI-30.<h4>Conclusion</h4>TCD and BID detectors, which can be installed in Brevis GC-2050 systems, are both effective detectors for gas analysis. TCD detectors can analyze high-concentration components and is characterized by a short stabilization time. BID detectors can detect trace components that are difficult to detect with a TCD detector and allow simultaneous analysis including H2. Additionally, the newly released GI-30 model not only reduces the burden on analysts through automatic continuous gas analysis but also enables highly reproducible analysis, which is difficult to achieve with manual injection.<h3>4. Thermo Fisher Scientific: An integrated GC-MS/MS and LC-MS/MS workflow for quantitative analysis of pesticides with cross-confirmation using a single chromatography data system software</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_202_integrated_workflow_qantitative_pesticides_single_chromatography_software_po202_asms2024_en_2c2a405797.pdf">Full PDF for download</a></li></ul>According to the World Health Organization, more than one thousand different pesticides are used to protect crops from pests to increase yields and to minimize deterioration of agricultural products during storage and transportation. However, inappropriate use of pesticides can result in contamination of the food supply and the environment making it essential to define and monitor pesticide residue targets to protect the environment, consumer health, support trade, and establish food regulatory control. Consequently, laboratories are tasked to develop methods with a broad scope to detect, correctly identify, and quantitate hundreds of different pesticides and their transformation products in diverse sample matrices, and often at levels well below maximum residue levels (MRLs) set by regulatory bodies.<h4>Materials and methods</h4>The samples were extracted using the Thermo Scientific <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=QuEChERS+AOAC+2007.01+Method+extraction+kit">QuEChERS AOAC 2007.01 Method extraction kit</a> (P/N S1-15-AOAC-POT). Acetonitrile (15 mL) was added to 15 g of green beans sample; for wheat, water (15 mL) plus acetonitrile (15 mL) were added to the sample (5 g). No clean-up was applied to extracts for LC-MS/MS before injection. GC-MS/MS extracts were cleaned up using the Thermo Scientific QuEChERS AOAC 2007.01 method clean-up kit (P/N S2-2-GFV-AOAC-KIT), and an aliquot of the cleaned-up solution was solvent exchanged to heptane before injection.For the LC-MS/MS amenable pesticides, a Thermo Scientific Vanquish Flex UHPLC system was connected to a Thermo Scientific Altis Plus mass spectrometer system. Chromatographic separation was achieved using a Thermo Scientific Hypersil GOLD C18 column (150 × 2.1 mm, 3 μm). See Figure 1 for more method details.&nbsp;For the GC-MS/MS amenable pesticides, a Thermo Scientific <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/486">TRACE 1610 GC</a> equipped with a Thermo Scientific iConnect Thermospray injector (TSI) and a Thermo Scientific <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/422">TriPlus SMART autosampler </a>was connected to a Thermo Scientific <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/485">TSQ 9610 triple quadrupole GC-MS/MS </a>system equipped with a Thermo Scientific Advanced Electron Ionization (AEI) source. Chromatographic separation was achieved using a Thermo Scientific <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1747">TraceGOLD TG-SQC GC-capillary column</a> (15 m × 0.25 mm ID × 0.25 μm film thickness). See Figure 2 for more method details<h4>Conclusions</h4><ul><li>The pre-configured Thermo Scientific GC-MS/MS and LC-MS/MS pesticide workflows for analysis of approximately 700 pesticides are available as out-of-the-box solutions which include the hardware, software, built-in instrument and data processing methods, details of sample extraction, and consumables for fast implementation into any laboratory.&nbsp;</li><li>The unique feature for cross confirmation of identity, combining GC-MS/MS and LCMS/MS data, provides increased confidence in results and reduces the need for reanalysis while minimizing the possibility of false positive and negative results.&nbsp;</li><li>The results obtained from analysis of the PT samples demonstrate how the integrated workflows can quantitate GC-MS/MS and LC-MS/MS amenable pesticides with the required accuracy and precision in a blind test, mimicking a real-world lab situation.&nbsp;</li><li>The Chromeleon CDS version 7.3.2, built specifically for pesticides, provides fast data processing of large datasets comprising of hundreds of pesticides, in any configuration, from a workstation on a single computer to a complete Chromeleon Enterprise environment connecting multiple MS instruments and computers.</li></ul>

News from LabRulezGCMS Library - Week 23, 2025

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