<p><strong>As you embark on your festive celebrations, clinking glasses filled with delightful brews, have you ever considered the meticulous science behind that perfect sip? At Creature Comforts Brewing Co., ensuring each sip of your favorite drink, be it their seasonal festive IPA or my favorite the bold Flash Cat imperial IPA, tastes just right is a year-round commitment.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_The_Joy_of_Festive_Drinks_A_Cheerful_Tale_of_Consistency_2a360b32e9.jpeg" alt="Thermo Fisher Scientific: The Joy of Festive Drinks: A Cheerful Tale of Consistency." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_The_Joy_of_Festive_Drinks_A_Cheerful_Tale_of_Consistency_2a360b32e9.jpeg 245w," sizes="100vw" width="1024" height="512"></p><p>Nestled in Athens, Georgia, Creature Comforts has become a beacon of quality in the craft beer community since its inception in 2014. Their success lies not just in innovative brewing, but in an unwavering focus on consistency. For this they use an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484"><strong>advanced Gas chromatography mass spectrometry or GC-MS system</strong></a>. This instrument is a crucial tool in the brewery’s lab that ensures every batch of beer is <strong>consistent </strong>and meets the <strong>highest standards</strong>.</p><p>At Creature Comforts, an array of tests are performed which include checking for <strong>alcohol content, pH levels, density</strong>, and <strong>microbiological tests </strong>to ensure no beer-spoiling organisms are present. Among the most critical tests is the daily check of<strong> vicinal diketones</strong> (VDKs), compounds that can impart off-flavors if not properly controlled. The GC-MS system excels at performing these tests swiftly and accurately. The <strong>GC-MS</strong> system is also utilized for experimental trials, testing how variations in ingredients or processes might affect the final product.</p><p>In-house testing using such advanced equipment allows for rapid issue resolution and ensures that production rates remain high without sacrificing quality. By keeping sample handling within a controlled environment, contamination is avoided, and testing accuracy is maintained. Adding another layer of quality assurance is their sensory panel, a group of trained tasters who subject each batch to rigorous tasting sessions. This panel functions like Santa’s little helpers, making sure only the best brews make it to your holiday celebrations. Any batch that doesn’t meet their expectations is promptly held back for further adjustments.</p><p>So, this festive season, as you enjoy a glass of your favorite holiday beer, take a moment to appreciate the dedication and precision that goes into each sip. Behind every beer, lies a commitment to quality and consistency that makes your celebrations a bit more special. Here’s to the craft brewers who ensure our festive drinks are always delightful, maintaining the joy and cheer of the season, one sip at a time. Happy holidays and cheers to consistent quality!</p><blockquote><p>For more insights into the dedication and science behind Creature Comforts’ brewing process, check out the <a target="_blank" rel="noopener" aria-label="full case study - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="https://assets.thermofisher.com/tfs-assets/cmd/reference-materials/cs-000433-gc-ms-flavors-volatiles-beer-cs000433-en.pdf$fullcasestudy"><a target="_blank" rel="noopener noreferrer" href="https://assets.thermofisher.com/TFS-Assets/CMD/Reference-Materials/cs-000433-gc-ms-flavors-volatiles-beer-cs000433-en.pdf"><strong>full case study</strong></a></a>.</p><p><strong>Visit our&nbsp;</strong><a target="_blank" rel="noreferrer noopener" aria-label="LinkedIn page - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="https://www.linkedin.com/showcase/chromatography-&amp;-mass-spectrometry/posts/?feedview=all$linkedinpage"><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/chromatography-&amp;-mass-spectrometry/posts/?feedView=all"><strong>LinkedIn page</strong></a></a><strong>:</strong> #GCMS #QC</p></blockquote><section><blockquote><h4 data-uw-rm-heading="level" role="heading" aria-level="2"><strong>Adam Ladak</strong></h4><div itemprop="description">Adam Ladak is the global product marketing manager for GC quadrupole mass spectrometry at Thermo Fisher, based in the UK. He started his career working in a contracting testing lab analyzing sports supplements and horse feed for prohibited substances. He has over 20 years of experience in the analytical testing industry and has worked for leading instrument manufacturers in various roles from an application specialist to a global marketing role focused on food and environmental testing. Adam is passionate about utilizing our GCMS instrumentation to meet the customer needs and solve real world problems.</div></blockquote></section>

The Joy of Festive Drinks: A Cheerful Tale of Consistency

<p><strong>Polycyclic aromatic hydrocarbons (PAHs) are a group of organic compounds with two or more fused aromatic rings. They are found in fossil fuels and are produced by the incomplete combustion of organic matter, making them ubiquitous in the environment. Due to their potential toxic effects, including carcinogenicity and endocrine disruption, PAHs are closely monitored in the environment, especially in soil and water samples.&nbsp;</strong></p><p>However, the analysis of PAHs in environmental samples presents several challenges, particularly when adhering to stringent regulatory requirements such as the <strong>U.S. EPA Method 8270E1</strong>. In this blog, we will explore these challenges and how advanced GC-MS technology can be utilized to address and overcome these challenges.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Tackling_PAH_Analysis_in_Environmental_Samples_Overcoming_the_Challenges_with_Advanced_GC_MS_Technology_8ba846d208.jpg" alt="Thermo Fisher Scientific: Tackling PAH Analysis in Environmental Samples - Overcoming the Challenges with Advanced GC-MS Technology." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Tackling_PAH_Analysis_in_Environmental_Samples_Overcoming_the_Challenges_with_Advanced_GC_MS_Technology_8ba846d208.jpg 245w," sizes="100vw" width="1024" height="576"></p><h3 id="h-challenges-in-pah-analysis" data-uw-rm-heading="level" role="heading" aria-level="2"><strong>Challenges in PAH Analysis</strong></h3><h4 id="h-1-regulatory-compliance" data-uw-rm-heading="level" role="heading" aria-level="3"><strong>1. Regulatory Compliance</strong></h4><p>Compliance with <strong>EPA Method 8270E</strong> requires specific tuning and calibration procedures. For instance, the method mandates the use of DFTPP (Decafluorotriphenylphosphine) tuning to ensure ion abundances are within acceptable limits. Additionally, maintaining consistent instrument performance over extended runs without maintenance is crucial to meet regulatory standards and ensure results are reported in a timely manner.</p><h4 id="h-2-complex-sample-matrix"><strong>2. Complex Sample Matrix</strong></h4><p>Environmental samples including soil and wastewater are complex matrices and contain interference that can affect the accurate detection and quantification of PAHs. The presence of isobaric compounds necessitates high chromatographic resolution to distinguish between closely eluting PAH compounds, such as benzo[b]fluoranthene and benzo[k]fluoranthene.</p><h4 id="h-3-wide-range-of-detection-levels"><strong>3. Wide Range of Detection Levels</strong></h4><p>PAH analysis must cover a wide range of detection levels across different matrices, from low parts-per-billion (ppb) to high parts-per-million (ppm) concentrations. This diversity necessitates a versatile analytical method capable of maintaining accuracy and precision across a broad dynamic range. Creating and managing multiple calibration curves for different concentration ranges and matrices can be time-consuming and prone to errors.</p><h3 id="h-overcoming-the-challenges-of-pah-analysis-in-environmental-samples"><strong>Overcoming the Challenges of PAH Analysis in Environmental Samples</strong></h3><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Tackling_PAH_Analysis_in_Environmental_Samples_Overcoming_the_Challenges_with_Advanced_GC_MS_Technology_2_e03ef1d953.jpg" alt="Thermo Fisher Scientific: Figure 1: Chromatographic separation and peak shape for 19 investigated PAHs, 5 labelled ISTD and 2 Surrogate standards in a solvent standard at 0.1 ppm acquired in SIM. Tracks of the quantification ions are reported for each peak in different colors. 1=Naphthalene-d8, 2=Naphthalene, 3=2-methyl Naphthalene, 4=1-methyl Naphthalene, 5=Acenaphthylene, 6=Acenaphthene, 7=Acenaphtene-d10 , 8=Dibenzofuran, 9=Fluorene, 10=Tribromophenol 2,4,6, 11=Phenantrene-d10 , 12=Phenantrene, 13=Anthracene, 14=Fluoranthene, 15=Terphenyl-d14, 16=Pyrene, 17=Benz[a]anthracene, 18=Chrysene-d12, 19=Chrysene 20=Benzo[b]fluoranthene, 21=Benzo[k]fluoranthene, 22=Benzo[a]pyrene, 23=Perylene-d12, 24=Dibenzo[a,h]anthracene, 25=Indeno[1,2,3-cd] pyrene, 26=Benzo[g,h,i]perylene" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Tackling_PAH_Analysis_in_Environmental_Samples_Overcoming_the_Challenges_with_Advanced_GC_MS_Technology_2_e03ef1d953.jpg 245w," sizes="100vw" width="1024" height="552"></p><p>A PAH analysis method was fully optimized on the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484"><strong>Thermo Scientific ISQ 7610 single quadrupole GC-MS system</strong></a>, equipped with the XLXR detector to overcome these challenges. For more information on the methods details and extensive data from the analysis you can review the full application note. The highlights of the benefits of using this GC-MS system include:</p><h4 id="h-1-wide-dynamic-range"><strong>1. Wide Dynamic Range</strong></h4><p>The XLXR detector offers an extended linear dynamic range and during this study over four orders of magnitude <strong>(2.5 ppb to 20 ppm)</strong> were covered for the <strong>19 PAHs </strong>analyzed. This wide dynamic range eliminates the need for separate calibration curves for different concentration ranges, simplifying the workflow and reducing the potential for errors.</p><p>Using a single calibration curve for multiple matrices, such as soil and water, offers significant advantages:</p><ul><li><strong>Simplified Workflow</strong>: A single calibration curve across a wide dynamic range streamlines the analytical process, reducing the time and effort required to prepare and manage multiple curves.</li><li><strong>Increased Throughput</strong>: By eliminating the need for separate curves, laboratories can analyze more samples in less time, enhancing productivity and reducing turnaround times.</li><li><strong>Improved Accuracy</strong>: Combined calibration curves minimize the potential for calibration errors, ensuring consistent and reliable quantification across different sample types.</li><li><strong>Versatility Across Matrices</strong>: The ability to use a single calibration curve for different matrices (e.g., soil and water) enhances the versatility of the analytical method, making it easier to adapt to various environmental sample types without compromising accuracy.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Tackling_PAH_Analysis_in_Environmental_Samples_Overcoming_the_Challenges_with_Advanced_GC_MS_Technology_3_3_539d6ad458.jpg" alt="Thermo Fisher Scientific: Figure 2: Examples of Average Response Factor calibration curve for some of the 19 PAHs analyzed, (from left to right: Naphthalene, Dibenzofuran, Phenantrene, Fluoranthene, Benzo[b]fluoranthene), Benzo[g,h,i]perylene, annotated with the %RSD. Linearity spans over 5 orders of magnitudes, from 2.5 to 20000 ng/mL." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Tackling_PAH_Analysis_in_Environmental_Samples_Overcoming_the_Challenges_with_Advanced_GC_MS_Technology_3_3_539d6ad458.jpg 245w," sizes="100vw" width="1024" height="640"></p><h4 id="h-2-sensitivity"><strong>2. Sensitivity</strong></h4><p>The system demonstrates excellent sensitivity with low instrument detection limits (IDLs) and method detection limits (MDLs) in the low picogram range. These detection limits exceed regulatory requirements, ensuring that even trace levels of PAHs are accurately quantified, providing reliable data for environmental monitoring.</p><h4 id="h-3-robustness"><strong>3. Robustness</strong></h4><p>The GCMS system maintained consistent sensitivity and peak shape over extended runs, with no significant performance degradation after 136 injections or 52 hours of continuous operation. This robustness is crucial for continuous operation of the system, allowing laboratories to run samples over an entire weekend without user intervention. This ensures high throughput and maximizes productivity.</p><h3 id="h-conclusion"><strong>Conclusion</strong></h3><p>The <strong>Thermo Scientific ISQ 7610 GC-MS</strong> system provides a comprehensive solution to the challenges of PAH analysis in environmental samples. Its advanced features, including a wide dynamic range, excellent sensitivity, and robust performance, ensure compliance with EPA Method 8270E and improved laboratory efficiency. By leveraging the benefits of combined calibration curves, laboratories can achieve accurate, reliable, and high-throughput PAH analysis.</p><blockquote><p>For more detailed information on the capabilities of this advanced GC-MS system, please visit the <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/mass-spectrometry/gas-chromatography-mass-spectrometry-gc-ms/gc-ms-systems/single-quadrupole-gc-ms.html">ISQ 7610 GC-MS product page</a>.</p><article aria-label="Tackling PAH Analysis in Environmental Samples: Overcoming the Challenges with Advanced GC-MS Technology"><div><p><strong>Visit our&nbsp;</strong><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/chromatography-&amp;-mass-spectrometry/posts/?feedView=all"><strong>LinkedIn page</strong></a><strong>: </strong>#PAHAnalysis #EnvironmentalMonitoring #GCMS</p></div></article><section><h4><strong>Adam Ladak</strong></h4><div itemprop="description">Adam Ladak is the global product marketing manager for GC quadrupole mass spectrometry at Thermo Fisher, based in the UK. He started his career working in a contracting testing lab analyzing sports supplements and horse feed for prohibited substances. He has over 20 years of experience in the analytical testing industry and has worked for leading instrument manufacturers in various roles from an application specialist to a global marketing role focused on food and environmental testing. Adam is passionate about utilizing our GCMS instrumentation to meet the customer needs and solve real world problems.</div></section></blockquote>

Tackling PAH Analysis in Environmental Samples: Overcoming the Challenges with Advanced GC-MS Technology

News from LabRulezGCMS Library - Week 12, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 24th March 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies, Shimadzu </strong>and <strong>Thermo Fisher Scientific</strong>!</p><h3><strong>1. Agilent Technologies: Fast Analysis of Human Malodor Compounds, Volatile Organic Acids by SPME and Column Backflushing</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_gc_ms_spme_voas_5994_8149en_agilent_8e03a19a0e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Human body odor is caused by the metabolism of sweat by a host of microorganisms in the human underarm. Human sweat is odorless and certain microbial species metabolize secreted sweat components into volatile, malodorous compounds. These bacterial species exist as a microbiome community. Some members of this community can enzymatically convert nonodorous components of human sweat into malodorous compounds, while others are not responsible for creating noxious smells. The human axillary hosts a wide array of bacterial species, including Corynebacterium jeikeium and Corynebacterium tuberculostearicum along with Staphylococcus aureus, Staphylococcus epidermidis and Staphylococcus hominis.<sup>1</sup> The relative population of each species within the microbiome community influences the number of malodorous compounds liberated from digested human sweat. Typically, a variety of volatile organic acids (VOAs) are produced and are comprised of long-chain fatty acids, fatty acids bound to amino acids, and sulfur-containing amino acids. However, several studies suggest that only a few, key odorants are predominately responsible for the negative human perception of body odor, which include E-3-methyl-2-hexenoic acid (E-3M2H), isovaleric acid, 3-methyl-3-sulfanylhexan-1-ol (3M3SH), and 3-hydroxy-3-methylhexanoic acid (HMHA)<sup>.2</sup></p><p>SPME is a technique invented in the early 1990s, where a fiber coated in an absorbent polymer phase is exposed to a sample, either by direct immersion or in the headspace above the sample (Figures 1 and 2).4 The target analytes are adsorbed from the sample to the phase, depending on affinity to the phase, and once reaching equilibrium, will be removed from the sample and desorbed onto the inlet of the GC. These methods of sample preparation and sample introduction have been especially useful in the analysis of low concentration compounds in volatile compounds and in decreasing the effects of heavy matrices.</p><p>Determining which GC column phase to select can be difficult when analyzing trace level aromatic compounds. Spectral deconvolution can be helpful in removing ions of coeluting compounds and in the identification of all peaks. The Agilent MassHunter Quantitative Analysis software with the Unknowns Analysis program is a tool that can be used to analyze multiple samples, deconvolute spectra, and compare retention times or retention index (RI) commercially available libraries such as NIST or user-created libraries.9 To demonstrate the benefit of combining these techniques, the application of analyzing malodor compounds was optimized to improve overall data quality and productivity.</p><h3><strong>Materials and methods</strong></h3><h4><strong>Method&nbsp;</strong></h4><p>A Gerstel <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=8&amp;search=MPS+Robotic"><strong>MPS Robotic Pro</strong></a> was installed on an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC+5975+MSD"><strong>8890 GC system with an Agilent 5975 MSD</strong></a>. The SPME headspace parameters and MS conditions are listed in Tables 1 through 4. Data were analyzed using Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=MassHunter+Unknowns+Analysis"><strong>MassHunter Unknowns Analysis</strong></a>.</p><h3><strong>Conclusion&nbsp;</strong></h3><p>The use of solid phase microextraction (SPME) is a valuable sampling technique for measuring volatile organic compounds produced by human skin commensals, especially when considering the complex sample matrix of multispecies in vitro bacterial communities. The use of a polar column phase such as an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=J%26W+DB-Wax+ultra+inert"><strong>J&amp;W DB-Wax UI</strong></a> GC column will provide better peak shape for organic acids than a nonpolar column. When switching to a more polar phase, the implementation of midcolumn backflush will help to remove unwanted high-boiling matrix contamination in the VOA sample at lower oven temperatures. This method allows for faster run times, extended column lifetimes, and reduced contamination of the MS source. The Agilent MassHunter Quantitative Analysis software with Unknowns Analysis can be used to easily deconvolute samples by searching against a commercial library or a user-created library to aid in faster sample analysis. Finally, combining SPME with midcolumn backflushing provides a major improvement in method runtimes compared to other methodologies.</p><h3><strong>2. Shimadzu: Extractable Study of Pharmaceutical Packaging and Delivery System Used for Ophthalmic Drug Product</strong></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_039_en_cd40a66c6c.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>User Benefits:</strong></p><ul><li>ASSP™ and simultaneous Scan/MRM analysis facilitates accurate qualitative identification and quantitation at trace levels</li><li>UFsweeper™ allows quicker ion transmission in the collision cellsuppressing crosstalk &amp; enables faster MRM analysis</li><li>Thermal Desorption (TD) System offers a direct sampling feature that significantly reduces extraction time and prevents the loss of VOCs</li></ul><p>Extractable and leachable (E &amp; L) studies are becoming increasingly important in the pharmaceutical industry as it is mandatory requirement from FDA during filing of the drug product. The purpose of E &amp; L studies is to identify and evaluate possible toxicological risks. E &amp; L studies in the regulatory references aim to identify traces of potential chemical substances. These substances may be harmful to patients due to their toxicity or may impact the activity of the drug product. Hence, to ensure the safety and efficacy of the drug throughout its shelf-life period, E &amp; L studies play an important role. Impact of Extractables on efficacy and safety of the drug product is presented in Figure 1.</p><h4><strong>What are Extractables and Leachables?&nbsp;</strong></h4><p><strong>Extractables</strong> are organic and inorganic chemical entities that are released from a pharmaceutical packaging / delivery system, packaging component, or packaging material of construction into an extraction solvent under laboratory conditions. [1]&nbsp;</p><p><strong>Leachables</strong> are foreign organic and inorganic chemical entities that are present in a packaged drug product because they have leached into the packaged drug product from a packaging/delivery system, packaging component, or packaging material of construction under normal conditions of storage and use or during accelerated drug product stability studies [1].</p><h3><strong>Experimental design</strong></h3><p>There are many ways by which extractable study can be designed like generating extract by maceration (solvent soaking), by reflux/Soxhlet/sealed vessel/sonication or solvent extraction (manually and automated) etc. [1] However, one can perform this study by direct heating the CCP using the technique such as TD System.&nbsp;</p><p>Physical as well as chemical properties of the sample should be considered while designing the extraction experiment. Polarity, pH and chemical components of the drug product plays an important role in the extraction process. Extractable study is performed at accelerated temperature conditions considering worst case scenario for storage of the drug product.&nbsp;</p><p>Here, we conducted extractable study at variable pH and by refluxing the CCP with solvents of different polarities. Also, TD System was utilized for the assessment of extractable study. Empty CCP designed for the storage of Ophthalmic drug product were purchased from the local resource. Using these CCP’s, multiple experiments were performed and acquired data were evaluated to identify the potential extractables. Below are the detailed explanation for Experiment A, B, C, D, E etc. Experiment A is performed by incubating CCP in aqueous solutions having different pH values and experiment B, C, D &amp; E were performed by refluxing the CCP with organic solvents of different polarities.</p><h3><strong>Mathods of analysis</strong></h3><h4><strong>Method-I:&nbsp;</strong></h4><p>In this method, seventeen standards were analyzed by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-TQ8040+NX"><strong>GCMS-TQ8040 NX</strong></a> with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=AOC-20i+autosampler"><strong>AOC-20i autosampler</strong></a>. For the method suitability, few important parameters like system suitability, linearity and LOQ precision were performed. Instrument Parameters are as mentioned below.</p><h4><strong>Conclusion</strong></h4><ul><li>The chromatographic profile of solvent reflux experiment shows higher number of extractables than aqueous incubation. Furthermore, in aqueous incubation, the content of extractables is well below the AET level. Since, placebo of the ophthalmic drug product is completely aqueous, CCP may be used for the storage.&nbsp;</li><li>Chromatographic profile from different experiments conclude that, the compounds detected in solvent extraction are different than the compounds obtained in TD analysis. Thus, additional information obtained from TD profile will further facilitate material characterization.&nbsp;</li><li>Shimadzu’s GCMS-TQ8040 NX triple quadrupole mass spectrometer provides high scan speed of 20000 amu/sec with ASSP technology which enables simultaneous SCAN/MRM analysis which is critical in E&amp;L study. The UFsweeper technology enables 800 MRMs/sec which minimizes cross-talk, enhances selectivity &amp; sensitivity.</li></ul><h3><strong>3. Thermo Fisher Scientific: Quantitation of volatile PFAS in environmental samples using SPME Arrow and Orbitrap Exploris GC</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003507_gc_orbitrap_exploris_gc_hram_pfas_an003507_na_en_a23c863bda.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>Application benefits</strong></p><ul><li>A simple and robust sample preparation for volatile PFAS based on SPME Arrow for reducing manual handling and potential contamination issues.</li><li>Sensitive and quantitative analysis of volatile PFAS in complex environmental samples using high resolution accurate mass (HRAM) that meets challenging reporting limits.</li><li>Flexible data processing using full scan HRAM to include additional points of confirmation and quickly increase scope of analysis without reanalysis.</li></ul><p>Per- and polyfluoroalkyl substances (PFAS) contain one or more alkyl radicals with all the hydrogens replaced by fluorine atoms. Traditionally, two groups of PFAS have been of the most concern and subject to control and monitoring. The first group includes ionic (or acidic) PFAS—the perfluorocarboxylic acids (perfluorooctanoic acid (PFOA)) and perfluoroalkylsulfonates (perfluorooctanesulfonic acid (PFOS))—where LC-MS-MS is the most common analytical technique. The second group includes neutral (or volatile) PFAS—the fluorotelomer alcohols1 (FTOHs) and N-substituted fluoroalkylsulfonamides (FOSAs). For this group, due to the volatility, GC-MS is the analytical method of choice and is the focus of this study.</p><p>The accurate analysis of PFAS by testing laboratories requires robust and streamlined analytical workflows. These methods must overcome the challenges of an ever-growing list of PFAS compounds, diversity of sample matrices, and demanding analytical performance requirements. Typically, a gas chromatography instrument coupled to low-resolution, nominal mass triple quadruple mass spectrometer (GC-MS/MS) has been the system of choice for the sensitive and selective detection of a wide range of target PFAS compounds. However, the development of high-resolution accurate mass (HRAM) Orbitrap mass spectrometry coupled to GC has proved to be a valuable alternative to triple quadrupole GC-MS. With HRAM mass spectrometry, the default acquisition mode is untargeted (fullscan) meaning that all the ions are acquired with high selectivity at the same time across a specified mass range, making the method setup and data acquisition simple to manage and giving the analyst the flexibility to decide on which compounds to focus. This can extend into retrospective analysis of data to evaluate for the presence/absence of other contaminants not necessarily of interest at the time of acquisition. For example, this could allow the search for other PFAS compounds beyond the target list.&nbsp;</p><p>In this study, the performance of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Orbitrap Exploris GC </strong></a>high-resolution accurate mass (HRAM) spectrometer together with the headspace solid phase micro extraction (SPME) Arrow for the quantitative analysis of volatile PFAS including FTOH, fluorotelomer acrylates (FTACs), fluorotelomer methacrylates (FTMACs), fluorotelomer iodides (FTIs), Me/Et-FOSAs, and Me/Et-FOSEs is demonstrated.</p><h3><strong>Experimental</strong></h3><p>Instrument and method setup Headspace extraction and injection of samples were performed using the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?search=TriPlus+RSH+SMART+autosampler"><strong>TriPlus™ RSH SMART autosampler</strong></a> equipped with the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=SMART+SPME+Arrow"><strong>SMART SPME Arrow</strong></a> 1.1 mm PDMS 100 µm fiber (P/N 36SA10P1-SM). Incubation and extraction were performed online followed by sample injection/ desorption. After sample injection, the SPME Arrow fiber was re-conditioned at high temperature under a nitrogen flow using an SPME conditioning station to avoid sample carryover between injections. Further details surrounding the SPME Arrow operating parameters can be found in Table 1.</p><p>A Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TRACE+1610+GC"><strong>TRACE™ 1610 GC</strong></a> equipped with a Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TraceGOLD+TG-5SilMS"><strong>TraceGOLD™ TG-5SilMS</strong></a> (30 m × 0.25 mm I.D. × 0.25 µm film) capillary column (P/N 26096-1420) was used to perform the chromatographic separation. Oven program conditions can be found in Table 1. Data acquisition was carried out in full scan analysis using an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Orbitrap Exploris GC mass spectrometer.</strong></a> Additional MS method parameters are summarized in Table 2. External mass calibration was performed prior to analysis, while characteristic ions representing column bleed were used as lock masses when scanning in EI to perform internal mass calibration. Sample acquisition and qualitative processing was performed using the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Chromeleon"><strong>Chromeleon</strong></a>™ version 7.3.2 Chromatography Data System (CDS) software. Additional screening data processing was done using Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Compound+Discoverer"><strong>Compound Discoverer</strong></a>™ software with the Thermo Scientific™ Orbitrap GC-MS HRAM Contaminants Library.</p><h3><strong>Conclusion&nbsp;</strong></h3><p>Volatile perfluoroalkyl substances (PFAS) have become a significant focus in environmental analysis due to their potential health and environmental risks. The inherent complexity of environmental samples and the need for minimal sample handing of volatile PFAS is critical in accurate quantitation and detection. The method presented utilizes a combination of HS-SPME Arrow with an Orbitrap Exploris GC to provide an efficient workflow for the analysis of PFAS compounds giving analytical advantages including:&nbsp;</p><ul><li>Minimal sample preparation and online extraction using the TriPlus RSH SMART robotic autosampler increase the sample throughput and minimize the risk of contamination. Using SPME Arrow extraction technique, good recovery of all target volatile PFAS compounds was demonstrated.&nbsp;</li><li>Full scan acquisition at high mass resolution provides targeted quantitative analysis together with non-target analysis to quickly increase the scope of analysis and screen for other compounds outside the target list.&nbsp;</li><li>Full scan acquisition facilitates versatile data processing and allows for the incorporation of additional confirmation points, including supplementary confirmation ions, spectral matching, and isotope pattern.&nbsp;</li><li>Limits of detection ranging from 0.1 to 1.4 ng/L are well below the target 5 ng/L level of PFAS compounds in complex environmental matrices.&nbsp;</li><li>Application of the method to real samples showed PFAS compounds present in all samples with some very high concentrations in crude sewage and landfill leachate.</li></ul>

News from LabRulezGCMS Library - Week 13, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 31th March 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies </strong>and<strong> Shimadzu </strong>and<strong> poster </strong>by<strong> GC Image / MDCW!</strong></p><h3><strong>1. Agilent Technologies: Navigating Global Microplastics Regulations in Drinking Water with Vibrational Spectroscopy</strong></h3><p><strong>Ensuring accurate and reliable microplastics characterization with the 8700 LDIR</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/wp_microplastics_drinking_water_regulations_8700_ldir_5994_8166en_agilent_ea9c07e61c.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Access to clean and safe drinking water is a fundamental human right and a critical public health priority. With growing concerns about environmental pollution, emerging contaminants such as microplastics have become a major focus for regulatory bodies worldwide. Microplastic particles, originating from sources such as industrial waste, packaging, and everyday consumer products, have been detected in diverse water sources, raising concerns about both their potential health risks and environmental impact.</p><p>The accurate and reliable characterization of microplastics presents significant analytical challenges due to the diversity in size, shape, and composition of these materials. Particles range from less than 20 µm to visible fragments and can exist in various forms including spheres, fibers, and irregular shapes. Microplastics are typically composed of various types of polymer, each with distinct physical and chemical properties and unique degradation histories. Because of this complexity, analyzing microplastics requires advanced analytical techniques.&nbsp;</p><p>To address these challenges, regulatory bodies and standardization organizations have actively been developing guidelines and testing methods to monitor and control microplastics contamination in drinking water. The analytical techniques used to characterize microplastics are critical in achieving accurate and reliable outcomes when studying the impact of this emerging class of contaminant. The primary techniques used to analyze microplastics fall into two categories:&nbsp;</p><ul><li><strong>Thermo-analytical methods</strong> such as thermal extraction desorption gas chromatography-mass spectrometry (TED-GC/MS) and pyrolysis-GC/MS, which provide information about polymer type and mass1&nbsp;</li><li><strong>Vibrational spectroscopy methods</strong> including Fourier transform infrared (FTIR) spectroscopy and Raman spectroscopy, which provide information about polymer type, number of particles, and size</li></ul><p>There has been an ongoing effort for several years to standardize methods for microplastic analysis using vibrational spectroscopy. These standard methods provide structured approaches that help to ensure consistent, accurate, and reproducible microplastics analysis across different laboratories and regulatory environments.&nbsp;</p><p>Three such regulatory frameworks have been established by the following bodies:&nbsp;</p><ul><li><strong>Commission Delegated Decision (EU) 2024/1441</strong>: Supplementing Directive (EU) 2020/2184 of the European Parliament and of the Council by laying down a methodology to measure microplastics in water intended for human consumption.2</li><li><strong>California Water Boards</strong>: Policy handbook establishing a standard method of testing and reporting of microplastics in drinking water, August 9, 2022.3 The policy handbook was developed in response to State of California legislation (SB1422) requiring monitoring for microplastics. As noted in the introductory text, the method is designed to "[set] forth the requirements for conducting monitoring and reporting of microplastics in drinking water." Attachment C to that document (SWB-MP1-rev1) is a Standard Operating Procedure that describes the method as relevant to IR techniques.4&nbsp;</li><li><strong>ISO/DIS 16094-2: </strong>Water Quality — Analysis of Microplastic in Water, Part 2: Vibrational spectroscopy methods for waters with low content of suspended solids including drinking water (under development).5&nbsp;</li></ul><p>ASTM WK87463 (New Test Method for Spectroscopic Identification and Quantification of Microplastic Particles in Water Using Infrared (IR) Spectroscopy) is also under development. As this method has not yet been published, it is not covered by this white paper.6</p><h4><strong>Requirements of regulatory methods</strong></h4><h5><strong>Minimum and maximum particle size&nbsp;</strong></h5><p>It is necessary to check the accuracy of any particle-sizing data generated by the analytical method used for the analysis of microplastics. The three regulatory frameworks summarized in Table 1 specify a minimum detectable particle size of 10 to 20 µm using IR spectroscopy.&nbsp;</p><p>To demonstrate the performance of the <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;search=8700+LDIR&amp;sources=GCMS_EN-ICPMS_EN"><strong>8700 LDIR</strong></a>, 10, 20, and 50 µm NIST-traceable polystyrene latex beads were measured on a low-e slide. As shown in Figure 5, particles were detected using the automated Particle Analysis workflow within the Clarity software. The method also correctly identified the type of particles, with a hit quality index (HQI) of &gt; 0.95, demonstrating the characterization capabilities of LDIR for particles as small as 10 µm. Additional details on particle sizing using gold- and aluminum-coated filters are available in other publications.8,9</p><p>As stated in Table 1, the maximum required measurement size across the three regulatory frameworks is 5 mm for particles and 15 mm for fibers per EU 2024/1441. While LDIR analyzes particles up to 500 µm, larger particles can be detected visually and measured using an Agilent <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;sources=GCMS_EN-ICPMS_EN&amp;search=Cary+630+FTIR"><strong>Cary 630 FTIR</strong></a> spectrometer fitted with a diamond attenuated total reflectance (ATR) module (Figure 6). A fast and simple method for identifying plastic debris in this size range is reported elsewhere.10</p><h4><strong>Conclusion&nbsp;</strong></h4><p>Microplastics are widespread in the environment, exhibiting significant variation in size, shape, color, and composition, which complicates their analysis. To address these challenges, current regulatory frameworks and emerging analytical methods offer flexibility in sampling equipment, instrumentation, and data analysis techniques, provided they meet the required analytical standards. The aim of the standardized methods is to improve the accuracy and comparability of microplastic assessments. In addition to thermo-analytical methods and vibrational spectroscopy techniques such as μ-FTIR and μ-Raman, quantum cascade laser-based IR technology has proven to be a suitable technique for microplastic analysis. This white paper demonstrates how an Agilent 8700 LDIR chemical imaging system combined with Agilent Clarity software meets the requirements of the three global regulatory frameworks, enabling accurate microplastics characterization. The laser-based system offers a fully automated workflow for the direct filter-based analysis of microplastics, resulting in significant time savings and higher sample throughput compared to conventional vibrational spectroscopy techniques.</p><h3><strong>2. Shimadzu: Analysis of Neutral PFAS in Ambient Air Using Thermal Desorption GC-MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00865_en_8dcbc95687.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>User Benefits:</strong></p><ul><li>A thermal desorptionGC-MS system can accurately measure quantities of volatile and semivolatile per- and polyfluoroalkyl<br>substances (PFAS) in ambient air.</li><li>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=TD-30R+thermal+desorption+system"><strong>TD-30R thermal desorption system</strong></a> can perform high-throughput analysis as it does not require solvent extraction</li></ul><p>Because of the excellent heat-resistance and water-repelling properties of per- and polyfluoroalkyl substances (PFAS), they are used in many consumable products and industrial applications. However, their resistance to degradation and concerns over their persistence in the environment and toxicity to organisms mean they are increasingly regulated throughout the world. As one of the pollution routes of PFAS, the atmospheric dispersion of PFAS exhaust gas emitted from factories using PFAS is a concern. Therefore, monitoring studies have been conducted considering the risk of long-term exposure of PFAS to the respiratory system and the spread of PFAS pollution from atmosphericdispersion of PFAS.&nbsp;</p><p>Because of the tightening of PFAS regulations, analytical methods are being developed for a variety of matrices, including water, soil, and food. While most of these methods target non-volatile (ionic) PFAS and use a liquid chromatograph-mass spectrometer (LC-MS/MS), volatile or semivolatile neutral PFAS are not easily measured by these methods, so a gas chromatograph-mass spectrometer (GC-MS) is suitable forthose compounds.&nbsp;</p><p>In this Application News, the TD-30R thermal desorption system coupled to a GC-MS system (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-QP2020+NX"><strong>GCMS-QP2020 NX</strong></a>) measured the quantities of nine volatile and semivolatile neutral PFAS (Table 1) in ambient air.</p><h4><strong>Spike-and-Recovery Test with Ambient Air&nbsp;</strong></h4><p>Standard solutions were prepared containing 10 ng of four FTOHs and 1 ng of three FTACs and two FOSAs and these standard solutions were added to the Tenax TA/Carboxen 1000 sample tubes. 20 L of ambient air was also collected at 100 mL/min. Spike-and-recovery test and repeatability results are shown in Table 5 and SIM chromatograms are shown in Fig. 3. The recovery rates were between 77 and 106 % and all concentration %RSD (n = 3) were below 8, showing generally good performance.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The TD-30R and GCMS-QP2020 NX were used to measure quantities of nine neutral PFAS in ambient air. The measurements of standards demonstrated favorable results for sensitivity, calibration curve linearity, and repeatability for all the targeted compounds. A spike-and-recovery test with ambient air also demonstrated favorable results for recovery and repeatability. Using the TD-30R during sample pretreatment allows the sampling tube to be analyzed directly without a solvent extraction, enabling high-throughput analysis.</p><h3><strong>3. GC Image / MDCW: Interactive Ion Peak Analysis and Differencing for Comparing Multidimensional Chromatography Data</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/GC_Image_MDCW_2025_Poster_0ffa92f068.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Comprehensive two-dimensional chromatography offers superior separation capabilities for complex mixtures, but the resulting data complexity necessitates advanced comparative analysis methods. A common scenario involves comparing two samples to identify similarities and differences. We demonstrate our methods through two applications including performing new peak detection (NPD) [1] for LC-MS data of peptide samples, and identifying and comparing common and unique compounds from pairs of GCxGC-MS chromatograms.</p><h4><strong>Approach 2: Ion Peak Matching&nbsp;</strong></h4><ul><li>Find bidirectional matching between detections in both chromatograms&nbsp;</li><li>Matching criteria: matched apex within RT tolerance, matching detection ion m/z or spectral match of &gt;750&nbsp;</li></ul><h5><strong>Data Set&nbsp;</strong></h5><ul><li>GCxGC-TOFMS public data set of different dark chocolates [5]. Mint-Lime and Orange flavors are used for this demonstration. The figures presented all have MintLime on the left and Orange on the right.&nbsp;</li><li>JEOL <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=24&amp;search=AccuTof+GC"><strong>AccuTof GC</strong></a>+ mass spectrometer with an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7890+GC"><strong>7890 GC</strong></a></li></ul><h5><strong>Unique Peaks Filter</strong></h5><p>Significant unique ion peaks are shown using filters:</p><ul><li>‘Unmatched’ status</li><li>SNR &gt; 150</li></ul><h5><strong>Common Peaks Filter&nbsp;</strong></h5><p>Common ion peaks are shown are shown with the ‘In Both’ filter. The figure to the left shows common peaks that have a significant response difference. Filtering was done using &gt; +200% change and &lt; -50% change.&nbsp;</p><h5><strong>Peak Comparison</strong>&nbsp;</h5><p>Common compounds are matched and allow comparison between the images. The compound response values, properties, and spectra can be viewed for both samples. Unique compounds are viewed and identified, with the SIC view used to analyze the alternate chromatogram at the RT location and ion ranges.<br>&nbsp;</p>

News from LabRulezGCMS Library - Week 14, 2025

<p><strong>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!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you brochures by <strong>Agilent Technologies, Shimadzu, </strong>application note by<strong> Thermo Fisher Scientific </strong>and poster by<strong> University of Liège / MDCW!</strong></p><h3><strong>1. Agilent Technologies: Ensure Composition, Purity, and Calorific Value</strong></h3><p><strong>Agilent natural gas analyzers</strong></p><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"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Produce Accurate, Reliable Data and Maximize Product Quality</strong></h4><p>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.</p><h5><strong>Confidently measure permanent gases and hydrocarbon content with Agilent natural gas analyzers&nbsp;</strong></h5><p>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"><strong>Agilent 8890 GC</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=990+micro+GC"><strong>990 Micro GC systems</strong></a>. Each is factory configured and chemically tested to deliver the results you need, fast, while saving you precious startup time.&nbsp;</p><p>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.</p><h4><strong>Agilent 8890 fast GC&nbsp;</strong></h4><h5><strong>Precisely analyze natural gas&nbsp;</strong></h5><p>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;</p><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><strong>Agilent 990 Micro GC&nbsp;</strong></h4><h5><strong>Precision results in seconds&nbsp;</strong></h5><p>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;</p><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><p>Additionally, the Agilent 990 Micro GC PRO is designed for online process environments and features onboard data collection, integration, and result generation.&nbsp;</p><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><strong>Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=GC+gasifier+"><strong>GC gasifier&nbsp;</strong></a></h4><h5><strong>Reliably introduce liquefied gas into your GC&nbsp;</strong></h5><p>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.</p><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><strong>Capture, analyze, and share data: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=OpenLab+CDS"><strong>OpenLab CDS</strong></a><strong> works the way you do&nbsp;</strong></h4><p>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;</p><p>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;</p><p>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;</p><p><strong>Note: </strong>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.</p><h3><strong>2. University of Liège / MDCW: Identification of Antifungal Volatile Organic Compounds (Vocs) from Streptomyces Scabiei 87-22 Using GC×GC-TOF-MS</strong></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"><strong>Full PDF for download</strong></a></li></ul><p>Plant pathogens harm food production and the economy, while synthetic fungicides pose health and environmental risks, emphasizing the need for new alternatives.<sup>1 </sup>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.<sup>2</sup>&nbsp;</p><h4><strong>Study inception</strong></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><strong>Results and discussion</strong></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><strong>Conclusion and perspectives</strong></h4><p>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.</p><h3><strong>3. Shimadzu: Gas Chromatography Detector VGA-100 / VGA-101</strong></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"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Meet the alternative with a vacuum ultraviolet (VUV) detector for Gas Chromatography</strong></h4><p>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;</p><p>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.</p><h4><strong>Gas Chromatography detection in a whole new light</strong></h4><h5><strong>VUV analysis system offers…</strong></h5><ul><li><strong>Identification performance specialized for fuel analysis</strong><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"><strong>Nexis GC-2030</strong></a> improves identi cation performance with retention index.</li></ul></li><li><strong>Full compliance with ASTM official standards</strong><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><strong>Enhanced analysis support functions</strong><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><strong>4. Thermo Fisher Scientific: Thermo Scientific Orbitrap GC-MS HRAM Flavor and Fragrances Library</strong></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"><strong>Full PDF for download</strong></a></li></ul><p>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<strong> </strong>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.</p><p>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"><strong>Thermo Scientific™ Compound Discoverer™ software</strong></a>, accurate flavor and fragrance identification can be quickly achieved. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Thermo Scientific™ Orbitrap Exploris™ GC mass spectrometers </strong></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;</p><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><p>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;</p><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><p>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"><strong>Thermo Scientific™ TraceFinder™ software</strong></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;</p><p>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.</p>

News from LabRulezGCMS Library - Week 15, 2025

<p><strong>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!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies, Shimadzu </strong>and poster by<strong> University of Copenhagen / MDCW!</strong></p><h3><strong>1. Agilent Technologies: Purity Analysis of N-Methyl Pyrrolidone (NMP) Using an Agilent 8850 GC</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_purity_analysis_n_methyl_pyrrolidone_8850_gc_5994_8126en_agilent_96dd34f254.pdf"><strong>Full PDF for download</strong></a></li></ul><p>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;</p><p>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;</p><p>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;</p><p>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"><strong>8850 GC</strong></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.</p><h4><strong>Experimental&nbsp;</strong></h4><p>All data were generated on an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8850+GC"><strong>8850 GC</strong></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"><strong>7650 ALS</strong></a>. Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=OpenLab+CDS+software"><strong>OpenLab CDS software</strong></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.</p><h4><strong>Results and discussion</strong></h4><p>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;</p><p>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;</p><h4><strong>Conclusion</strong></h4><p>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.</p><h3><strong>2. University of Copenhagen / MDCW: The evaluation of GC×GC-QTOF data by pixel-based analysis: A Tutorial&nbsp;</strong></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"><strong>Full PDF for download</strong></a></li></ul><p>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"><strong>GC×GC</strong></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"><strong>QTOFMS</strong></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.</p><h4><strong>METHODS</strong></h4><p>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.</p><h3><strong>3. Shimadzu: High Throughput HS-GC Method for Residual Solvent Analysis in Valsartan API&nbsp;</strong></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"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User benefits:</strong></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><p>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;</p><p><strong>Residual Solvent:</strong> 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;</p><ul><li><strong>Class 1 solvents</strong> 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><strong>Class 2 solvents</strong> should be limited in the drug products because of their inherent toxicity.&nbsp;</li><li><strong>Class 3 solvents</strong> are regarded as less toxic and of a lower risk to human health but those also have specified control threshold.</li></ul><p><strong>Analysis of Residual solvents:</strong> 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 technique</p><p><strong>Requirement of high throughput GC method:</strong> 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.</p><p><strong>Use of </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexis+GC-2030"><strong>Nexis GC-2030</strong></a><strong> with </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=HS-20+NX"><strong>HS-20 NX </strong></a><strong>for the high throughput method:</strong></p><p>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.</p><h4><strong>Conclusion</strong></h4><p>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.</p>

News from LabRulezGCMS Library - Week 16, 2025

<p><strong>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!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies </strong>and<strong> Shimadzu, </strong>poster by<strong> MDCW / Mane SEA PTE </strong>and technical note by<strong> Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: Determination of Polychlorinated Biphenyl (PCB) by GC/MS According to EPA Method 1628</strong></h3><p><strong>Using an Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC"><strong>8890 GC</strong></a><strong> with an Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5977C+GC%2FMSD+"><strong>5977C GC/MSD </strong></a><strong>in selected ion monitoring (SIM) mode</strong></p><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"><strong>Full PDF for download</strong></a></li></ul><p>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.</p><h4><strong>Experimental</strong></h4><p>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.</p><h4><strong>Results and discussion</strong></h4><p>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.</p><p>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.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>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.</p><h3><strong>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</strong></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"><strong>Full PDF for download</strong></a></li></ul><p>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.</p><p>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 addressed</p><p><strong>OBJECTIVE:</strong> To develop and optimize two-dimensional gas chromatography methods for the detection of CDCs and investigate their enantiomer distribution in different oolong teas.</p><h4><strong>ANALYTICAL WORKFLOW</strong></h4><ul><li>Comprehensive Two-Dimensional Gas Chromatography (GCxGC)</li><li>Heart-Cutting Two-Dimensional Gas Chromatography (GC-GC)</li></ul><h4><strong>GCxGC-qTOF/MS OPTIMISATION</strong></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><p><strong>Modulation period:</strong> amount of time between hot jet pulses Hot jet duration: length of time when the hot jet is turned on</p><h4><strong>Conclusion</strong></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><strong>GCxGC:</strong> improves detection limit due to cryogenic trapping of the modulation step.&nbsp;</li><li><strong>GC-GC:</strong> 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><strong>3. Shimadzu: High-Sensitivity Analysis of Formic Acid in Methanol Solution Using Jetanizer</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00833_en_adef055a54.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User benefits:</strong></h5><ul><li>Using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Jetanizer"><strong>Jetanizer</strong></a> as a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexis+GC-2030+FID"><strong>GC-FID</strong></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><p>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;</p><p>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.</p><p>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.</p><h4><strong>Features of the Jetanizer</strong></h4><p>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.</p><h4><strong>Measurement of Formic Acid in Methanol</strong></h4><p>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.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>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.</p><h3><strong>4. Thermo Fisher Scientific: What is the benefit of high mass resolving power on the Orbitrap Exploris GC Series?</strong></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"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Why do I need high mass resolving power from Orbitrap technology?</strong>&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><p>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"><strong>Thermo Scientific™ Orbitrap Exploris™ GC 240 mass spectrometer </strong></a>is a unique laboratory tool for targeted and discovery workflows, where screening, quantitation, compound identification, and structural elucidation applications are required.&nbsp;</p><p>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 <i>m</i>/<i>z.</i></p><h4><strong>The impact of mass resolution on selectivity for targeted analysis&nbsp;</strong></h4><p>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;</p><p>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 C<sub>15</sub>H<sub>12</sub>O<sub>3</sub> m/z = 240.0781 and dimetilan C<sub>10</sub>H<sub>16</sub>N<sub>4</sub>O<sub>3</sub> 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.</p>

News from LabRulezGCMS Library - Week 17, 2025

<p><strong>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!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application note by <strong>Agilent Technologies, </strong>poster by<strong> MDCW / UCT Prague </strong>and technical note by<strong> Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: Group-Type Analysis of Jet Fuel Using the Agilent Flow-Modulated GC×GC-FID</strong></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"><strong>Full PDF for download</strong></a></li></ul><p>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;</p><p>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;</p><p>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.</p><h4><strong>Experimental</strong></h4><h5><strong>Instrumentation</strong></h5><p>An <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=2&amp;mainauthorItems=10&amp;search=8890+GC"><strong>8890 GC×GC-FID</strong></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.</p><h4><strong>Results and discussion&nbsp;</strong></h4><h5><strong>Repeatability</strong></h5><p>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%.</p><h4><strong>Conclusion</strong></h4><p>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.</p><h3><strong>2. MDCW / UCT Prague: Challenges in data processing and evaluation of scent samples analysed by GCxGC-TOF</strong></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"><strong>Full PDF for download</strong></a></li></ul><p>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"><strong>ChromaTOF</strong></a> software in processing raw data (version 5.51.06.0 and 5.55.41_BT by Leco).</p><h4><strong>Data evaluation</strong></h4><p><strong>Three types of approaches:&nbsp;</strong></p><p>1) DA_2DCHROM [3] - automatic data alignment, anchor points not successful on such dense data&nbsp;</p><p>2) Kovats indexes – 15 manually selected peaks as references in each chromatogram, retention indexes calculation for all other peaks&nbsp;</p><ul><li>semi-automatic, not always successful, slightly subjective according to the person&nbsp;</li><li><strong>OUR CHOICE FOR MOST EXPERIMENTS&nbsp;</strong></li></ul><p>3) Target peaks – manually selected peaks (up to 300 per chromatogram)&nbsp;</p><ul><li>successful, but very time-consuming, subjective&nbsp;</li><li><strong>USEFUL FOR CERTAIN EXPERIMENTS</strong></li></ul><h4><strong>Material and methods</strong></h4><p>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"><strong>GC×GC-MS, BT-4D</strong></a>, Leco). [2]</p><h4><strong>Conclusions</strong></h4><p>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).</p><h3><strong>3. Thermo Fisher Scientific: Grant application resource: Using the </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Orbitrap Exploris GC</strong></a><strong> 240 mass spectrometer to accelerate research</strong></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"><strong>Full PDF for download</strong></a></li></ul><p>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;</p><p><strong>High-resolution, full scan mass spectrometry using Orbitrap technology provides a solution to:</strong></p><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><p>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.</p><p>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"><strong>Orbitrap Exploris GC 240 mass spectrometer system</strong></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.</p><p>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.</p><p>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.</p><h4><strong>Additional features for research applications:&nbsp;</strong></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><strong>Conclusions&nbsp;</strong></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

News from LabRulezGCMS Library - Week 19, 2025

Article

Product

Events

Webinars

Application

Academy

Video

Poster

Scientists

Plastics

Environment

Food

Water

Health

Presentation

Scientific article

Interview

Toxicology

Popularization

Science and research

Software

Covid-19

Career

Laboratories

Various

Zaměření

Type of News

Focus

A unique company dedicated to serving science helping our customers drive productivity and accelerate results. Through our premier brands – Thermo Scientific, Applied Biosystems, Invitrogen, Fisher Scientific and Unity Lab Services.

Thermo Fisher Scientific

Everything from the world of analytical chemistry in one place. We connect people in solving their problems. At Labrulez you will find all the necessary information easily, quickly and clearly. Stop searching and start finding.

LabRulez

Pittcon 2026

36th MassSpec Forum Vienna 2026

US HUPO 2026

The science of next-gen ingredients: fermentation, formulation and function

Small Size, Big Impact – High-Performance Benchtop GC and GC/MS with the Agilent 8850 GC

Dynamic Blender