News from LabRulezGCMS Library - Week 12, 2025

Determination of carbon dioxide by gas chromatography using an electron capture detector for the analysis of greenhouse gases: A comparison and validation with the standard method

<p><strong>In the week from March 24, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Shimadzu Corporation: All About ICP-MS And FTIR: Essential Insights And Practical Applications</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 08:30 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4886">Registration</a></li></ul><p>Discover how Shimadzu’s advanced FTIR and latest ICP-MS technologies enable precise molecular and elemental analysis across a variety of samples.</p><h5><strong>2. Agilent Technologies: Advance Your Raw Material ID: How Handheld Raman Can Verify Materials Through Opaque Packaging</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 09:30 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4556">Registration</a></li></ul><p>We will discuss Agilent's handheld Vaya and mobile RapID solutions as well as demonstrate the Vaya's capabilities.</p><h5><strong>3. Syft Technologies: Selected Ion Flow Tube: Mass Spectrometry and its Applications</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 11:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4835">Registration</a></li></ul><p>We would like to invite you to a webinar dedicated to mass spectrometry topic and its applications. During the meeting, modern mass spectrometry techniques will be discussed.</p><h5><strong>4. Agilent Technologies: Advanced Optimization Techniques for GC Methods</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 11:30 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4857">Registration</a></li></ul><p>During the third session of the GC and GC/MS: Theory, Maintenance, and Optimization Webinar Series, we will present the basics of hardware including set-up, function and key components.</p><h5><strong>5. Agilent Technologies: GC Method Development from Beginner to Expert</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 17:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4515">Registration</a></li></ul><p>This presentation will go over building a GC method. We will discuss what to consider, where to start, and what to optimize.</p><h5><strong>6. GERSTEL: Extractables and Leachables: Overcoming Analytical Challenges with GC-MS</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 19:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4861">Registration</a></li></ul><p>Join Jack Stuff, Ph.D (GERSTEL, Inc.) and Michael Louis (Jordi Labs), for presentations on GC-MS techniques for Extractables and Leachables (E&amp;L) studies.</p><h5><strong>7. Agilent Technologies: Analysis of Volatile Organic Compounds Including Epichlorohydrin by GC/MS According to Directive (EU) 2020/2184</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 14:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4716">Registration</a></li></ul><p>A comprehensive methodology for the detection and quantification of VOCs including epichlorohydrin in water samples utilizing GC/MS is presented.</p><h5><strong>8. LECO: Upgrading your GCxGC Toolbox for Fuels Analysis</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4747">Registration</a></li></ul><p>This webinar covers LECO's hardware and software for analyzing petroleum products like aviation fuel, diesel, pyrolysis oil, and crude oil.</p><h5><strong>9. Agilent Technologies: GCMSD: Preventive Maintenance And Troubleshooting</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 12:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4858">Registration</a></li></ul><p>During the fourth and final part of the GC and GC/MS Webinar Series, we will present the main preventive maintenance operation as well as how to keep your instrument up and running to its maximal capacities.</p><h5><strong>10. Thermo Fisher Scientific: GC-MS Solutions to Emerging Persistent Organic Pollutants</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4906">Registration</a></li></ul><p>Join us virtually for an insightful webinar where our applications specialists will discuss various approaches to emerging persistent organic pollutants (POPs) analysis.</p><h5><strong>11. Agilent Technologies: Elimination of Second Surface Reflections in a UV-Vis-nir Reflectance Measurement</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 19:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4891">Registration</a></li></ul><p>Join our webinar and learn how to eliminate second surface reflections in reflectance measurements for accurate results. Explore key principles &amp; live demonstrations.</p>

Webinars LabRulezGCMS Week 13/2025

<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

New strategies for non-targeted quantification in comprehensive two-dimensional gas chromatography: The potential of reconstructed TIC response factor surfaces

<p><strong>In the week from March 31, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Phenomenex: SPE Sorbent Quest: Discovering the Ideal Solution</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, April 1, 2025, 18:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4917">Registration</a></li></ul><p>Learn how to select the ideal SPE sorbent based on your analytes and impurities.</p><h5><strong>2. Shimadzu Corporation: Monitoring PFAS in Drinking Water with Point of Use Filtration Devices: Trusted Tap</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, April 3, 2025, 20:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4838">Registration</a></li></ul><p>This webinar will be about using commercially available point-of-use (POU) filters as passive monitoring devices.</p><h5><strong>3. Thermo Fisher Scientific: Transforming Hydrocarbon Analysis with GC-VUV Technology</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, April 8, 2025, 18:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4933">Registration</a></li></ul><p>Join us for an insightful webinar to discover how Vacuum Ultraviolet (VUV) technology is transforming GC analysis of complex mixtures, delivering significant benefits to your laboratory operations.</p><h5><strong>4. Thermo Fisher Scientific: Analytical challenges and the effective management of nitrosamines: The evolving landscape of NDSRI analysis</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, April 9, 2025, 08:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4864">Registration</a></li></ul><p>In this online seminar we will present and discuss nitrite in excipients, nitrite and NDSRI analysis methods and challenges, NDSRI risk assessment, and a comprehensive and industry-accessible NDSRI database.</p>

Webinars LabRulezGCMS Week 14-15/2025

<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

Injection artifacts in odorant analysis by gas chromatography

<p><strong>In the week from April 7, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Thermo Fisher Scientific: Transforming Hydrocarbon Analysis with GC-VUV Technology</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, April 8, 2025, 18:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4933">Registration</a></li></ul><p>Join us for an insightful webinar to discover how Vacuum Ultraviolet (VUV) technology is transforming GC analysis of complex mixtures, delivering significant benefits to your laboratory operations.</p><h5><strong>2. Agilent Technologies: Convert Your Deconvoluted AMDIS Libraries to *.L or Editable *.mslibrary.xml Formats to Use in MassHunter Library Searches</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, April 8, 2025, 20:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4957">Registration</a></li></ul><p>Join this webinar and learn a step-by-step process to convert an AMDIS library to *.L and or *.mslibrary.xml formats and how to create a deconvoluted library from MassHunter Unknowns Analysis.</p><h5><strong>3. Thermo Fisher Scientific: Analytical challenges and the effective management of nitrosamines: The evolving landscape of NDSRI analysis</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, April 9, 2025, 08:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4864">Registration</a></li></ul><p>In this online seminar we will present and discuss nitrite in excipients, nitrite and NDSRI analysis methods and challenges, NDSRI risk assessment, and a comprehensive and industry-accessible NDSRI database.</p><h5><strong>4. Agilent Technologies: A Look at the New MassHunter 13 Interface</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, April 10, 2025, 20:00 CEST</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4958">Registration</a></li></ul><p>Join this webinar and learn what project-based organization is and the features located in the new interface (including Optimizer and RTL).</p>

Webinars LabRulezGCMS Week 15/2025

<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>

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