<p><strong>Christmas are time of the year to celebrate and reflect on the year gone by, and to catch up with friends or family (or both). What better way to do it, than over your favourite drink (alcoholic or not). Coming from Scotland, my go-to festive tipple has always been Whisky (yes, that’s the way we spell it).&nbsp;</strong></p><p>A drink with such popularity, complexity and let’s be honest – some high price tags! Walk through any airport and marvel at the choice on offer and of course some eye watering prices. It’s a revered spirit with a history as rich as its flavor, has always been synonymous with tradition, craftsmanship, and quality. However, the increasing demand for premium whisky has led to a surge in adulteration practices, posing significant challenges for consumers and producers alike.&nbsp;</p><p>In this blog, we delve into the intricacies of whisky adulteration and explore how cutting-edge technology, specifically 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 revolutionizing the fight against counterfeit whisky and ensuring your Christmas cheer is genuine.</p><figure class="image"><img style="aspect-ratio:1024/512;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_The_Spirit_of_Christmas_Ensuring_the_Quality_and_Authenticity_of_Whisky_3_33aa2173ac.jpg" alt="Thermo Fisher Scientific: The Spirit of Christmas - Ensuring the Quality and Authenticity of Whisky" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_The_Spirit_of_Christmas_Ensuring_the_Quality_and_Authenticity_of_Whisky_3_33aa2173ac.jpg 245w," sizes="100vw" width="1024" height="512"></figure><h3 id="h-understanding-whisky-adulteration" data-uw-rm-heading="level" role="heading" aria-level="2"><strong>Understanding whisky adulteration</strong></h3><p>Whisky adulteration can take several forms, each compromising the integrity of the spirit.</p><ol><li><strong>Artificial Whisky Creation: </strong>This involves mixing various chemicals to mimic the flavor and aroma of genuine whisky. The absence of safety controls over the quality and concentration of these chemicals raises health concerns.</li><li>&nbsp;Bottles may be falsely labelled with more expensive brands or incorrect maturation periods. This type of adulteration often involves adding artificial colours or using heat to accelerate the aging process, giving the appearance of a well-aged whisky without the time investment.</li></ol><p>For the consumer its hard, or even impossible, to distinguish between a budget blended whisky and a genuinely aged single malt whisky. Furthermore, how could you tell if a whisky had been aged for 10 years or 25 years (apart from the higher price). You can see the economic motivation for the whisky fraudster.</p><h3 id="h-the-role-of-advanced-technology"><strong>The role of advanced technology</strong></h3><p>To combat these sophisticated adulteration techniques, a robust and precise analytical approach is essential. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Orbitrap Exploris GC 240</strong></a>, combined with <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/order/catalog/product/36SP03M5"><strong>headspace solid-phase microextraction (SPME Arrow)</strong></a><strong> </strong>via the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/422"><strong>Thermo Scientific TriPlus RSH SMART Autosampler</strong></a>, offers a powerful solution for the comprehensive characterization of whisky.</p><h3 id="h-workflow-for-finding-the-differences"><strong>Workflow for finding the differences</strong></h3><p>The workflow shown in figure 1 for differential analysis of whisky using the <strong>Orbitrap Exploris GC 240 mass spectrometer</strong> is straightforward yet highly effective:</p><ol><li><strong>Sample Preparation:</strong> Whisky samples (100 µl) are aliquoted directly into vials and mixed with water (900 µl). After heating, SPME Arrow was used to sample from the vial headspace, which allows for efficient extraction of volatile compounds.</li><li><strong>Chemical Profiling: </strong>The samples are analyzed in EI full scan at 120,000 mass resolving power (FWHM m/z 200) using the Orbitrap Exploris GC 240. This provides comprehensive high-resolution and accurate mass data that enables the detection of subtle differences in the chemical profiles of different whisky samples.</li><li><strong>Data Analysis: </strong>The data is processed using <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-software/multi-omics-data-analysis/compound-discoverer-software.html"><strong>Thermo Scientific Compound Discoverer software</strong></a>, which incorporates a high-resolution accurate mass flavor and fragrance library. This facilitates the identification of compounds and comparison between samples.</li></ol><figure class="image"><img style="aspect-ratio:602/257;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_The_Spirit_of_Christmas_Ensuring_the_Quality_and_Authenticity_of_Whisky_2_dbdc69f6e0.jpg" alt="Thermo Fisher Scientific: Figure 1. Workflow from left to right showing how from data acquisition in full scan we move from peak detection, to identifying unique components in a sample, to finally making a compound identification." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_The_Spirit_of_Christmas_Ensuring_the_Quality_and_Authenticity_of_Whisky_2_dbdc69f6e0.jpg 245w," sizes="100vw" width="602" height="257"></figure><h3 id="h-case-study-identifying-adulteration"><strong>Case study: identifying adulteration</strong></h3><p>In the study reported in application note 003094: “Non-targeted analysis of whisky using <strong>SPME Arrow</strong> and <strong>Orbitrap Exploris GC 240 mass spectrometer</strong>”, the differential analysis of whisky samples revealed significant insights (figure 2). The principal component analysis plot for whiskies of different age statement shows clear chemical differences between the samples. We can dive deeper into the data to see what compounds drive that difference. For instance, comparing sample 2 and sample 3 the results highlighted compounds unique to sample 2, such as higher levels of 2,3 – methyl-1-butanol and Furfural. These compounds are typically associated with Scotch malt whisky and indicate a longer and different maturation process, suggesting that sample 2 is a genuine aged whisky compared to sample 3.</p><figure class="image"><img style="aspect-ratio:602/350;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_The_Spirit_of_Christmas_Ensuring_the_Quality_and_Authenticity_of_Whisky_9d095fe6dc.jpg" alt="Thermo Fisher Scientific: Figure 2. Principal component analysis loading plot of whisky samples based on identified chemical profile from Compound Discoverer software." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_The_Spirit_of_Christmas_Ensuring_the_Quality_and_Authenticity_of_Whisky_9d095fe6dc.jpg 245w," sizes="100vw" width="602" height="350"></figure><h3 id="h-ensuring-quality-and-authenticity"><strong>Ensuring quality and authenticity</strong></h3><p>As the whisky market continues to grow, the importance of ensuring quality and authenticity cannot be overstated. Advanced analytical technologies like the <strong>Orbitrap GC-MS</strong> provide a <strong>powerful tool</strong> in the fight against whisky adulteration. By leveraging these technologies, producers can uphold the tradition and integrity of whisky, ensuring that every bottle delivers the genuine experience that consumers expect and deserve.</p><p>Whether you are a whisky enthusiast or a producer, understanding and utilizing these advanced technologies is key to preserving the heritage and quality of this beloved spirit.</p><p>So cheers, or as we say in Scotland “Slàinte Mhath” to authenticity and innovation in the world of whisky!</p><blockquote><section><h4><strong>Dominic Roberts</strong></h4><div itemprop="description">Dominic Roberts has been closely involved with the Thermo Scientific GC Orbitrap MS since its launch in 2015. He started at Thermo Fisher Scientific as a Senior Applications Specialist for the product and is currently the GC Orbitrap MS Product Marketing Manager. Dominic is an experienced analytical chemist and mass spectrometrist with more than 20 years of experience using state-of-the-art analytical systems. He has worked in both a regulatory and industrial environment with GC–MS and LC–MS systems to investigate a variety of chemicals in food, biological, and environmental samples.</div></section></blockquote>

The Spirit of Christmas: Ensuring the Quality and Authenticity of Whisky

Ionic liquid coating for stir bar sorptive extraction and its application for extraction and nontargeted screening analysis via TD-GC–Orbitrap-HRMS of pollutants in river water

<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>It’s been 10 years! Yes, in 2015 “gas chromatography” met “Orbitrap mass spectrometry” for the first time with the launch of the Thermo Scientific Q Exactive GC-MS/MS at ASMS (in St. Louis, Missouri). Over that decade of discovery, many scientists have delved into the world of volatiles analysis (yes, and semi-volatiles) using high-resolution accurate mass with Orbitrap technology. From POPs to PFAS, metabolites to microplastics, in samples ranging from meteorites to mackerel, scientists have made discoveries that have advanced our understanding of this “volatile” world.</strong></p><p>In this new blog series, <strong>GC Orbitrap Guru Series</strong>, I am catching up with some of the scientists, analysts and people behind the technology to capture their science stories and experiences with GC Orbitrap mass spectrometry.</p><p>First up is <strong>Dr Kerstin Krätschmer</strong>, Project leader NRL POPs, researcher organic contaminants group at Wageningen Food Safety Research in the Netherlands.</p><blockquote><p><strong>Name: </strong>Dr. Kerstin Krätschmer</p><p><strong>Organisation:</strong> Wageningen Food Safety Research</p><p><strong>Job title:</strong> Project leader NRL POPs, Researcher Organic Contaminants</p><p><strong>Top Applications: </strong>Food safety, chlorinated paraffins, dioxin, PFAS</p><p><strong>Years with GC Orbitrap: </strong>9</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_Dr_Kerstin_Kraetschmer_0f5a261914.jpg" alt="Thermo Fisher Scientific: GC Orbitrap Guru Series - Dr. Kerstin Krätschmer" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_Dr_Kerstin_Kraetschmer_0f5a261914.jpg 128w," sizes="100vw" width="459" height="560"></p></blockquote><h4><strong>What did you study and where?</strong></h4><p>I studied food chemistry at Wuppertal University, which is known as Germany’s greenest city (I said you would learn something!). This was followed by legal training to gain state certification as a food chemist. My PhD focused on the analysis of polychlorinated alkanes, back then still known as chlorinated paraffins, at the European Union Reference Laboratory (EURL for POPs) in Freiburg, in cooperation with the University of Hohenheim (Stuttgart, Germany).</p><h4><strong>What was your first scientific job? (You actually got paid to do science?)</strong></h4><p>Haha, that was actually my PhD position – first with half pay, then later a full job as a lab manager position but did not involve much managing beyond my own lab work for quite a while. Though I did like working at the EURL POPs for the chance to network across all EU and associated states, and even the fiddly bits where you have to figure out why some customs department won’t let the proficiency test sample pass through! &nbsp;To balance the regulatory and networking activities, the aspect I liked most about this role was that there were plenty of opportunities for testing new instruments and methods.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_Dr_Kerstin_Kraetschmer_in_the_lab_54e03d8d4b.jpg" alt="Thermo Fisher Scientific: GC Orbitrap Guru Series - Dr. Kerstin Krätschmer" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_Dr_Kerstin_Kraetschmer_in_the_lab_54e03d8d4b.jpg 245w," sizes="100vw" width="1024" height="231"></p><h4><strong>What was the first mass spectrometer technology that you used?</strong></h4><p>Like most scientists I know, it was at university, we had a lab course module on instrumental analysis, where they let us, students, try out a wide range of technologies, though only under strict supervision. The first MS that I really got into on my own was the Q Exactive GC-MS/MS &nbsp;that I used for my PhD work. Keeping with the university tradition, and after almost five years of ups and downs, I named her Betty (Don’t ask why). 🙂</p><h4><strong>When did you first use GC Orbitrap MS and for what application?</strong></h4><p>That must have been 2016/2017, and then for setting up my method for polychlorinated alkane analysis, because those analytes are so complex, the full scan high-resolution data is the only way to go with them for academic purposes.</p><h4><strong>Why did you need GC Orbitrap for polychlorinated alkanes?</strong></h4><p>At some point, we calculated that the minimum needed mass resolution to avoid interferences was way beyond 20,000 resolving power; if you also wanted to look at other contaminants in the same sample, the resolution had to be even higher. The 120,000 resolving power available on the Q Exactive GC-MS/MS provided us with that analytical power that enabled us to see what otherwise would have been impossible.</p><h4><strong>What surprised you most about GC Orbitrap?</strong></h4><p>I was really surprised when I first saw the physical size of the Orbitrap part and realised just how tiny the actual Orbitrap is! You see this large box hiding the MS part of the instrument and automatically think this must all be this super-fancy detector, but then it fits comfortably into the palm of your hand. Mind-blowing!</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_GC_Orbitrap_946e0893e7.jpg" alt="Thermo Fisher Scientific: GC Orbitrap" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_GC_Orbitrap_946e0893e7.jpg 245w," sizes="100vw" width="967" height="617"></p><h4><strong>How does GC Orbitrap help answer your scientific questions? What would you like to see improved? (be honest)</strong></h4><p>Today, with the ever-growing list of contaminants to be monitored and analyzed in food samples, we try to combine methods as much as possible. One such methods runs on the GC-Orbitrap, for two reasons: we can monitor many more target compounds than targeted methods such as GC-MS/MS, thanks to full scan mode, and ddMS² allows us to add some non-target screening on top, in case we’ve missed some new and upcoming contaminant that is not yet on our radar! Of course, all that doesn’t come without a pay-off: the more broadly you try to work, the less sensitive you are. So, a bit higher ionization efficiency or any other modification allowing for an increase in sensitivity without sacrificing too much mass resolution would be on my wish list.</p><h4><strong>And finally…What is the best conference venue you have been to and why?&nbsp;</strong></h4><p>Oh, there were so many! I think I’ll have to go with Vancouver, BC, Canada, though. The 2017 Dioxin conference in Vancouver was my first international (and, indeed, trans-Atlantic!) conference as a presenter, and it was the 250th anniversary of Canada that year! British Columbia is a culturally rich area with unbelievable variety in nature as soon as you leave the cities, but the vibrancy of the people there was what made the stay unique.</p><p>That’s a wrap (or blog actually). We’re thrilled to have had the opportunity to chat with Kerstin for my first subject of this series, GC Orbitrap Guru. I have to admit that I share your “wow” moment on both Vancouver and the physical size of the Orbitrap! I am on the hunt for other GC Orbitrap people, so if you would like to tell your story or just to share your GC Orbitrap stories with us, please reach out to me at dominic.roberts@thermofisher.com</p><blockquote><p><strong>Thirsty for more? Please take a look at the </strong><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/mass-spectrometry/gas-chromatography-mass-spectrometry-gc-ms/gc-ms-systems/high-resolution-accurate-mass-gc-ms.html?erpType=Global_E1"><strong>Thermo Scientific Orbitrap Exploris GC</strong></a></p></blockquote>

GC Orbitrap Guru Series: Dr. Kerstin Krätschmer

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