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;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;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">Thermo Scientific Orbitrap Exploris GC 240 mass spectrometer</a>, is revolutionizing the fight against counterfeit whisky and ensuring your Christmas cheer is genuine.<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">Understanding whisky adulteration</h3>Whisky adulteration can take several forms, each compromising the integrity of the spirit.<ol><li>Artificial Whisky Creation: 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>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.<h3 id="h-the-role-of-advanced-technology">The role of advanced technology</h3>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">Orbitrap Exploris GC 240</a>, combined with <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/order/catalog/product/36SP03M5">headspace solid-phase microextraction (SPME Arrow)</a> via the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/422">Thermo Scientific TriPlus RSH SMART Autosampler</a>, offers a powerful solution for the comprehensive characterization of whisky.<h3 id="h-workflow-for-finding-the-differences">Workflow for finding the differences</h3>The workflow shown in figure 1 for differential analysis of whisky using the Orbitrap Exploris GC 240 mass spectrometer is straightforward yet highly effective:<ol><li>Sample Preparation: 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>Chemical Profiling: 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>Data Analysis: 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">Thermo Scientific Compound Discoverer software</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">Case study: identifying adulteration</h3>In the study reported in application note 003094: “Non-targeted analysis of whisky using SPME Arrow and Orbitrap Exploris GC 240 mass spectrometer”, 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.<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">Ensuring quality and authenticity</h3>As the whisky market continues to grow, the importance of ensuring quality and authenticity cannot be overstated. Advanced analytical technologies like the Orbitrap GC-MS provide a powerful tool 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.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.So cheers, or as we say in Scotland “Slàinte Mhath” to authenticity and innovation in the world of whisky!<blockquote><section><h4>Dominic Roberts</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

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 7th April 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you brochures by Agilent Technologies, Shimadzu, application note by Thermo Fisher Scientific and poster by University of Liège / MDCW!<h3>1. Agilent Technologies: Ensure Composition, Purity, and Calorific Value</h3>Agilent natural gas analyzers<ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/br_nga_gc_analyzer_5994_8260en_agilent_1_6070086f28.pdf">Full PDF for download</a></li></ul><h4>Produce Accurate, Reliable Data and Maximize Product Quality</h4>Before it can be sold, natural gas must meet specifications for calorific value and purity. Accordingly, collection, processing, transmitting, and distribution require an array of analytical capabilities.<h5>Confidently measure permanent gases and hydrocarbon content with Agilent natural gas analyzers&nbsp;</h5>Agilent natural gas analyzers (NGAs) are based on <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC">Agilent 8890 GC</a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=990+micro+GC">990 Micro GC systems</a>. Each is factory configured and chemically tested to deliver the results you need, fast, while saving you precious startup time.&nbsp;Choose from standard or extended configurations, or for a solution for sour natural gas. Our ability to create custom analyzers, along with specialty hardware and modifications, allows you to customize a natural gas analyzer for your specific needs.<h4>Agilent 8890 fast GC&nbsp;</h4><h5>Precisely analyze natural gas&nbsp;</h5>Separating complex mixtures of hydrocarbons and permanent gases (oxygen, nitrogen, and carbon dioxide) can be difficult on a single-channel GC. The Agilent 8890 natural gas analyzer is configured for one or two channels and conforms to ASTM D1945, GPA 2261, and GPA 2286 methods.&nbsp;<ul><li>A second thermal conductivity detector (TCD) channel improves hydrogen detection and linearity.&nbsp;</li><li>Optional flame ionization detector (FID) enables low-level hydrocarbon analysis.&nbsp;</li><li>Customized reporting simplifies data review and processing. OpenLab CDS reporting provides calculations in mole, weight, or volume percentages, and calculated heat content. It also offers the calorific value add-on.</li></ul><h4>Agilent 990 Micro GC&nbsp;</h4><h5>Precision results in seconds&nbsp;</h5>Agilent 990 Micro GC natural gas analyzers cover key GPA, ISO, and GB/T methods, and they provide accurate compositional data and calculated physical properties. Their small size and mobility make them ideal for labs, pilot plants, and field work—delivering the information you need anytime, anywhere.&nbsp;<ul><li>Ready-to-go configuration and methods include proven hardware and software.&nbsp;</li><li>Reporting is based on standardized GPA, ISO, and GB/T calculation methods.</li><li>Options include sample pressure reduction, filtering, and automated stream selection valves.&nbsp;</li><li>Natural gas odorant monitoring is available in an optional extra channel.&nbsp;</li></ul>Additionally, the Agilent 990 Micro GC PRO is designed for online process environments and features onboard data collection, integration, and result generation.&nbsp;<ul><li>Control processes by directing automatic user-defined information to an external system.&nbsp;</li><li>Eliminate the need for an external computer by using our onboard setup feature.&nbsp;</li><li>Meet industry standards with confidence through various communication protocols, such as Modbus, FTP, and 4-20 mA.&nbsp;</li><li>Enable online monitoring of calorific value and odorants (such as THT or DMS).&nbsp;</li><li>Deliver quick analysis of dissolved gases in mud-logging during drilling operations that need to be constantly monitored.</li></ul><h4>Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=GC+gasifier+">GC gasifier&nbsp;</a></h4><h5>Reliably introduce liquefied gas into your GC&nbsp;</h5>The Agilent GC gasifier accessory safely controls the transition of liquefied gas to a gaseous state without discrimination or adsorption due to its inert flow path. So you can feel confident that the sample in the line is the sample being analyzed.<ul><li>Samples are delivered to the GC system under constant flow and pressure.&nbsp;</li><li>Control and monitor the gasifier with ease through the GC user interface.&nbsp;</li><li>Seamlessly switch between two samples—or one sample plus a calibration standard or purge gas.&nbsp;</li><li>Purge N2 gas without the need to disconnect samples</li></ul><h4>Capture, analyze, and share data: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=OpenLab+CDS">OpenLab CDS</a> works the way you do&nbsp;</h4>OpenLab CDS is a chromatography data system that combines productivity, usability, and the highest level of data integrity. With a single user interface, you can control your Agilent LC, GC, Micro GC, single quadrupole LC/MS, and GC/MS, as well as other vendors’ instruments in the lab, to streamline training and support. Built-in tools provide time-saving steps in analysis, interpretation, and reporting workflows while technical controls ensure work quality, effective records management, and enhanced data security.&nbsp;Reporting for natural gas analyzers (as with refinery gas analyzers) can be done through OpenLab CDS with the built-in NGA/RGA reporting tool or through Diablo Analytical, which can take data from OpenLab CDS, ChemStation or EZChrom.&nbsp;The OpenLab reporting feature for NGA lets you generate a custom calculation file, a constants file, and a report template for conditions defined in GPA, ASTM, or ISO standards. FPS (foot-pound-second)- based calculations (Btu) are used by GPA, ASTM, and other organizations in the United States. Metric-based calculations (meter-kilogram-second) are used for reporting natural gas composition and physical property calculations according to ISO 6976 for EU and GB/T 11062 for China.&nbsp;Note: Optionally the 990 Micro GC can be equipped with a PRO license. In this process-mode, which is usually highly automated and unattended, the instrument communicates compositional analysis results and calculated physical property data directly to a remote process computer. All data is handled on board (via browser-based access), and this does not require OpenLab CDS.<h3>2. University of Liège / MDCW: Identification of Antifungal Volatile Organic Compounds (Vocs) from Streptomyces Scabiei 87-22 Using GC×GC-TOF-MS</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Poster_Djulia_Bensaada_workshop_a1731538ea.pdf">Full PDF for download</a></li></ul>Plant pathogens harm food production and the economy, while synthetic fungicides pose health and environmental risks, emphasizing the need for new alternatives.1 Streptomyces scabiei 87-22 shows promises by producing antifungal volatile organic compounds (VOCs). This study seeks to identify the VOCs responsible for their antifungal effects, with the aim to open the door to developing environmentally friendly biofungicides.2&nbsp;<h4>Study inception</h4><ul><li>In vitro experiments were conducted on Alternaria solani, Gibberella zeae, and Penicillium sp. NS1 to assess antifungal activity</li><li>Different growth conditions of Streptomyces scabiei 87-22 were evaluated</li><li>using five culture media: MHB, LB, TSB, ISP2, and ISP6&nbsp;</li></ul><h4>Results and discussion</h4><ul><li>20 Antifungal VOCs were identified in the different samples</li><li>VOCs production depend on the culture media</li><li>Some VOCs are inherent to the culture media</li><li>Non targeted approach is needed&nbsp;</li></ul><h4>Conclusion and perspectives</h4>Out of 25 identified VOCs, 4 demonstrated antifungal activity in vitro, highlighting their potential as antifungal agents. Conduct antifungal tests on the remaining 19 VOCs to fully evaluate their potential. Extend the study to a broader range of bacterial strains to assess their antimicrobial spectrum.<h3>3. Shimadzu: Gas Chromatography Detector VGA-100 / VGA-101</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c180_e102_01f0ccb1eb.pdf">Full PDF for download</a></li></ul><h4>Meet the alternative with a vacuum ultraviolet (VUV) detector for Gas Chromatography</h4>The VUV (Vacuum Ultraviolet) detector is designed to collect absorption spectrum of compounds eluted from GC in the wavelength range of 120 nm to 240 nm (vacuum ultraviolet region). It consists of a deuterium lamp, ¬ow cell, grating device and detection device. Hydrocarbons, such as fuels, have strong absorption in the range of 115 nm to 185 nm (due to σ→σ* and π→→π* transitions), making the VUV detector an ideal choice for fuel analysis.&nbsp;The VUV wavelength region is typically characterized by signi cant background absorption. Traditionally, very high-energy photons generated by a synchrotron facilities were used to obtain VUV spectrum. The VGA-100/101 VUV detector minimizes background absorption to an exceptional degree, enabling easy acquisition of VUV spectrum.<h4>Gas Chromatography detection in a whole new light</h4><h5>VUV analysis system offers…</h5><ul><li>Identification performance specialized for fuel analysis<ul><li>Full spectrum detection in the vacuum ultraviolet (VUV) wavelength region enhances identi cation performance of various hydrocarbon compounds.</li><li>Excellent oven performance of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=nexis+gc-2030">Nexis GC-2030</a> improves identi cation performance with retention index.</li></ul></li><li>Full compliance with ASTM official standards<ul><li>A multi-method architecture that allows testing of different fuels and methods on the same analyzer without changing hardware.</li><li>Dedicated spectral libraries for various ASTM of cial methods</li></ul></li><li>Enhanced analysis support functions<ul><li>Time Interval Deconvolution™ (TID™) to easily deconvolve co-eluting analytes.</li><li>Push-button, automated data analysis and reporting using VUV Analyze™ Software.</li></ul></li></ul><h3>4. Thermo Fisher Scientific: Thermo Scientific Orbitrap GC-MS HRAM Flavor and Fragrances Library</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_003097_gc_orbitrap_gc_ms_flavor_fragrances_ps003097_na_en_206f484d12.pdf">Full PDF for download</a></li></ul>Flavors and fragrances analysis aims to give a comprehensive characterization of samples to determine their origin (natural or synthetic), assess their quality, ensure product consistency, and comply with regulatory standards. This analysis is crucial for industries such as food, beverages, cosmetics, and perfumery to develop and maintain consistent product formulations and control. With such a high number of possible compounds, a library is an essential tool to support compound identification within a fast time frame. The Thermo Scientific™ Orbitrap™ GC-MS Flavor and Fragrances Library is a high-resolution, accuratemass (HRAM) spectral library for electron ionization (EI) GC-MS. It contains 411 compounds, which cover over eleven different chemical classes.When used in combination with powerful Orbitrap technology and data processing tools such as <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1759">Thermo Scientific™ Compound Discoverer™ software</a>, accurate flavor and fragrance identification can be quickly achieved. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472">Thermo Scientific™ Orbitrap Exploris™ GC mass spectrometers </a>provide unique advantages for flavor and flagrance analysis over alternative instrumental techniques. Orbitrap technology allows analytical chemists to gain data certainty and achieve unprecedented selectivity using a full-scan acquisition, enabling:&nbsp;<ul><li>The targeting of an unlimited number of analytes down to triple quadrupole level detection limits&nbsp;</li><li>Identification of unknowns driven by spectral matching and sub-ppm mass accuracies&nbsp;</li><li>Retrospective screening of compounds not known to be of interest at time of acquisition</li></ul>Furthermore, the consistent sub-ppm mass accuracy delivered by the system, regardless of peak intensity, allows for confident targeting of compounds within narrow mass accuracy windows. The Thermo Scientific Orbitrap GC-MS Flavor and Fragrances Library enables a rapid and customizable set-up of a screening method, which allows users to quickly implement this powerful technology. Included in this Library are:&nbsp;<ul><li>High-resolution, accurate-mass spectral library acquired at 60,000 mass resolving power (FWHM m/z 200)&nbsp;</li><li>Spectra for 411 flavor compounds across eleven categories refined and curated with elemental composition of each EI fragment verified (Figure 1)&nbsp;</li><li>Compound information list showing chemical categories, odors, rendition index values, and GC column types used&nbsp;</li><li>Kovats retention index entries&nbsp;</li><li>Can be used in combination with existing unit mass libraries.&nbsp;</li></ul>The Orbitrap GC-MS Flavor and Fragrances Library can be used to quickly apply the theoretical masses for each analyte into a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/77">Thermo Scientific™ TraceFinder™ software</a> fullscan screening or quantitation processing method. Also included for each compound is an accurate mass reference spectrum acquired on an Orbitrap GC-MS system at 60,000 resolving power.&nbsp;This spectral library can be used as a standalone reference or in conjunction with the unknowns screening functionality of Compound Discoverer software (Figures 2 and 3) or TraceFinder software. Each software utilizes chromatographic deconvolution followed by accurate mass spectral library search to identify untargeted compounds.

News from LabRulezGCMS Library - Week 15, 2025

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.In this new blog series, GC Orbitrap Guru Series, 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.First up is Dr Kerstin Krätschmer, Project leader NRL POPs, researcher organic contaminants group at Wageningen Food Safety Research in the Netherlands.<blockquote>Name: Dr. Kerstin KrätschmerOrganisation: Wageningen Food Safety ResearchJob title: Project leader NRL POPs, Researcher Organic ContaminantsTop Applications: Food safety, chlorinated paraffins, dioxin, PFASYears with GC Orbitrap: 9<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"></blockquote><h4>What did you study and where?</h4>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).<h4>What was your first scientific job? (You actually got paid to do science?)</h4>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.<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"><h4>What was the first mass spectrometer technology that you used?</h4>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). 🙂<h4>When did you first use GC Orbitrap MS and for what application?</h4>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.<h4>Why did you need GC Orbitrap for polychlorinated alkanes?</h4>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.<h4>What surprised you most about GC Orbitrap?</h4>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!<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"><h4>How does GC Orbitrap help answer your scientific questions? What would you like to see improved? (be honest)</h4>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.<h4>And finally…What is the best conference venue you have been to and why?&nbsp;</h4>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.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<blockquote>Thirsty for more? Please take a look at the <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">Thermo Scientific Orbitrap Exploris GC</a></blockquote>

GC Orbitrap Guru Series: Dr. Kerstin Krätschmer

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 21st April 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies and Shimadzu, poster by MDCW / Mane SEA PTE and technical note by Thermo Fisher Scientific!<h3>1. Agilent Technologies: Determination of Polychlorinated Biphenyl (PCB) by GC/MS According to EPA Method 1628</h3>Using an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC">8890 GC</a> with an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5977C+GC%2FMSD+">5977C GC/MSD </a>in selected ion monitoring (SIM) mode<ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_pcbs_gcms_epa_method_1628_5994_8056en_agilent_1_dcb1461047.pdf">Full PDF for download</a></li></ul>PCBs are synthetic compounds belonging to the chlorinated hydrocarbon family. Historically, PCBs were extensively used in various industrial applications, including electrical components, plasticizers, and pigments and dyes. However, due to their environmental persistence and potential health risks, their use was banned in 1979 under the Toxic Substances Control Act (TSCA). Classified as POPs, PCBs resist degradation and are known to bioaccumulate in aquatic life according to the EPA.1 In response to the need for effective monitoring of PCBs, the EPA has developed method 1628, which employs low-resolution mass spectrometry in SIM mode.2 This method is the first to measure all 209 individual PCB congeners, calibrating for 65 PCBs and screening for the remaining 144 congeners. The method includes 29 labeled PCB surrogates and three labeled PCBs as internal standards for analytical accuracy. In this application note, an 8890 GC with a 5977C GC/MSD was used to analyze PCBs in sand and soil, meeting all requirements for EPA method 1628.<h4>Experimental</h4>An 8890 GC with a 5977C GC/MSD was used for this work. The 8890 GC was configured with mid column backflush to prolong column lifetime. Detailed method parameters were set according to EPA method 1628 and are shown in Tables 1 to 3.<h4>Results and discussion</h4>Example chromatograms are shown in Figures 1 and 2. Figure 1 shows the separation of the 65 calibrated PCB congeners and the 32 labeled PCB congeners at 50 and 40 ppb, respectively. The analytical separation of all 209 PCB congeners and 32 labeled PCB congeners at 50 and 40 ppb is shown in Figure 2.Per the method requirements for EPA method 1628, PCB congeners 28 and 31 must be chromatographically separated. The valley of the two peaks must be less than 80% of the height of the smaller peak, which is demonstrated in Figure 3. The method also requires that PCB congener 118 at 10 ppb has a signal to noise ratio (S/N) greater than or equal to 3:1. Figure 4 shows successfully meeting this method criteria with a S/N of 6.1 for PCB congener 118 at 10 ppb.<h4>Conclusion&nbsp;</h4>An Agilent 8890 GC with an Agilent 5977C GC/MSD was successfully used to analyze PCB congeners according to EPA method 1628. This method uses low-resolution SIM mode to quantitate 65 congeners while being able to see all 209 native congeners. All method requirements were met, including for linearity, resolution, and sensitivity.<h3>2. MDCW / Mane SEA PTE: Unraveling The Distribution and Enantiomer Ratio of Selected Carotenoid-derived Aroma Compounds In Oolong Tea Using MD-GC Coupled with MS</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Poster_14_13587ac212.pdf">Full PDF for download</a></li></ul>Carotenoid-derived compounds (CDCs) are important contributors to the xcharacteristic flavour of oolong tea. These compounds can exist in different xisomeric forms that have similar structural, physical and chemical but different sensory properties, making their differentiation difficult but important.However, the analysis of these carotenoid-derived compounds and determination of their enantiomeric distributions in tea is challenging due to their low concentrations and wide variability. In consideration of their impact on sensory perception, these challenges faced in their detection and quantification need to be addressedOBJECTIVE: To develop and optimize two-dimensional gas chromatography methods for the detection of CDCs and investigate their enantiomer distribution in different oolong teas.<h4>ANALYTICAL WORKFLOW</h4><ul><li>Comprehensive Two-Dimensional Gas Chromatography (GCxGC)</li><li>Heart-Cutting Two-Dimensional Gas Chromatography (GC-GC)</li></ul><h4>GCxGC-qTOF/MS OPTIMISATION</h4><ol><li>Continuous cold jet to trap the analytes at the head of the 2D column&nbsp;</li><li>Pulsed hot jet set at a fixed interval to release the trapped analytes&nbsp;</li></ol>Modulation period: amount of time between hot jet pulses Hot jet duration: length of time when the hot jet is turned on<h4>Conclusion</h4><ul><li>The modulation period determines the time when the compounds are allowed to separate on 2D and should be optimized to avoid wrap-around of peaks while efficiently utilizing the separation space. On the other hand, hot jet duration determines the amount of compounds entering the 2D.&nbsp;<ul><li>The optimized parameters for modulation period (14 s) and hot jet duration (350 μs) were used.&nbsp;</li></ul></li><li>MD-GC can overcome the challenges faced by conventional GC in the separation of complex tea matrices.&nbsp;<ul><li>GCxGC: improves detection limit due to cryogenic trapping of the modulation step.&nbsp;</li><li>GC-GC: removes interference from peaks of interest while improving quantification.&nbsp;</li></ul></li><li>Different cultivars and processing parameters result in different volatile compound compositions in oolong teas.</li></ul><h3>3. Shimadzu: High-Sensitivity Analysis of Formic Acid in Methanol Solution Using Jetanizer</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00833_en_adef055a54.pdf">Full PDF for download</a></li></ul><h5>User benefits:</h5><ul><li>Using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Jetanizer">Jetanizer</a> as a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexis+GC-2030+FID">GC-FID</a> nozzle makes it possible to accurately analyze formic acid in methanol solution.</li><li>The Jetanizersimply replaces the conventional GC-FID nozzle, making it easy to install and inexpensive.</li></ul>Green Transformation (GX) initiatives aim to transition from fossil fuels to green energy and balance greenhouse gas emissions reduction with economic growth. These initiatives are expected to use innovative technologies such as artificial photosynthesis, which utilizes sunlight to produce hydrogen and organic compoundsfrom water and carbon dioxide.&nbsp;Research on such artificial photosynthesis, along with the analysis of impurities in chemical products and raw materials, highlights the demand for high-sensitivity analysis of formic acid. A simple method for analyzing formic acid is gas chromatography (GC), where a TCD detector is used for highconcentration samples, and a BID detector is used for lowconcentration samples. Unfortunately, the FID detector, a general-purpose detector, lacks sensitivity to formic acid. However, by replacing the FID detector with a Jetanizer (In-Jet type methanizer) that contains a catalyst in the FID nozzle and adjusting the analysis conditions, high-sensitivity measurement of formic acid at the ppm level becomes possible.This Application News presents an example of the highsensitivity analysis of formic acid contained in a methanol solvent using Jetanizer as the GC-FID nozzle.<h4>Features of the Jetanizer</h4>The Jetanizer is a compact FID-Jet type methanizer that contains a catalyst filled inside (Fig. 1). As a result, it enables the detection of CO and CO2, which cannot be detected by a standard FID, by reducing them and converting them into methane. Additionally, the heating elements, sensors, and extra hydrogen gas supply lines previously required for methanizers are no longer necessary, allowing for direct installation and use just like a standard FID.<h4>Measurement of Formic Acid in Methanol</h4>The chromatograms of formic acid at various concentrations in methanol (1, 5, 10, 50, 100, 500, and 1000 ppm) and an enlarged view of the low concentration range are shown in Fig. 4. The calibration curve for N = 5 is presented in Fig. 5. Additionally, the overlaid chromatograms for continuous measurement at 10 ppm are shown in Fig. 6, and the RSD% of the area values for N = 5 at each concentration is provided in Table 2. Good reproducibility of the area was confirmed at each concentration.<h4>Conclusion&nbsp;</h4>High-sensitivity analysis of formic acid is essential for the impurity analysis of chemical products and raw materials, including GX. When analyzing formic acid using GC, it is necessary to select the appropriate detector based on the measurement concentration range. The method introduced here allows for the convenient analysis of formic acid by performing phosphoric acid treatment on the insert and column and utilizing a Jetanizer.<h3>4. Thermo Fisher Scientific: What is the benefit of high mass resolving power on the Orbitrap Exploris GC Series?</h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sl_003312_gc_hram_orbitrap_exploris_240_targeted_gc_sl003312_na_en_8f86e0d919.pdf">Full PDF for download</a></li></ul><h4>Why do I need high mass resolving power from Orbitrap technology?&nbsp;</h4><ul><li>Resolve target analytes from interfering compounds and matrix ions of similar mass.&nbsp;</li><li>Achieve sub-ppm mass accuracy to give data certainty in compound identification.&nbsp;</li><li>Sub-ppm mass accuracy enables narrow mass extraction windows (± 5 ppm) to give high selectivity, which in turn makes peak detection algorithms efficient.&nbsp;</li><li>Easily increase scope of analysis through full scan accurate mass data acquisition (Figure 1).&nbsp;</li><li>Quickly and confidently propose elemental compositions for the identification of unknown features.&nbsp;</li><li>Retrospective data processing of samples long after data acquisition.&nbsp;</li><li>Have high mass resolving power and sensitivity. No compromise.&nbsp;</li></ul>With resolving power of up to 240,000 and consistent sub-ppm mass accuracy, the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472">Thermo Scientific™ Orbitrap Exploris™ GC 240 mass spectrometer </a>is a unique laboratory tool for targeted and discovery workflows, where screening, quantitation, compound identification, and structural elucidation applications are required.&nbsp;High-resolution Orbitrap mass spectrometry has been available with both liquid and gas chromatography for many years and has proven to be a highly valuable analytical technique.1-4 More recently, the technology in gas chromatography moved to join the Thermo Scientific Orbitrap Exploris Mass Spectrometer series. This new platform of a benchtop hybrid quadrupoleOrbitrap mass spectrometer opens up research opportunities in a system with a significantly reduced footprint, saving both energy and raw materials. The benchtop hybrid quadrupole-Orbitrap mass spectrometer provides new possibilities for increased mass accuracy, sensitivity, and selectivity for GC-amenable compounds. Figure 2 shows how the resolving power is in the ideal range for volatile small molecules, with resolving power increasing with lowering m/z.<h4>The impact of mass resolution on selectivity for targeted analysis&nbsp;</h4>High-resolution, accurate-mass (HR/AM) experiments typically provide a full scan analysis of a sample, and for small molecule analyses, the scan range is typically 50–600 Da. Orbitrap technology provides the required selectivity to resolve the target compound from other compounds or from matrix ions of similar mass. For targeted compound analysis, the accurate mass of the diagnostic ion is extracted with a narrow mass extraction window (typically &lt; 5 ppm). This narrow window is possible only when the instrument provides sufficient mass accuracy, for which high mass resolving power is essential. However, when two mass profiles overlap, the measured mass profile is the sum of the two individual profiles. This overlap results in the incorrect assignment of the mass of the target compound. The problem is demonstrated in Figure 3, where a QuEChERS leek extract in acetonitrile was analyzed four times at resolving powers of 15K, 30K, 60K, and 120K (m/z 200).&nbsp;Being able to separate two compounds that are close in mass is one of the significant advantages of high-resolution accurate mass. This is demonstrated in Figures 4A-C where the compounds flurenol methyl ester C15H12O3 m/z = 240.0781 and dimetilan C10H16N4O3 m/z = 240.1217 were analyzed at equal intensity at three different resolving power levels of 30,000, 60,000, and 240,000. The zoomed spectra show excellent separation at all resolution levels, with improvements at 60K and 240K showing the clear benefits. When analyzed at 10:1 ratio (Figure 5), there is still good separation and mass accuracy. The latter reflects the real world where compounds will be at varying intensities, and it is essential that mass accuracy is maintained to make confident identifications.

News from LabRulezGCMS Library - Week 17, 2025

Hey everyone! Welcome to the second post in the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472">GC Orbitrap</a> Guru Series. I’m super excited to share more stories about the amazing scientists and analysts behind the tech. Now in its 10th year, GC Orbitrap has made some pretty powerful impacts over that decade of discovery and I’d like to share them with you in this blog series!In the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/article/5332">first blog</a>, we chatted with <a target="_blank" rel="noopener noreferrer" href="https://www.wur.nl/en/persons/kerstin-kratschmer.htm">Dr. Kerstin Krätschmer</a> from <a target="_blank" rel="noopener noreferrer" href="https://www.wur.nl/en/research-results/research-institutes/food-safety-research.htm">WFSR</a> about POPs analysis and her dream of visiting Vancouver again. This time, we’re heading West to the USA, specifically <a target="_blank" rel="noopener noreferrer" href="https://www.columbia.edu/">Columbia University,</a> where I had an awesome chat with Brooklynn McNeil about GC Orbitrap and exposomics Enjoy!<div><blockquote><ul><li>Name:&nbsp;Brooklynn McNeil</li><li>Organization:&nbsp;Columbia University, Mailman School of Public Health</li><li>Job title:&nbsp;Staff Associate, Irving Institute of Clinical and Translational Research, Biomarkers Core Laboratory</li><li>Top Applications: Exposomics, Persistent organic pollutants, Emerging contaminants</li><li>Years with GC Orbitrap:&nbsp;4</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_2_Brooklynn_Mc_Neil_4b57312077.jpg" alt="Thermo Fisher Scientific: GC Orbitrap Guru Series #2: Brooklynn McNeil" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_2_Brooklynn_Mc_Neil_4b57312077.jpg 234w," sizes="100vw" width="1024" height="683"></blockquote>Dominic Roberts (Interviewer):&nbsp;Today, we have the pleasure of speaking with Brooklynn McNeil, a Staff Associate at Columbia University’s Mailman School of Public Health. Brooklynn, thank you for joining us. Let’s start with your background. How did you get into the field of exposomics?Brooklynn McNeil:&nbsp;Thank you for having me! My journey began with a major in Biochemistry and Molecular Biology at the University of Georgia (UGA) and a minor in Global Health. Initially, I was on the path to medical school, but I found myself more drawn to lab research. Over time, my interests shifted towards exposomics, and I’ve been dedicated to this field for the past four years. To further my expertise, I’m also pursuing a master’s degree in Environmental Health Data Science.<h3>Getting exposed to science</h3>Dom:&nbsp;That’s fascinating. Can you tell us about your first job in the scientific field?Brooklynn:&nbsp;Sure! My first paid scientific job was at the Biosceniatic Laboratory at UGA’s New Materials Institute. There, I worked on analyzing bioplastics and their decomposition in various composting conditions. It was incredibly fulfilling to contribute to solutions for the global plastic problem and it opened my eyes to the vast potential of scientific research.Dom:&nbsp;That sounds like a significant experience. How did you transition to working with GC mass spectrometry?Brooklynn:&nbsp;My first encounter with mass spectrometry was with the Thermo Scientific Exactive GC-MS. My boss at the time humorously compared it to learning to drive in a Ferrari because of its advanced capabilities. This was during my time at Mount Sinai School of Medicine, where we conducted non-target analysis of Persistent Organic Pollutants (POPs) in human samples. Having the ability to perform non-target full scan data acquisition is really powerful as it enabled us to screen for an almost unlimited number of compounds or go back to the data and re-process to look for specific target analytes.<h3>The importance of exposomics</h3>Dom:&nbsp;How do you explain exposomics to someone who isn’t familiar with the field?Brooklynn: Exposomics is the study of the exposome, which refers to the total cumulative effect of all environmental exposures we experience throughout our lives and their biological responses. This field aims to understand and measure how different environmental factors—such as chemicals, physical agents, and biological elements—affect our health. By analyzing how these exposures interact with our genetics, lifestyle, and other personal factors, exposomics offers a comprehensive view of the non-genetic causes of diseases. This approach helps us uncover the mechanisms behind disease development and can guide effective prevention and intervention strategies.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_2_Brooklynn_Mc_Neil_2_a78dee55d9.jpg" alt="Thermo Fisher Scientific: GC Orbitrap Guru Series #2: Brooklynn McNeil" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_2_Brooklynn_Mc_Neil_2_a78dee55d9.jpg 240w," sizes="100vw" width="1024" height="666"><h3>Supporting Exposomics with GC High Resolution MS</h3>Dom:&nbsp;What role does high-resolution mass spectrometry (HR-MS) play in your work?Brooklynn:&nbsp;GC HR-MS, particularly with Orbitrap technology, is crucial in exposomics. The sensitivity to detect low level compounds with sub-ppm mass accuracy allows us to detect and uniquely annotate thousands of chemicals in a single analysis. With compounds present at both low and high concentrations its critical to maintain performance across the full range. The second crucial part is having software and spectral libraries to process the data. For this Compound Discoverer with its statistical tools is helpful. Despite its compact size, the orbitrap is incredibly powerful. However, as a daily user, I do wish some tasks, like performing column installation and leak checks, were a bit easier.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_2_Brooklynn_Mc_Neil_3_5931ad44a2.jpg" alt="Thermo Fisher Scientific: GC Orbitrap Guru Series #2: Brooklynn McNeil" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_2_Brooklynn_Mc_Neil_3_5931ad44a2.jpg 234w," sizes="100vw" width="1024" height="683"><h3>It’s not all work</h3>Dom:&nbsp;That makes a lot of sense. Can you share a memorable moment from your career so far?Brooklynn:&nbsp;One of the highlights was attending the European Human Exposomics Network meeting in Brussels. The city was beautiful and left a lasting impression on me. I’d love to revisit it as a tourist, especially in the summer when it’s hopefully less rainy.Dom:&nbsp;That sounds wonderful! Lastly, what advice would you give to someone interested in pursuing a career in exposomics?Brooklynn:&nbsp;I would encourage them to explore this field because it’s constantly evolving and full of exciting discoveries. Understanding how our environment affects our health is incredibly important, and there are many opportunities to make a significant impact.Dom:&nbsp;Thank you, Brooklynn, for sharing your insights and experiences with us. It’s been a pleasure talking with you.Brooklynn:&nbsp;Thank you! It’s been great sharing my journey.I was thrilled to have had the opportunity to chat with Brooklyn for my second GC Orbitrap Guru blog. &nbsp;I’m on the lookout for more GC Orbitrap enthusiasts, so if you have a story to tell or just want to share your experiences, please get in touch! You can reach me at&nbsp;<a href="mailto:dominic.roberts@thermofisher.com">dominic.roberts@thermofisher.com</a>. I’d love to hear from you! Need to know more? Please take a look at the&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home//industrial/mass-spectrometry/gas-chromatography-mass-spectrometry-gc-ms/gc-ms-systems/high-resolution-accurate-mass-gc-ms.html">Thermo Scientific Orbitrap Exploris GC</a><blockquote>Visit us on <a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a> #GCOrbitrapGuru #gcms #DecadeofDiscovery #Exposomics</blockquote><blockquote>Dominic RobertsDominic 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.</blockquote></div>

GC Orbitrap Guru Series #2: Brooklynn McNeil

With three blogs under our belt, let’s keep this momentum going – welcome to the GC Orbitrap Guru Series! For me, and hopefully for you as well, it has been a pleasure to learn about these incredible careers and see how this technology has played a pivotal role in their science. I can’t wait to share more interviews and perhaps inspire you to dive deeper into these topics or even pursue a similar science career path.A common thread among all these scientists is the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=17&amp;mainauthorItems=3&amp;manufacturerItems=2">GC Orbitrap technology</a>. Now in its 10th year, it has made some truly powerful impacts, and I’m excited to explore them with you. This time, we’re off to one of my favorite countries – Spain! I had an insightful chat with Dr Araceli Rivera-Pérez about her journey to the University of Almeria and her work on food authenticity using GC Orbitrap. You’re going to love it! Enjoy!<blockquote><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_2_Dr_Araceli_Rivera_Perez_3fa0a6dc72.jpg" alt="Thermo Fisher Scientific: Dr Araceli Rivera-Pérez" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_2_Dr_Araceli_Rivera_Perez_3fa0a6dc72.jpg 208w," sizes="100vw" width="1536" height="1152"><ul><li>Name: Dr Araceli Rivera-Pérez</li><li>Organisation: Research group ‘Analytical Chemistry of Contaminants’, Department of Chemistry and Physics, University of Almería (UAL)</li><li>Job title: Ph.D. in Chemistry, postdoctoral researcher and university teacher at UAL</li><li>Years with GC Orbitrap: 6</li><li>Top Applications: Metabolomics, natural compounds, food authentication, fingerprint analysis</li></ul></blockquote><h4>A Stepping stone into the analytical chemistry lab</h4>Dom Roberts (Interviewer): Let’s start at the start – What subject did you study at university, where, and why that one?Araceli: I studied Chemistry at the University of Almería in southern Spain. From the very beginning, I felt deeply connected to the world of analytical chemistry, particularly when applied to real-life issues like food quality and safety. The Mediterranean environment I grew up in, especially rich in agricultural production such as fruits, vegetables, spices, etc., inspired me to use chemistry to explore what we eat and how we can ensure the integrity and authenticity of foodstuffs.Dom: Great motivation! So, when and how did you move from education to your first science job? What did you like about that role?Araceli: My first real contact with scientific research came during the final year of my Chemistry studies when I was awarded a highly competitive collaboration scholarship from the Spanish Ministry of Education, Culture, and Sports to work at UAL’s Department of Chemistry and Physics. That opportunity allowed me to determine the presence of natural flavoring compounds in condiments using GC and low-resolution MS. Then, after my master’s degree studies, I became a Ph.D. student under a prestigious national research grant. What excited me most was the feeling that my work had real-world applications. My Ph.D. research included using cutting-edge metabolomics approaches to guarantee the authenticity of high-value spices like thyme and black pepper, and developing and validating advanced analytical methods for detecting harmful contaminants in these globally appreciated food products, both using advanced analytical techniques like UHPLC and GC coupled to high-resolution MS (Orbitrap analyzers).Dom: You had early access to some great technology, but can you tell us what was the first mass spectrometer technology that you used?Araceli: The first mass spectrometer that I used during my collaboration scholarship was a triple quadrupole GC-MS/MS system to determine myristicin and trans-anethole (natural flavoring compounds) in tea and infusion products. Although it was a powerful tool, I soon realized that the complexity of some food matrices and the occurrence of emerging contaminants required more versatile platforms such as high-resolution MS. Later, GC Orbitrap MS became a central piece of my research.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_2_Dr_Araceli_Rivera_Perez_2_e77e7450cb.jpg" alt="Thermo Fisher Scientific: Dr Araceli Rivera-Pérez" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_2_Dr_Araceli_Rivera_Perez_2_e77e7450cb.jpg 208w," sizes="100vw" width="1536" height="1152"><h4>The importance of food analysis and authentication</h4>Dom: Aside from the economic reasons, why should we be interested in food authenticity?Araceli: Food is not only a basic need, but it also carries deep cultural, economic, and health implications. When food is mislabeled, adulterated, or fraudulently sold, it breaks the trust between producers and consumers. For example, adding synthetic dyes to spices or selling lower-quality honey as a premium one can have both economic and health consequences. With adequate analytical tools, we can detect subtle differences in chemical profiles that act as fingerprints of authenticity. My research aims to develop methods that are reliable and capable of distinguishing, for instance, between origin or processing techniques in foodstuffs, to protect consumers and support transparent food systems.Dom: So with it being 10 years since launch, when did you first use the Thermo Scientific GC Orbitrap MS and for what application?Araceli: Firstly, happy birthday GC Orbitrap! I used it during my first Ph.D. research to develop a novel analytical strategy for detecting alkenylbenzenes in various pepper varieties (e.g. black, white, green, pink, long pepper, etc.). This method, combining GC with Orbitrap MS, enabled the accurate identification and quantification of these naturally occurring compounds, which are known for their potential genotoxic and carcinogenic effects, contributing to food safety assessments.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_2_Dr_Araceli_Rivera_Perez_3_694d807662.jpg" alt="Thermo Fisher Scientific: Dr Araceli Rivera-Pérez" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_2_Dr_Araceli_Rivera_Perez_3_694d807662.jpg 208w," sizes="100vw" width="2048" height="1536"><h4>Supporting food metabolomics with GC high-resolution MS</h4>Dom: Why did you need high-resolution MS for your food authenticity studies?Araceli: High-resolution MS through Orbitrap analyzers is essential in omics work because many authenticity markers are unknown or present at trace levels. Unlike targeted methods, HRMS enables full scan analysis (as well as retrospective one) and thus, it performs untargeted analysis to uncover the ‘foodome’ of the study in a truly fingerprinting way. For instance, in a recent novel research project that I led, which was focused on honey samples sold in the Spanish market, GC Orbitrap MS technology allowed us to discover novel key botanical origin markers with high identification reliability (mass accuracy &lt; 1 ppm) for authenticity purposes.Dom: I saw you <a target="_blank" rel="noopener noreferrer" href="https://link.springer.com/article/10.1007/s00216-024-05347-0">recently published an article </a>looking at data processing strategies in GC-HRMS – What are the main hurdles in detecting compounds in untargeted GC-HRMS data, and what do we need to improve compound detection?Araceli: In our recent study, we highlighted key challenges in untargeted GC-HRMS data processing, such as the complexity of food matrices leading to co-eluting compounds and similar mass spectra, difficulties in spectral deconvolution under low signal-to-noise conditions, and limitations due to existing spectral libraries built from EI low-resolution data. To enhance compound detection, improvements would be welcomed in high-resolution libraries, advanced algorithms for data reduction and prioritization, and tools that integrate retention index filtering or spectral pattern analysis to support compound identification.Dom: If you could improve one thing on GC Orbitrap, what would it be?Araceli: Honestly, I would love the instrument to have easier maintenance features, especially when it comes to cleaning the ion source and replacing the column. The NeverVent system is great for fast vent-free removal of the ion source and changing column, but these days, with ‘plug and play’, an even simpler system would be helpful. Sometimes these tasks are time-consuming and require a lot of care, which can slow down routine workflows. Additionally, enhancing the integration between data acquisition and chemometric processing would be fantastic.<h4>The curved ball questions</h4>Dom: I’m going to throw in an odd question (Sorry!) – favourite analyte? (We all have one as chemistry geeks)Araceli: One compound I particularly enjoy working with is thymol. It’s a volatile compound present in various spices, aromatic herbs, and other plant-derived matrices, and its aroma and role as a botanical marker make it both analytically interesting and highly relevant in food profiling.Dom: When I worked in the lab, my horror matrix was oleoresins! I think I’m still stained. But what’s your worst sample matrix to work with?Araceli: I would say honey is one of the trickiest matrices to work with in untargeted metabolomics. Its high sugar content and complex composition can cause contamination and carryover in long analytical sequences, requiring extensive clean-up and frequent maintenance to keep the system optimally performing.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_2_Dr_Araceli_Rivera_Perez_4_4607122a6d.jpg" alt="Thermo Fisher Scientific: Dr Araceli Rivera-Pérez" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_GC_Orbitrap_Guru_Series_2_Dr_Araceli_Rivera_Perez_4_4607122a6d.jpg 208w," sizes="100vw" width="2048" height="1536"><h4>Science crossing borders</h4>Dom: Recommended conference for a new scientist to go to?Araceli: A highly recommended conference for early-career scientists in chemistry is Euroanalysis 2025. It offers an excellent international platform for networking, knowledge exchange, and exposure to cutting-edge research on analytical chemistry applied to different topics such as omics sciences, food or environmental analysis. I will be attending this summer and I highly encourage participation.Dom: And finally, which conference city would you like to return to for vacation?Araceli: I would love to return to northern Italy, especially Milan. During my Ph.D., I spent several wonderful months on a research stay at the Piacenza University campus (close to Milan), and it was an unforgettable experience. I absolutely fell in love with Italian culture, the food, and the warmth of the people! It’s a place that feels like a second home.Dom: Super location, and of course, Milan is the Thermo Fisher Scientific home of gas chromatography.It was an absolute pleasure to have the chance to chat with Araceli for my third GC Orbitrap Gurus blog. I certainly appreciate the challenges of food profiling. I’m eager to connect with more GC Orbitrap enthusiasts, so if you have a story to share or just want to talk about your experiences, please get in touch! You can reach me at dominic.roberts@thermofisher.com—I’d love to hear from you!<blockquote>Want to learn more?Check out the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472">Thermo Scientific Orbitrap Exploris GC</a><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/article/5332">Blog #1 GC Orbitrap Guru: Kerstin Krätschmer – POPs in food</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/article/5474">Blog #2 GC Orbitrap Guru: Brooklynn McNeil – Exposomics</a></li></ul></blockquote><blockquote>Visit us on <a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn</a>: #GCMS #DecadeofDiscovery #GCOrbitrapGuru</blockquote><blockquote>Dominic RobertsDominic 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.</blockquote>

GC Orbitrap Guru Series #3: Dr Araceli Rivera-Pérez

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