<p><strong>The quality of drinking water is under closer scrutiny than ever before. Beyond microbiological safety and major chemical contaminants, trace-level organic compounds increasingly determine whether water is perceived as clean, safe, and acceptable by consumers. Among these substances, volatile organic compounds (VOCs) play a central role — both from a regulatory and a sensory perspective.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_VOC_Analysis_in_Drinking_Water_Achieving_ppt_Level_Sensitivity_with_ITEX_Dynamic_Headspace_GC_MS_b4de2f994a.jpg" alt="Thermo Fisher Scientific: VOC Analysis in Drinking Water: Achieving ppt-Level Sensitivity with ITEX Dynamic Headspace GC-MS" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_VOC_Analysis_in_Drinking_Water_Achieving_ppt_Level_Sensitivity_with_ITEX_Dynamic_Headspace_GC_MS_b4de2f994a.jpg 245w," sizes="100vw" width="1024" height="512"></p><p>Modern analytical laboratories face a dual challenge: complying with stringent legal requirements while simultaneously detecting compounds that are noticeable by humans at concentrations far below established health-based limits. This is particularly true for odor-active VOCs, where customer complaints may arise even when water is fully compliant.</p><h3><strong>What are VOCs — and why are they so challenging?</strong></h3><p>VOCs are a heterogeneous group of compounds defined primarily by their physical properties rather than their chemical structure. They typically exhibit:</p><ul><li>Low molecular weight</li><li>Relatively low boiling points (approximately 50–260 °C)</li><li>High vapor pressure</li><li>Low to moderate solubility in water</li></ul><p>This group includes substances such as <strong>light halogenated hydrocarbons (LHKW)</strong>, <strong>aromatic hydrocarbons (BTEX)</strong>, and <strong>trihalomethanes (THMs)</strong>, many of which are regulated in drinking water due to toxicological concerns or their role as disinfection by-products from an analytical standpoint, these same properties make VOCs difficult to quantify at ultra-trace levels. Losses during sample handling, insufficient enrichment, and water interference can all limit sensitivity — especially when target concentrations are in the low µg/L or ng/L range.</p><h3><strong>Regulatory pressure drives method sensitivity</strong></h3><p>European drinking water legislation defines not only maximum allowable concentrations but also strict performance criteria for analytical methods. <a target="_blank" rel="noopener noreferrer" href="https://eur-lex.europa.eu/eli/dir/2009/90/oj/eng?utm_source=chatgpt.com"><strong>Directive 2009/90/EC</strong></a> requires limits of quantification to be no higher than <strong>30% of the applicable environmental quality standard</strong>. For many VOCs, this translates directly into <strong>ppt-level analytical requirements</strong>.</p><p>As a result, laboratories must rely on techniques that go beyond conventional workflows while still maintaining robustness, reproducibility, and ease of use.</p><h3><strong>Headspace GC-MS: established — but not always sufficient</strong></h3><p>Headspace GC-MS remains a cornerstone of VOC analysis in water. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/64"><strong>Static headspace</strong></a><strong> (SHS)</strong> methods are widely used due to their simplicity, cleanliness, and compatibility with routine laboratories. However, SHS relies on a single equilibrium extraction of the gas phase, which can limit sensitivity — particularly for very volatile compounds or analytes present at trace concentrations.</p><p>For these applications, additional enrichment steps are often required.</p><h3><strong>ITEX dynamic headspace: turning sampling into enrichment</strong></h3><p><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/order/catalog/product/1R77010-1125"><strong>ITEX (In-Tube Extraction) Dynamic Headspace</strong></a> bridges the gap between simplicity and sensitivity. Unlike static headspace, ITEX repeatedly draws defined volumes of headspace gas through an adsorbent trap, actively enriching analytes before injection into the GC system.</p><p><strong>This dynamic approach offers several decisive advantages:</strong></p><ul><li>True analyte enrichment directly from the headspace</li><li>Solvent-free sample preparation</li><li>Reduced risk of contamination and carryover due to a closed, syringe-based design</li><li>Straightforward maintenance with easy access to trap and syringe components</li></ul><p>By passing the headspace through the trap multiple times, ITEX effectively increases the sampled analyte mass without increasing sample volume — a key advantage for ppt-level analysis.</p><h3><strong>Tailored adsorbents for targeted performance</strong></h3><p><strong>ITEX performance can be optimized through the selection of appropriate adsorbent materials:</strong></p><ul><li><strong>Tenax TA</strong> for volatile and semi-volatile compounds</li><li><strong>Carbopack</strong> for hydrophobic analytes with minimized water displacement</li><li><strong>Carboxen and Carbosieve materials</strong> for very volatile compounds such as vinyl chloride</li></ul><p>This flexibility allows laboratories to adapt ITEX methods to a wide range of drinking water applications, from regulatory VOC panels to specialized odor investigations.</p><h3><strong>Managing water — without compromising sensitivity</strong></h3><p>Water is often the hidden enemy of trace VOC analysis. In ITEX, excess water can be efficiently removed by purging the trap with inert gas at low temperature before thermal desorption. The trap itself can then be heated to temperatures of up to <strong>350 °C</strong>, ensuring complete desorption of analytes while maintaining excellent repeatability.</p><p>Carryover testing demonstrated values of ≤0.027% for all analytes, even without blank subtraction — a critical requirement for trace analysis in regulated environments.</p><h3><strong>Chromatographic focusing for very volatile compounds</strong></h3><p>Highly volatile VOCs remain chromatographically challenging, even after enrichment. Combining ITEX with <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/chromatography/gas-chromatography-gc/gc-systems/modules.html"><strong>PTV injection</strong></a><strong> and dedicated focusing liners</strong> significantly improves peak shape and signal-to-noise ratio. This double-focusing approach is especially effective for compounds such as vinyl chloride and other light halogenated hydrocarbons. When paired with <strong>SIM acquisition in </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484"><strong>GC-MS</strong></a>, the result is robust, sensitive, and selective detection across a broad VOC range.</p><h3><strong>Taste and odor: why ppt really matters</strong></h3><p>One of the most demanding applications in drinking water analysis is the detection of odor-active compounds such as <strong>geosmin</strong>. Produced naturally by cyanobacteria and actinomycetes, geosmin causes an earthy, musty taste and odor that consumers can detect at concentrations as low as <strong>5–10 ng/L</strong>.</p><p>Although geosmin poses no health risk, even trace levels can trigger complaints and damage public trust. ITEX Dynamic Headspace GC-MS enables reliable detection well below the sensory threshold, supporting proactive water quality management rather than reactive troubleshooting.</p><h3><strong>Automation and flexibility for the modern laboratory</strong></h3><p>Drinking water laboratories often analyze a wide range of sample types and concentration levels. Automated platforms such as the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/422"><strong>TriPlus RSH SMART</strong></a><strong> autosampler</strong> support multiple injection and sampling techniques — including liquid injection, static headspace, SPME, and ITEX — with automatic tool change functionality.</p><p>Intelligent sequence control and consumable monitoring help laboratories maximize productivity while maintaining consistent analytical performance.</p><h3><strong>Conclusion: a future-proof approach to VOC analysis</strong></h3><p>ITEX Dynamic Headspace has proven to be a powerful and versatile alternative to purge-and-trap for the analysis of VOCs in drinking water. Its ability to deliver <strong>ppt-level sensitivity</strong>, combined with operational simplicity and excellent robustness, makes it ideally suited for both regulatory compliance and advanced odor analysis.</p><p>When integrated with PTV injection and SIM-based GC-MS detection, ITEX-DHS supports reliable quantification of even the most challenging VOCs — helping laboratories meet today’s requirements while preparing for tomorrow’s expectations</p><p><strong>Call to action</strong>:</p><p>To learn more about this interesting technology in a FREE webinar, register here:</p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://event.on24.com/wcc/r/5250532/C85F8F6AC85928EE5DB65E38D3C9B23F"><strong>April 23-Trinkwasserübewachung mit der ITEX</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://event.on24.com/wcc/r/5250534/258DDD452DE6AAA5FDEB0E72CBF70889"><strong>June 11th VOC Analytik in Trinkwasser mittels Headspace GC-MS und ITEX</strong></a></li></ul><h3><strong>Acknowledgement</strong></h3><p>I would like to thank <strong>Dr. Klaus Schrickel</strong>, Thermo Fisher Scientific Dreieich, Germany, for the contribution to this blog.</p><ul><li><strong>Visit us on&nbsp;</strong><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/"><strong><u>LinkedIn:</u></strong></a>&nbsp;#GC #GC/MS # ITEX #Headspace</li></ul><blockquote><h5><strong>Petra Gerhards</strong></h5><p>Petra Gerhards, Dipl-Ing, is Regional Marketing Manager of GC and GC-MS for EMEA at Thermo Fisher Scientific. She has more than 29 years of experience in the fields of GC-MS, SPE and LC-MS. Since joining the regional team she has contributed to workflow solutions combining vials and closures with SPE solutions, GC-MS and LC-MS. She works with KOL's on data for regional specific marketing campaigns, organizes in-house seminars and works on customer specific solutions. Her main expertise is in the field of doping and drugs-of-abuse analysis.</p></blockquote>

VOC Analysis in Drinking Water: Achieving ppt-Level Sensitivity with ITEX Dynamic Headspace GC-MS

<p><strong>Visit the LabRulez booth at </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/events/871"><strong>analytica 2026</strong></a><strong> in Munich, 24. - 27. March 2026! You can find us in Hall A1, Booth A1.506. At the booth, you will be able to explore live demonstrations of how the LabRulez portals work and see selected analytical instruments from our pre-owned marketplace section.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Lab_Rulez_at_Analytica_2026_Floor_plan_55e1057e03.jpg" alt="LabRulez at Analytica 2026: Hall A1 Floor Plan and Booth Location" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Lab_Rulez_at_Analytica_2026_Floor_plan_55e1057e03.jpg 245w," sizes="100vw" width="1516" height="881"></p><h3><strong>Would you like to learn how the LabRulez portals work?</strong></h3><p>➡︎ <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/"><strong>LabRulezLCMS</strong></a><br>➡︎ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/"><strong>LabRulezGCMS</strong></a><br>➡︎ <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/"><strong>LabRulezICPMS</strong></a></p><ul><li>A <strong>unique online solution</strong> for <strong>your marketing</strong></li><li>A <strong>targeted audience</strong> from the <strong>analytical chemistry community</strong></li><li><strong>Modern technologies</strong> and a unique concept</li><li><strong>Design optimized for most smart devices</strong> – PC, mobile, and tablet</li><li><strong>Advanced statistical tools</strong> fully available to users</li></ul><h3><strong>Services Offered</strong></h3><h4><strong>News + Company Updates</strong></h4><ul><li>Publish <strong>news related to your instrumentation, applications, services, events, job openings</strong>, and more</li><li><strong>News is shared</strong> both on our <strong>portals</strong> and across our <strong>social media channels</strong></li></ul><h4><strong>Library – All Documents in One Place</strong></h4><ul><li><strong>Applications, posters, presentations, technical articles, brochures, specifications</strong></li><li><strong>Fas</strong>t and <strong>advanced search</strong> capabilities</li><li>Over <strong>32,000 documents</strong> currently available in our database</li></ul><h4><strong>Webinars</strong></h4><ul><li><strong>Upcoming and on-demand webinars</strong> from the field of analytical chemistry</li><li>More than <strong>5,500 webinars</strong> covering chromatography, mass spectrometry, and spectroscopy</li></ul><h4><strong>Careers</strong></h4><ul><li><strong>Targeted job</strong> listings in <strong>analytical chemistry</strong></li><li>Clear filtering by specialization or location</li><li><strong>Increased visibility for job postings</strong></li></ul><h4><strong>Companies</strong></h4><ul><li><strong>Company profile</strong> with key information and contacts</li><li><strong>Integration of all your activities on our portal:</strong> News, Library documents, Webinars, Upcoming Events, Careers, and mentions by partners or customers</li><li><strong>Connection to your Products </strong>listed on LabRulez portals</li></ul><h4><strong>Products and Services</strong></h4><ul><li>Comprehensive <strong>overview of instrumental techniques and services</strong></li><li>Targeting the analytical chemistry community and customers in the growing online environment</li></ul><h4><strong>Marketplace</strong></h4><ul><li><strong>Buying and selling pre-owned analytical equipment</strong></li><li>We purchase analytical instrumentation of all brands and ages</li><li><strong>Sell your equipment through LabRulez</strong></li><li>Request and purchase <strong>complete systems, modules</strong>, or <strong>spare parts</strong> with warranty and service</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Lab_Rulez_at_analytica_2026_bazar_7edf4a0872.jpg" alt="LabRulez at analytica 2026" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Lab_Rulez_at_analytica_2026_bazar_7edf4a0872.jpg 88w," sizes="100vw" width="1600" height="2844"></p><h3><strong>What Will Be on Display at Our Booth?</strong></h3><p>Come and explore selected spare parts and modules from our marketplace section. These include both new, tested, and pre-owned items.</p><h4><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar"><strong>LabRulezLCMS Marketplace</strong></a></h4><p><strong>Spare parts for LC/MS:</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar?category=378"><strong>Vacuum turbo pumps for LC/MS</strong></a></li></ul><p><strong>Spare parts for HPLC:</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar?category=397"><strong>Degassers for HPLC/UHPLC</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar?category=368&amp;search=valve"><strong>Automatic valves for HPLC</strong></a></li><li>HPLC components for Agilent 1100, 1200, and 1260 Infinity II series</li></ul><p><strong>Consumables:</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar?category=377"><strong>HPLC lamps</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar?category=48"><strong>HPLC columns</strong></a></li></ul><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar"><strong>LabRulezGCMS Marketplace</strong></a></h4><p><strong>Spare parts for GC/MS:</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar?category=367&amp;search=turbo"><strong>Turbo pumps for GC/MS</strong></a></li></ul><p><strong>Spare parts for GC:</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar?category=366&amp;search=EPC"><strong>EPC modules</strong></a></li></ul><p><strong>Sample injection</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar/432"><strong>Autosampler 7693A for GC</strong></a></li></ul><p><strong>Consumables:</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar?category=7"><strong>GC columns </strong></a>and selected accessories</li></ul>

LabRulez at analytica 2026

<h4><strong>The future of chromatography is here – are you ready?</strong></h4><p><strong>Chromatography continues to evolve at an unprecedented pace, driven by the need for sustainability, analytical performance, and digital innovation. This dedicated analytica 2026 conference session brings together leading experts to explore how next-generation GC and LC technologies, advanced hyphenated techniques, microfluidics, additive manufacturing, and data-driven workflows are reshaping analytical science. From greener HPLC strategies and supercritical fluid chromatography to ion mobility–HRMS and multidimensional separations, the programme provides a forward-looking perspective on how laboratories can adapt to emerging analytical challenges and unlock new scientific insights.</strong></p><blockquote><h5><strong>Companies participating in the analytica 2026 trade fair:</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/events/1200"><strong>Agilent Technologies</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/events/1206"><strong>ANALYTIKA</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/events/1197"><strong>Bruker</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/events/1201"><strong>DataApex</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/events/1195"><strong>KNAUER</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/article/7049"><strong>LabRulez</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/events/1227"><strong>LECO</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/events/1202"><strong>Markes International</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/events/1214"><strong>Metrohm</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/events/1213"><strong>PerkinElmer</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/events/1216"><strong>Restek</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/events/1196"><strong>SCIEX</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/events/1230"><strong>SciY</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/events/1215"><strong>Shimadzu</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/events/1191"><strong>Thermo Fisher Scientific</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/events/1217"><strong>Wasson-ECE</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/events/1228"><strong>Waters Corporation</strong></a></li></ul></blockquote><h4><strong>Programme Tuesday, 24 March 2026, ICM Saal 5</strong></h4><h5><strong>09:30 - 10:00 EuChemS-DAC Tribute to Prof. Dr. Wolfgang Buchberger presented by Dr. Martin Vogel</strong></h5><ul><li>Dr. Martin Vogel | Germany | University of Münster</li></ul><h4><strong>The Future of Chromatography Is Here – Are You Ready? Towards Sustainable HPLC: Are Narrower Columns the Solution? (GDCh)</strong></h4><h5><strong>10:00 - 10:30 From filament to chromatogram: using additive manufacturing to democratise miniaturisation and promote sustainability in analytical laboratories</strong></h5><ul><li>Dr. Thorsten Teutenberg | Germany | Institut für Umwelt &amp; Energie, Technik &amp; Analytik e.V. (IUTA)</li></ul><h5><strong>10:30 - 11:00 Supercritical fluid chromatography as a sustainable analytical method</strong></h5><ul><li>Prof. Dr. Caroline West | France | University of Orleans</li></ul><h5><strong>11:00 - 11:30 Microfluidic versus conventional LC–HRMS for HIV metabolomics: a comparative performance assessment</strong></h5><ul><li>Frederic Lynen | Belgium</li></ul><h5><strong>11:30 - 12:30 Poster Session sponsored by Shimadzu</strong></h5><h4><strong>The Future of Chromatography Is Here – Are You Ready? GC &amp; HPLC: The Cutting-Edge Advances You Need to Know - Part I (GDCh)</strong></h4><h5><strong>12:30 - 13:00 Next-Gen HPLC: A Column Technology Deep Dive</strong></h5><ul><li>Prof. Dr. Gert Desmet | Belgium | Free University Brussels</li></ul><h5><strong>13:00 - 13:30 GC-Based hyphenated techniques for detailed characterization of complex samples</strong></h5><ul><li>Prof. Dr. Giorgia Purcaro | Belgium | University of Liège</li></ul><h5><strong>13:30 - 14:00 Molecular Encoding as a Tool to Enable Data Science-Assisted Analytical Measurements</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/articles?search=Kevin+Schug"><strong>Prof. Kevin Schug</strong></a> | USA | The University of Texas at Arlington</li></ul><h5><strong>14:00 - 14:30 Good Resolutions for Bad Pollutants: Ion Mobility–HRMS to Resolve Complex Environmental Mixtures</strong></h5><ul><li>Prof. Dr. Gauthier Eppe | Belgium</li></ul><h4><strong>The Future of Chromatography Is Here – Are You Ready? GC &amp; HPLC: The Cutting-Edge Advances You Need to Know - Part II (GDCh)</strong></h4><h5><strong>15:00 - 15:30 GC×GC-TOFMS for Medical Volatolomics</strong></h5><ul><li>Prof. Dr. Jean-François Focant | Belgium | University of Liege</li></ul><h5><strong>15:30 - 16:00 Cryogenic band compression as a means to simplify the sample preparation step in 1D and comprehensive 2D GC food analysis</strong></h5><ul><li>Prof. Dr. Peter Q. Tranchida | Italy | University of Messina</li></ul><h5><strong>16:00 - 16:30 Significance of radial dispersion to effective modulation in two-dimensional liquid chromatography and its role in machine-learning based automated method development</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/articles?search=bob+pirok"><strong>Bob Pirok</strong></a> | Netherlands | University of Amsterdam</li></ul><h5><strong>16:30 - 17:00 LCxSFC coupling: A robust tool to aid understanding of renewable and circular industrial processes&nbsp;</strong></h5><ul><li>Karine Faure | France | University of Lyon</li></ul>

Analytica 2026: The Future of Chromatography Is Here – Are You Ready?

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For five decades, the world's leading trade fair analytica has been your guarantee of success for the successful presentation of innovative laboratory technology and pioneering biotechnology. As the most important meeting place for the sector, it brings together the complete range of topics for laboratories in industry and research.

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LECO ChromaTOF Identification Grading System

ChromaTOF Identification Grading System assigns confidence scores to GC×GC-HRTOFMS identifications using accurate mass, spectra, fragments, and retention indices for faster, defensible results.

<h3><strong>Bring the power of accurate mass and confidence to compound identification</strong></h3><p><strong>The LECO Identification Grading System™ (IGS™) is designed to simplify and accelerate data review by clearly indicating how confident you can be in each compound identification. By consolidating all available chemical evidence into a single, intuitive grading metric, IGS enables users to quickly justify identifications, report results with confidence, and make informed decisions on next analytical steps.</strong></p><p>IGS is tightly integrated with data generated by the Pegasus GC-HRT 4D platform and is especially powerful for non-targeted workflows, where large numbers of unknown or partially known compounds must be evaluated efficiently and objectively.</p><h3><strong>Key Features</strong></h3><p>The Identification Grading System leverages the full chemical information content produced by GC×GC-HRTOFMS to strengthen confidence in “unknown unknown” identification.</p><p><strong>Each compound identification is assigned a grade based on four independent criteria:</strong></p><ul><li>Presence and accurate mass of the molecular ion</li><li>Presence and strong spectral similarity score from a curated reference library</li><li>Accurate mass agreement of chemically reasonable fragment ion formulae associated with the library hit</li><li>Retention index agreement with the corresponding library entry</li></ul><p>The resulting numerical grade provides an immediate, transparent indicator of identification confidence—the higher the grade, the stronger the supporting evidence.</p><h3><strong>Theory of Operation</strong></h3><p>The full potential of confident identification is realized through the combined capabilities of comprehensive two-dimensional gas chromatography (GC×GC) and high-resolution time-of-flight mass spectrometry (TOFMS).</p><p>GC×GC separates co-eluting species that would otherwise interfere with spectral interpretation, producing significantly cleaner mass spectra. High-resolution TOFMS delivers accurate, unskewed mass spectra across the entire chromatographic peak, including extremely narrow second-dimension peaks. When combined with advanced deconvolution, this results in exceptionally high-quality spectral information.</p><p>Developed in response to the challenges highlighted by the U.S. EPA’s Non-Targeted Analysis Collaborative Trial (ENTACT), IGS directly addresses the time-consuming and subjective nature of traditional data review. It provides a systematic, evidence-based approach to filtering large result sets and focusing attention on the most reliable identifications.</p><h4><strong>Practical Impact in Non-Target Analysis</strong></h4><p>In GC×GC-TOFMS datasets from the EPA ENTACT challenge, unfiltered deconvolution can yield thousands of tentative identifications. Applying the IGS filter dramatically reduces this number, immediately highlighting the most confident matches and allowing analysts to focus on true unknowns with high priority.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_Identification_Grading_System_3_9b33a4d091.jpg" alt="LECO: Identification Grading System" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_Identification_Grading_System_3_9b33a4d091.jpg 245w," sizes="100vw" width="513" height="120"></p><p>In blind ENTACT samples, IGS correctly identified approximately 80% of known compounds introduced into the sample, demonstrating that the combination of GC×GC separation and high-resolution TOFMS is essential for high-confidence non-target identification.</p>

LECO ChromaTOF® Tile analytical software

ChromaTOF Tile enables rapid, statistically robust GC×GC-TOFMS data comparison using tiled heatmaps, reducing false positives and cutting data mining from days to minutes.

<p><strong>Turn Your Data into Chemistry</strong></p><p><strong>The volume of GC×GC-TOFMS data can quickly become overwhelming. Thousands of analytes across multiple tables may require months of pixel-level data mining, often complicated by false positives caused by normal chromatographic variation.</strong></p><p><strong>ChromaTOF Tile</strong> fundamentally changes how GC×GC data are compared and interpreted. Instead of evaluating individual pixels, the software statistically compares tiled regions of chromatograms. Truly significant differences rise immediately to the surface—allowing you to focus on chemical meaning rather than data hunting.</p><blockquote><p><i>“ChromaTOF Tile is an enabling technology that has reduced our peak picking time from 10 days to 10 minutes.”</i></p></blockquote><h3><strong>Designed for Sample Group Differentiation</strong></h3><p>Integrated heatmap tables provide instant visual feedback on relative intensities and variance. ChromaTOF Tile highlights differences between two or more sample classes, including:</p><ul><li>Biomarkers distinguishing healthy vs. diseased samples</li><li>Off-odor detection in food quality control</li><li>Environmental samples upstream/downstream of contamination sources</li><li>Petroleum samples from different geographic origins</li><li>Any complex GC×GC comparison where class differentiation matters</li></ul><h3><strong>Key Features</strong></h3><ul><li><strong>Stand-alone software</strong> designed to work in conjunction with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41"><span><strong>ChromaTOF</strong></span></a></li><li><strong>Rapid statistical comparison</strong> of GC×GC data sets</li><li><strong>Exportable tables and plots </strong>for efficient reporting</li><li><strong>Clean, library-searchable spectra generated</strong> from tiling</li><li><strong>Approximate trend quantification using</strong> tile areas</li><li><strong>Reduced false positives </strong>from chromatographic misalignment</li></ul><h3><strong>Theory of Operation</strong></h3><p><strong>The challenge:</strong> Comparing large sets of GC×GC chromatograms is slow and alignment-sensitive, often taking weeks or months even with automated tools.</p><p><strong>The solution:</strong> In collaboration with <span>Robert Synovec</span>, ChromaTOF Tile applies Fisher ratios to partition chromatograms into regions (“tiles”). Instead of pixel-by-pixel comparison, corresponding tiles are averaged and statistically evaluated.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_Chroma_TOF_Tile_analytical_software_816a8a7705.jpg" alt="LECO ChromaTOF® Tile analytical software" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_Chroma_TOF_Tile_analytical_software_816a8a7705.jpg 245w," sizes="100vw" width="854" height="462"></p><p>The result is a set of intuitive heatmaps that immediately direct attention to regions of high variance and high analytical relevance—without altering the underlying data.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_Chroma_TOF_Tile_analytical_software_2_c3c8abd476.jpg" alt="LECO ChromaTOF® Tile analytical software" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_Chroma_TOF_Tile_analytical_software_2_c3c8abd476.jpg 245w," sizes="100vw" width="1045" height="566"></p>

LECO Simply GC×GC®

Simply GC×GC from LECO guides users through the steps of creating an optimized GC×GC method or converting an existing 1D GC method for complex samples.

<p><strong>Simply GC×GC from </strong><span><strong>LECO</strong></span><strong> is a free tool designed to walk users through the steps of creating an optimized GC×GC method for complex samples.</strong></p><p>The tool allows users to <strong>create a GC×GC method from scratch</strong> or <strong>convert an existing 1D GC method to GC×GC</strong>.</p><p>Simply GC×GC provides <strong>logical, step-by-step instructions</strong>, for example for:</p><ul><li>setting the <strong>secondary oven offset</strong>,</li><li>setting the <strong>second-dimension column length</strong>,</li><li><strong>experimentally evaluating stationary phases and peak capacity</strong>.</li></ul><p>Simply GC×GC takes a simple approach to GC×GC and helps users avoid unnecessary testing while streamlining the method development cycle.</p>

Products from category GCxGC software distributed by LECO Instrumente Plzeň - page 1

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