Analytical Challenges and Strategies for Compound Identification Using Gas Chromatography–Ion Mobility Spectrometry

Measurement results are only fit for purpose if the measurement uncertainty (MU) is reliable and has a magnitude small enough for the intended use. The target MU is the maximum admissible uncertainty defined for a specific measurement goal.&nbsp;In compliance assessment, the MU should be small enough to enable identification of deviations from compliance relevant to the interests to be protected (such as public health or industrial productivity). Too large an uncertainty would not provide the required protection, while an uncertainty that is too small could mean the use of unnecessary expensive measurements.&nbsp;The Eurachem/CITAC guide on ‘Setting and Using Target Uncertainty in Chemical Measurement’ suggests how to set upper boundaries for the uncertainty based on the intended use of the result [1].&nbsp;The impact of the MU on decisions is illustrated in a fictional scenario.&nbsp;<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_Setting_Target_Measurement_Uncertainty_2_daf2cb4ec8.jpg" alt="Eurachem: Setting Target Measurement Uncertainty" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_Setting_Target_Measurement_Uncertainty_2_daf2cb4ec8.jpg 150w," sizes="100vw" width="740" height="770">Mr. Reis is a farmer planning to sell oranges to a juice producer. The juice producer checks oranges for thiabendazole pesticide residues and Brix level (degrees Brix provides a measure of orange juice sweetness). The producer only accepts oranges with thiabendazole residues below 1 mg kg-1 and a Brix level above 55 °Bx, paying more if the Brix level is above 65 °Bx.&nbsp;Mr. Reis contracted Laboratory C to analyse his oranges before shipping them to the producer knowing that the customer also checks the oranges in its laboratory. Mr. Reis was very happy with the results provided by Laboratory C although the pesticide residue analyses were expensive.&nbsp;The producer accepted the oranges but decided to pay less than expected.&nbsp;After asking the juice producer, the detailed results of both laboratories were compared. This showed that although the results were metrologically compatible they supported different decisions on the oranges’ price.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_Setting_Target_Measurement_Uncertainty_3_aa7c28e61a.jpg" alt="Eurachem: Setting Target Measurement Uncertainty - Laboratory C" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_Setting_Target_Measurement_Uncertainty_3_aa7c28e61a.jpg 245w," sizes="100vw" width="927" height="192"><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_Setting_Target_Measurement_Uncertainty_4_4588f40881.jpg" alt="Eurachem: Setting Target Measurement Uncertainty - Juice producers Laboratory" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_Setting_Target_Measurement_Uncertainty_4_4588f40881.jpg 245w," sizes="100vw" width="911" height="195">The measurement of thiabendazole residues performed by Laboratory C is associated with an extremely low uncertainty making measurements more expensive than necessary. However, the uncertainty associated with the determination of the Brix level is too large, making compliance decisions too uncertain.Measurement results are only fit for the intended use if the measurement uncertainty (MU) is smaller than a maximum acceptable value (i.e. the target MU).&nbsp;Even if the customer or the regulator does not define the target MU, the laboratory should define it to decide if the measurement is fit for the intended use. The Eurachem/CITAC guide [1] suggests the use of different indicators of the measurement quality requirement to define the target MU. Information used to define the target MU is presented from the most likely to become harmonised to the ones supported with less adequate data. The following figure presents this hierarchy of adequacy with numbers from #1 to #9.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_Setting_Target_Measurement_Uncertainty_01cd73bb2c.jpg" alt="Eurachem: Setting Target Measurement Uncertainty" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_Setting_Target_Measurement_Uncertainty_01cd73bb2c.jpg 245w," sizes="100vw" width="1600" height="900"><blockquote>Approaches to defining the target MU described in the Eurachem/CITAC Guide, where utg and Utg represent the target standard and expanded uncertainties, respectively. (the numbers in the bottom of the circles identify the sections of the Guide)</blockquote>

Setting Target Measurement Uncertainty

<h3><a target="_blank" rel="noopener noreferrer" href="https://www.isc2026.org/">ISC 2026</a></h3>The <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/314">International Symposium on Chromatography (ISC)</a> represents the oldest conference series on separation science. ISC symposia have been organised since 1956 in each even year. ISC is one of the premier meetings series for discussion of all modes of chromatography and separation science with a broad coverage of techniques and applications.<h4>35th International Symposium on Chromatography</h4>📆6. - 10. September 2026📍Prague, Czech Republic<h3>REGISTRATION</h3><blockquote>👉<a target="_blank" rel="noopener noreferrer" href="https://www.czech-in.org/cmPortalV15/Account/Login?ReturnUrl=%2FcmPortalV15%2FPortal%2FISC26%2Fnormal">Register HERE for the ISC 2026</a>Late Registration until 25 August 2026</blockquote><h3>VENDOR SEMINARS</h3>Discover the vendor seminars taking place during ISC 2026 in Prague, where leading analytical technology companies will present the latest developments in chromatography, mass spectrometry, and biopharmaceutical analysis. The programme covers stationary phase selectivity, UHPLC and ion chromatography innovations, superficially porous particle columns, virtual GC-MS method modelling, and advanced LC-MS workflows for emerging therapeutics.<h4>Lunch seminar Avantor</h4><h5>Stationary Phase Selectivity: A Powerful Tool for Challenging Separations</h5><ul><li>Monday, 7 September 2026&nbsp;</li><li>13:00-14:00</li><li>👉<a target="_blank" rel="noopener noreferrer" href="https://form.jotform.com/262112522534345">REGISTER HERE</a></li></ul>Stationary phase chemistry is one of the most influential variables in chromatographic method development, providing a powerful means of controlling selectivity and achieving successful separations. While the wide range of commercially available stationary phase chemistries provides extensive opportunities to optimise selectivity, navigating these choices can be challenging, often leading to suboptimal column selection and missed opportunities to improve separation performance or speed of analysis.This seminar will explore why stationary phase selectivity is one of the most powerful tools available to chromatographers for method development. Approaches for characterizing selectivity, including the Tanaka and Neue methodologies, will be discussed as practical tools for understanding and differentiating column chemistries. These concepts will then be used to demonstrate how stationary phase design can be rationalized and how a deeper understanding of selectivity can guide more effective column selection.Application examples will highlight the impact of stationary phase chemistry across a range of analytes, including small molecules and peptides. The seminar will also examine how rational stationary phase selection can be incorporated into streamlined workflows for reversed-phase LC, HILIC and SFC method development.Attendees will gain a deeper understanding of how strategic column selection can enhance resolution, reduce method development time, and enhance overall method performance. The concepts presented will provide a practical framework for scientists seeking a more structured, efficient, and knowledge-driven approach to method development.<blockquote>Dr Matt JamesMatt James is a Senior Research Scientist at Avantor Sciences. Matt gained his PhD at University of Bristol and over the last 15 years, he has worked within the Technical Support, Applications and R&amp;D teams within Hichrom, now part of Avantor. Recent focuses have been HPLC/UHPLC method transfer and translation, the use of solid core phases, development of next generation LC stationary phases and the development of LC methods for key applications, such as the analysis of nitrosamines and PFAS by LC-MS/MS.</blockquote><h4>Lunch seminar Shimadzu</h4><h5>Three New Reasons to Rethink Your Workflow</h5><ul><li>Dr. Gesa Schad, Shimadzu Europa GmbH</li><li>Dr. Waldemar Weber, Shimadzu Europa GmbH</li><li>Monday, 7 September 2026&nbsp;</li><li>13:00-14:00</li><li>👉<a target="_blank" rel="noopener noreferrer" href="https://www.shimadzu.eu/forms/vendor-seminar-registartion_isc2026.html">REGISTER HERE</a></li></ul>Join us for an engaging seminar introducing three new analytical solutions designed to help laboratories work smarter, respond faster, improve robustness, and achieve greater confidence in their results. As analytical demands continue to grow, laboratories need technologies that not only deliver strong performance, but also enhance efficiency, flexibility, and ease of operation. This seminar will highlight how the latest innovations can streamline workflows, support complex applications, and create new opportunities for productivity across the laboratory.<h5><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=nexera+IC">Nexera IC</a> – new compact ion chromatograph&nbsp;</h5><ul><li>This new ion chromatography solution is designed to deliver reliable, high-sensitivity analysis for a anions and cations. With a focus on stability, ease of operation, and workflow efficiency, it helps laboratories achieve consistent results while supporting applications in environmental, food, chemical, and pharmaceutical testing.</li></ul><h5><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=x4">Nexera X4</a> – No more compromise in UHPLC analysis</h5><ul><li>This next-generation UHPLC platform is designed for laboratories that demand both ultra-high performance and robust operation, without compromise. Combining improved usability with dependable, consistent results, it helps optimize throughput, improve data quality, and simplify daily workflows across both routine and advanced analyses.</li></ul><h5><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ+RX">GCMS-TQ RX Series</a> – Enhanced Sensitivity and Reliability in GC-MS/MS Analysis&nbsp;</h5><ul><li>Our new advanced triple quadrupole GC-MS/MS systems are engineered to provide highly sensitive, selective, and dependable analysis for complex samples. Designed to support challenging applications such as trace-level detection and regulatory testing, they enable laboratories to strengthen analytical confidence, improve reproducibility, and manage demanding workflows more effectively.</li></ul>Join us to explore the latest innovations and gain valuable insights into our technologies. Register today to secure your place.<h4>Lunch seminar Advanced Materials Technology</h4><h5>Advantages of Superficially Porous Particle Columns for HPLC and LC-MS</h5><ul><li>Stephanie Schuster, Joshua McBee, Conner McHale, Peter Pellegrinelli (Advanced Materials Technology, 3521 Silverside Rd., Wilmington, DE 19810)</li><li>Tuesday, 8 September 2026&nbsp;</li><li>13:00-14:00</li><li>👉<a target="_blank" rel="noopener noreferrer" href="https://halocolumns.com/isc-2026-vendor-lunch-seminar/">REGISTER HERE</a></li></ul> Superficially porous particle (SPP) columns have existed in one form or another since the late 1960s. However, the benefits of the particle with the solid silica core surrounded by the porous silica shell were not realized for small molecules until 2006 when the first sub-3-µm superficially porous particle columns were introduced. This particle technology enabled efficiencies similar to sub-2-µm fully porous particles (FPPs) without the need for ultra-high pressure capable instrumentation. As a result of the high efficiencies and lower back pressure, the columns may be run at faster flow rates to enable high throughput separations. Additionally, the SPP columns are rugged and offer long column lifetimes. This presentation will highlight comparisons between SPP columns and FPP columns for separations of pharmaceuticals, pesticides, and oligonucleotides.<h4>Lunch seminar Restek</h4><h5>Virtual Chromatographic Modelling Software For Optimising Separation Of Isobaric Compounds in GC-MS Methods</h5><ul><li>Sebastian Prisacariu, Anna Pulte</li><li>Tuesday, 8 September 2026&nbsp;</li><li>13:00-14:00</li><li>👉<a target="_blank" rel="noopener noreferrer" href="https://form.jotform.com/262112099571355">REGISTER HERE</a></li></ul>There is a constant balance for high-throughput laboratories between method run times for large panel analyses and resolution of analytes across these panels to allow sufficient data quality. Developing such methods is often time consuming and expensive for laboratories, as dedicated resources are required to test methods iteratively. Chromatographic modelling tools are becoming increasingly popular for method setup and refinement in high-throughput laboratories looking to minimise instrument and analyst downtime. These tools traditionally offer column phase and method condition suggestions based on the separation of a list of analytes, which can then be modified to improve specific separations as necessary.When developing gas chromatography (GC) methods, shortening cycle time often comes at the cost of compounds co-eluting, with the expectation that a mass selective detector, such as a mass spectrometer (MS) will allow resolution through ion-selective quantitation. An issue arises when the method attempts to analyse isobaric compounds, which cannot be distinguished by MS, and as a result labs must rely upon physical separation via column phase chemistry.As GC-MS techniques continue to be adopted by laboratories, there is a need for more tools that consider mass data for analytes when optimising large panel separations. The virtual chromatographic modelling tool used in this study is built with mass spectrum data for compounds included in libraries. When operating in “MS mode”, the software identifies isobaric compounds and prioritises their separation when making recommendations regarding column phase and method conditions. For those using non-mass selective detection methods, the tool is easily toggled to “FID mode” for users interested in resolving all compounds, regardless of specific mass, allowing for flexibility in instrumentation. Results help labs save time and resources in method development and refinement by considering the instrumentation involved in the model.<h4>Lunch seminar Thermo Fisher Scientific</h4><h5>ASOs, ADCs, and Other Therapeutics: Advanced Characterization with Novel Reversed-Phase Columns and Integrated LC–MS Platform</h5><ul><li>Tuesday, 8 September 2026&nbsp;</li><li>13:00-14:00</li><li>👉<a target="_blank" rel="noopener noreferrer" href="https://forms.cloud.microsoft/pages/responsepage.aspx?id=LXJ9toqqd0ehaevremo7Zz9X1b58h7ZKmlE1n_EPKh5URFJOMFFMVlZWOEc2NUQzWUlTTVY2UEhSTy4u&amp;route=shorturl">REGISTER HERE</a></li></ul>Biotherapeutics are becoming increasingly structurally diverse, placing greater demands on analytical platforms that can support efficient development and regulatory readiness. Reversed-phase chromatography (RPC) remains a widely adopted and adaptable technique, supporting applications that range from oligonucleotide analysis to detailed protein characterization and post-translational modification assessment.This seminar explores the integration of a macroporous, monodisperse reversed-phase column with a next-generation bioinert LC system for the analysis of two emerging classes of biotherapeutics. Antisense oligonucleotides were examined under optimized chromatographic conditions, using a design-of-experiments strategy to evaluate how ion-pairing reagents influence both LC separation and downstream MS performance. The platform was further applied to antibody–drug conjugates, combining RPC with Orbitrap mass spectrometry to support multi-level characterization. Intact, sub-unit, and bottom-up analyses enabled drug-to-antibody ratio determination alongside detailed PTM profiling — including glycosylation, oxidation, and deamidation — under native and stress conditions. Collectively, these studies demonstrate a streamlined and adaptable workflow for comprehensive biotherapeutic characterization.<blockquote>Sara Carillo, Ph.D. &nbsp;(Bioanalytical Research Lead, Characterization and Comparability Laboratory National Institute for Bioprocessing Research and Training (NIBRT), Dublin, Ireland)Sara Carillo completed her Ph.D. in chemical sciences in 2013 at the University of Naples Federico II, where she focused on the structural characterization of polysaccharides and glycoconjugates from Gram-negative bacteria using NMR and mass spectrometry techniques. In 2015, she joined the CCL group at NIBRT, led by Prof. Jonathan Bones. She began her postdoctoral research investigating the effects of extractables and leachables from single-use bioreactors on both the CHO cell N-glycome and the monoclonal antibodies they produce. She currently serves as Bioanalytical Research Lead at NIBRT, where her work centers on developing new mass spectrometry–based analytical approaches to enable deeper and more accessible understanding of biomanufacturing processes and the structural complexity of biopharmaceuticals.Sukhdev Bangar (Senior Product Marketing Manager, Thermo Fisher Scientific, Hemel Hempstead, UK)Sukhdev graduated from De Montfort University (UK) with a BSc. in Pharmaceutical Sciences. After which he worked in the Pharmaceutical industry at GSK &amp; Astra Zeneca performing LC &amp; LC-MS analyses. From 2005 till 2023 Sukhdev worked various roles at Waters Corporation; LC-MS applications, Pharma LC-MS Demo group leader and HPLC Product manager. In his current role at Thermo Fisher Scientific he is responsible for marketing activities for the Vanquish analytical LC’s product portfolio. In this role, he represents the voice of the customer helping shape the future of Vanquish LC systems.&nbsp;</blockquote>

Vendor Seminars at ISC 2026

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Eurachem is a European network promoting international traceability of chemical measurements and good analytical practice. It provides expert guidance, supports method validation, uncertainty evaluation, proficiency testing, and facilitates discussion on technical and policy issues in analytical quality.

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The International Symposium on Chromatography (ISC) represents the oldest conference series focussing on separation science. ISC symposia have been organised since 1956 in each even year. ISC is internationally recognised as one of the premier meeting series for discussion of all modes of chromatography and separation science with a broad coverage of techniques and applications.

International Symposium on Chromatography - (ISC)

LECO Pegasus GC-HRT+

Ultra-high-resolution GC-TOFMS with up to 50,000 FWHM, <1 ppm mass accuracy, and 200 spectra/s. Pegasus GC-HRT+ delivers unmatched sensitivity and confident identification in complex samples.

Now with even higher sensitivity, the Pegasus GC-HRT+ is designed to meet the most demanding analytical challenges. This high-performance GC-TOFMS delivers industry-leading mass accuracy, full-range acquisition at exceptional speed, precise isotopic abundance, and ultra-high mass resolution—all within a single injection.Folded Flight Path (FFP) technology combined with a novel data acquisition system enables up to 50,000 FWHM resolution, &lt;1 ppm mass accuracy, and acquisition rates up to 200 spectra/s, supporting rich analyte discovery and high-confidence identification in highly complex samples.<h3>Key features</h3><ul><li>Mass accuracy ≤1 ppm with peak capacity at least 2× higher than conventional MS platforms</li><li>Encoded Frequent Pushing (EFP) for markedly increased sensitivity, expanded dynamic range, and wide mass range</li><li>Folded Flight Path (FFP) technology for ultra-high resolution, enhanced sensitivity, and advanced TOF focusing</li><li>KADAS® ion-statistics-based acquisition to reduce noise, ensure mass accuracy, and minimize file size</li><li>Ultra High Resolution + HRD to resolve highly isobaric ions (mass differences ~0.02 amu)</li><li>Multi-Mode Source (MMS): EI, Positive CI, and ECNI in one system</li></ul><h3>Models</h3><ul><li>Pegasus GC-HRT+ – Full-scale GC-TOFMS</li></ul><h3>Options</h3><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/82">L-PAL3 Automated Sample Injector</a></li></ul>

LECO Pegasus GC-HRT+ 4D

High-resolution GC×GC-TOFMS system combining extreme separation power, up to 200 spectra/s acquisition, and advanced HR deconvolution for confident identification of unknowns in complex samples.

The Pegasus GC-HRT+ 4D from LECO combines comprehensive two-dimensional gas chromatography (GC×GC) with high-resolution time-of-flight mass spectrometry (TOFMS) and advanced High-Resolution Deconvolution (HRD). Designed for the most complex sample matrices, the system enables detection, separation, and confident identification of more analytes than ever before. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41">ChromaTOF® software</a>, purpose-built for HRT+ instrumentation and GC×GC workflows, integrates advanced qualitative and quantitative tools into a single, user-friendly data system.<h3>Key Features</h3><ul><li>Compact benchtop design that saves valuable laboratory space</li><li>Industry-leading sensitivity with proprietary deconvolution algorithms for clean, high-quality spectra</li><li>High acquisition speed up to 200 spectra/s to properly define ultra-narrow GC×GC peaks (&lt;200 ms)</li><li>Complete historical mass-spectral record retained for future data mining and reprocessing</li><li>Proven Pegasus reliability and durability in a modern, space-efficient format</li></ul><h3>GC×GC Performance Explained</h3>GC×GC achieves exceptionally high peak capacity by trapping compounds eluting from the first column and reinjecting them into a second column for rapid secondary separation. These second-dimension separations occur within seconds, producing extremely narrow peaks that demand very high spectral acquisition rates. The Pegasus GC-HRT+ 4D meets and exceeds this requirement, enabling robust spectral deconvolution and confident compound identification in highly complex samples.<h3>Available Configurations</h3><ul><li>Pegasus GC-HRT+ 4D with Liquid Nitrogen Thermal Modulator</li><li>Pegasus GC-HRT+ 4D with Cryogen-Free Modulator</li></ul><h3>Optional Accessories</h3><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/82">L-PAL3 Autosampler</a></li></ul>

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Setting Target Measurement Uncertainty

Analytical Challenges and Strategies for Compound Identification Using Gas Chromatography–Ion Mobility Spectrometry