44th International Symposium on Capillary Chromatography - Invited speakers

In analytical chemistry, there are moments when your instrument gives you an answer, and moments when it gives you a question. The difference often comes down to resolution.A compelling example can be found in the analysis of blue fenugreek (Trigonella caerulea), a plant that is widely used as a spice in traditional foods. Interestingly, the fresh plant has almost no aroma, yet after drying and storage it develops a rich and complex bouquet. Understanding this transformation requires detailed insight into a highly dynamic mixture of volatile compounds.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Aromatic_profiling_using_GCMS_and_HRGCMS_5a89d505be.jpg" alt="Thermo Fisher Scientific: When Resolution Changes the Story: Single Quadrupole vs. HRAM GC-MS" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Aromatic_profiling_using_GCMS_and_HRGCMS_5a89d505be.jpg 234w," sizes="100vw" width="1280" height="853">When researchers investigated this system using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484">GC-MS</a>, they encountered exactly the kind of analytical ambiguity that many of us are familiar with. The sample contained a complex mixture of aldehydes and monoterpenoids, along with compounds that were not well described in existing databases.At first glance, a single quadrupole GC-MS appears to be perfectly suited for this type of analysis. It is robust, widely available, and highly effective for routine workflows. It provides reproducible fragmentation patterns and enables reliable library matching. In many cases, this is entirely sufficient.However, challenges arise when compounds share very similar fragmentation behavior. In the case of blue fenugreek, one particular signal could be interpreted in more than one way. The data were consistent with either dimethyl sulfide or a sulfine-type compound. Both possibilities made chemical sense, and both could be supported by the spectra obtained on a quadrupole system.This situation illustrates a fundamental limitation of unit mass resolution. When two candidate structures produce nearly indistinguishable spectra, the instrument cannot decisively distinguish between them. The result is not an incorrect answer, but an incomplete one. You are left with a hypothesis rather than a conclusion.The picture changes significantly when high-resolution accurate mass <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/473">(HRAM) GC-MS</a> is introduced. Instruments such as Orbitrap-based systems provide exact mass measurements with very high accuracy. This allows the determination of elemental compositions and enables clear differentiation between compounds that differ only slightly in mass.In the same example, HRAM analysis made it possible to distinguish between the competing structural hypotheses. What previously appeared ambiguous could now be resolved with confidence.This improvement is not merely a technical detail. It has important consequences for how the data are interpreted. Correct compound identification directly affects our understanding of biochemical pathways, especially in systems where aroma compounds are formed during drying and storage. It also influences how we assign sensory properties, since even small structural differences can lead to significant changes in odor perception. Furthermore, when studying the dynamics of volatile compounds over time, precise identification becomes essential for tracking formation and degradation processes.Despite these advantages, it would be misleading to suggest that HRAM GC-MS should replace single quadrupole systems in all cases. Single quadrupole instruments remain indispensable for routine analysis, targeted workflows, and situations where compounds are well known and thoroughly characterized. They offer a practical balance of performance, cost, and throughput.The key distinction lies in the analytical question being asked. If the goal is to quantify known compounds in a reliable and efficient manner, a single quadrupole system is often entirely appropriate. If, however, the goal is to identify unknowns, resolve ambiguities, or explore complex and poorly understood systems, then high-resolution accurate mass becomes essential.The study of blue fenugreek highlights a broader lesson. Natural products often present us with chemical complexity that challenges our assumptions and our tools. In such cases, ambiguity in the data is not a failure, but an indication that a deeper level of analysis is required.Ultimately, resolution is more than just an instrument specification. It defines how confidently we can translate signals into knowledge.<h4>Acknowledgement:</h4>I would like to thank Dr. Thomas Stegemann, Lab Manager and group leader, Christian-Alberts-University, Kiel, for the contribution to this blog.<h4>Call to action:</h4><ul><li>Watch webinar on demand: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6020">Aromatic profiling using GCMS and HRGCMS</a></li><li>Visit us on&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a>&nbsp;#GCMS #MassSpectrometry #HRAM #Orbitrap</li></ul><blockquote><h5>Petra Gerhards</h5>Regional Marketing Manager GC and GC/MS, EMEA, Thermo Fisher Scientific&nbsp;</blockquote>

When Resolution Changes the Story: Single Quadrupole vs. HRAM GC-MS

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 13th April 2026? 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, BaySpec, and Shimadzu and presentation by MDCW / SepSolve!<h3>1. Agilent Technologies: Sensitive and Reproducible Determination of Nitrosamines by GC/MSD</h3>Analysis of seven nitrosamines using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977+GC%2FMSD">Agilent 5977 GC/MSD</a> in positive chemical ionization mode with ammonia<ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_nitrosamines_5977_gc_ms_5994_9063en_agilent_acf455cd8e.pdf">Full PDF for download</a></li></ul>Nitrosamines are a well known class of carcinogenic compounds that have been the subject of extensive scientific investigation and regulatory assessment for several decades.1 In recent years, various regulatory authorities have established drinking water guidelines for N-nitrosodimethylamine (NDMA), a disinfection byproduct of water treatment processes.&nbsp;In 2004, the US Environmental Protection Agency (EPA) published Method 521, a GC/MS-based method for the analysis of seven nitrosamines including NDMA in drinking water, supporting monitoring and regulatory programs.2 In 2010, Health Canada proposed a maximum acceptable concentration for NDMA in drinking water of 40&nbsp;ng/L.3 In the European Union (EU), several EU member states have introduced their own national limits for nitrosamines in drinking water. In Germany, for example, a concentration of 10&nbsp;ng/L will trigger the initiation of remedial actions to reduce the concentration of NDMA.4&nbsp;This application note demonstrates the ability of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977+GC%2FMSD">Agilent&nbsp;5977 Series GC/MSD</a> to enable linear and reproducible detection of the seven nitrosamines included in EPA Method&nbsp;521 using positive chemical ionization (PCI) with&nbsp;ammonia.&nbsp;Chemical ionization (CI) is a soft ionization technique used in mass spectrometry that enhances molecular ion visibility through controlled ion–molecule reactions. In CI, a reagent gas is ionized first, and the resulting reagent ions subsequently transfer charge to the analyte, producing significantly less fragmentation than conventional electron ionization (EI).&nbsp;PCI further improves sensitivity by generating predominantly protonated molecular ions [M +H]+ , concentrating the ion signal into a high-abundance species and delivering a stronger response and improved signal-to-noise ratios for trace-level compounds. Ammonia is an especially effective reagent gas for PCI due to its clean and efficient proton‑transfer chemistry, low background spectral contribution, and ability to produce stable, high-intensity molecular ions.&nbsp;These characteristics make ammonia PCI a highly suitable ionization mode for the sensitive and selective analysis of small polar contaminants such as nitrosamines, where low‑level detection and confident molecular ion identification are critical.<h4>Conclusion&nbsp;</h4>The study has shown that the Agilent 5977 GC/MSD, operated in PCI mode with ammonia, delivers the sensitivity, accuracy, and reproducibility needed for trace-level nitrosamine&nbsp;analysis. The method demonstrated excellent linearity, with regression coefficients (R²) of 0.9989 or better across the 0.1 to 20.0&nbsp;ppb range for six nitrosamines, and 0.9987 across the 0.5 to 20.0&nbsp;ppb range for NPYR. Analytical repeatability was robust, with %RSD values &lt; 4.8% at the lowest calibration level, indicating a stable and consistent instrument response. Instrument Detection Limits ranged from 0.0063 to 0.0655&nbsp;ppb, demonstrating the system's ability to reliably distinguish analyte signals from instrumental noise. Overall, these results confirm the suitability of the 5977 GC/MSD as a sensitive and dependable platform for nitrosamine analysis in applications that require stringent trace‑level detection<h3>2. BaySpec: Peptide sequencing using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2218">Continuity miniature mass spectrometer</a></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Bay_Spec_App_Note_Peptide_Sequencing_002_af7ca2496c.pdf">Full PDF for download</a></li></ul>Peptide identification and sequencing strategies by mass spectrometry have been very well-developed during the last 25 years after the soft ionization techniques have been introduced. When sequencing peptides with tandem mass spectrometry (MSn), peptides are cleaved at various locations off their backbones to generate fragment ions of different masses based on their amino acid sequences. The most common product ions are the b-, y-, and a-ions generated from the cleavage of amide bond (CO-NH) and the subsequent loss of CO from the b-ions to form a-ions. The resulting MSn spectra can be matched with a database or computed with an algorithm to get the original sequence of known or unknown peptides.&nbsp;Here we present an example of peptide sequencing with BaySpec’s highly-portable (22 kg) and battery operated Continuity -series portable mass spectrometer. It features a linear ion trap with collisionally induced dissociation (CID) for MSn analysis, similar to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2219">Portability series mass spectrometers</a>. In addition, Continuity is equipped with a continuous atmospheric pressure sampling inlet with differential pumping, allowing the detection of a larger mass range (110 – 950 amu). BaySpec’s Continuity mass spectrometer is ideal for on-site peptide sequencing. In this application note, we show an example of peptide sequencing in a standard mixture (H2016, SigmaAldrich) with Continuity mass spectrometer. The mixture was dissolved in HPLC grade water, and then further diluted with an electrospray solution (50:50 methanol:water with 0.5% acetic acid). The diluted solution is directly infused into the API inlet of the Continuity mass spectrometer without any further treatment or separation.<h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2218">ContinuityTM Mass Spectrometer&nbsp;</a></h4>The Continuity mass spectrometer is one of BaySpec’s newest portable instruments. Continuity features a continuous sampling atmospheric pressure inlet, wide mass range and high sensitivity. Designed to bring the benefits of powerful mass to the field, the Continuity can service a variety of bulk or trace detection applications, as well as scientific studies.<h3>3. MDCW / SepSolve: Sniff smarter: Empowering GC–O with trap-based enrichment and GC×GC for advanced aroma profiling</h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_5_Mikaliunaite_29610bc29d.pdf">Full PDF for download</a></li></ul>The presentation focuses on improving the correlation between chemical analysis and human sensory perception in complex samples such as food matrices. Traditional gas chromatography–olfactometry (GC–O) workflows face two major limitations: the presence of trace-level odorants with extremely low odour detection thresholds and the frequent co-elution of compounds, which makes it difficult to assign specific sensory attributes to individual analytes. As highlighted in the early slides, these challenges often result in discrepancies between what instruments detect and what the human nose perceives .To address these issues, the study introduces trap-based enrichment as a key enhancement step. This approach enables pre-concentration and focusing of volatile organic compounds (VOCs) prior to GC analysis, while selectively removing interferents such as water and air. The use of electrically cooled traps allows efficient analyte retention and rapid thermal desorption, improving sensitivity without the need for cryogens. Importantly, this enrichment strategy enhances the detectability of trace odorants, enabling better alignment between instrumental signals and sensory perception.A second major advancement presented is the integration of comprehensive two-dimensional gas chromatography (GC×GC) coupled with TOF-MS and olfactory detection (GC×GC–O–TOF MS). Compared to conventional one-dimensional GC, GC×GC significantly increases separation capacity, effectively resolving co-eluting compounds. This enables more confident identification of odor-active compounds and clearer mapping between chromatographic peaks and recorded aroma descriptors. The workflow also incorporates an odour detection port (ODP), allowing simultaneous acquisition of chromatographic and sensory data, thereby bridging the gap between analytical chemistry and human olfaction.The methodology is demonstrated using real-world applications, including citrus rind and orange juice analysis, where complex aroma profiles are investigated. The results show that GC×GC combined with enrichment and advanced data processing (e.g., Smart Subtract®) enables detailed comparison of sample variants (e.g., juice with vs. without pulp) and identification of subtle compositional differences. Overall, the study highlights that combining trap-based enrichment, GC×GC separation, and integrated sensory detection provides a powerful platform for comprehensive aroma profiling, improving both sensitivity and interpretability in flavour and fragrance analysis<h3>4. Shimadzu: Dual-line Gas Analysis Using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=gc-2060">Nexis GC-2060</a> Gas Chromatograph with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GI-30+Auto+Gas+Injector">GI-30 Auto Gas Injector</a> and BID and TCD Detectors</h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01171_en_5a83027622.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>The Nexis GC-2060 can be equipped with two GI-30 units, enabling automated gas analysis for two sample lines on a single GC.&nbsp;</li><li>The combination of TCD and BID detectors enables analysis of a wide range of sample concentrations.&nbsp;</li><li>Using the GI-30 auto gas injector enables automated gas-sample introduction with high repeatability</li></ul>Gas analysis is performed across a wide range of fields, including resource and energy applications and environmental applications. Typical target analytes include inorganic gases such as H2, N2, CO, and CO2, as well as light hydrocarbon gases such as CH4. Because concentration ranges and matrices vary depending on the sample, detection sensitivity and separation performance must be optimized to meet the measurement objective.&nbsp;Both BID and TCD detectors can detect all compounds except carrier gases (BID cannot detect Ne). The BID is a Shimadzudeveloped detector that enables highly sensitive analysis of lowlevel components at the ppm level and simultaneous analysis of multiple compounds, including H2. In contrast, the TCD provides stable analysis even at high concentrations on the order of percent, and it also has a short time from startup to analysis readiness. Using both detectors together allows a single GC system to cover a wide concentration range from low to high.&nbsp;This article describes dual-line gas analysis using a Nexis GC-2060 equipped with both a BID and a TCD, combined with automated sample introduction using the GI-30 auto gas injector. By combining a BID and a TCD,samples across a broad concentration range can be measured. In addition, automated introduction of gas samples using the GI-30 improves repeatability in continuous analysis and enhances operational efficiency.<h4>Dual-LineGas Analysis Using the GI-30</h4>The GI-30 is an auto gas injector that enables automated, continuous analysis of gas samples (Fig. 1 (right) shows a schematic diagram of the GI-30). With its highly expandable design, the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=gc-2060">Nexis GC-2060 </a>can be equipped with two <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GI-30+Auto+Gas+Injector">GI-30</a> units (Fig. 1 (left)). This enables high-throughput automated gas analysis of two sample lines on a single GC. In addition, because the injection unit, column, detector, and carrier gas can be configured independently for each line, the system can accommodate gas samples with diverse compositions and concentrations. In this application, Line 1 was configured with an SPI/BID to provide highly sensitive detection of low-level components. The SPI is a split/splitless injection unit dedicated to gas analysis. Its high airtightness and inert deactivation of the flow path help suppress ambient air intrusion and analyte adsorption, making it effective for analyzing trace atmospheric components (e.g., N2 and O2) and components that tend to adsorb. In contrast, Line 2 was configured with an SPL/TCD. Using an SPL injection unit also allows liquid sample analysis and manual injection with a gas-tight syringe.<h4>Conclusion</h4>Low- and high-concentration gas samples were analyzed simultaneously on two lines using a Nexis GC-2060 equipped with two GI-30 units and a BID/TCD. By adopting a dual-line configuration with dual GI-30 units and selecting the injection unit, column, detector, and carrier gas according to the measurement objective, it is possible to expand the range of sample concentrations and compositions that can be measured. In addition, automated, continuous gas analysis using the GI-30 reduces the analyst’s workload and enables highly repeatable analysis that is difficultto achieve with manual introduction.

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When Resolution Changes the Story: Single Quadrupole vs. HRAM GC-MS

44th International Symposium on Capillary Chromatography - Invited speakers