<h4>Introduction&nbsp;</h4>Millions of tests, measurements and examinations are made every day in thousands of laboratories around the world. There are innumerable reasons underpinning them, for example: as a way of valuing goods for trade purposes; supporting healthcare and construction; checking the quality and safety of food and feed; and in forensic analysis and environmental monitoring. Virtually every aspect of society is supported in some way by analytical work.&nbsp;The cost of carrying out these measurements is high and additional costs may arise from decisions made on the basis of the results. For example, tests showing food to be unfit for consumption may result in compensation claims. In addition, tests confirming the presence of banned drugs could result in fines or imprisonment. Clearly it is important to make a correct measurement and be able to show that the result is correct.<h4>The validation/verification process</h4>Most analysts know that method validation/verification is important, but exactly why, how and when it should be done is not always clear.&nbsp;Method validation/verification is the process whereby the laboratory demonstrates whether or not a method is ‘fit for purpose’ (Fig. 1). This means that the tests carried out should be appropriate with respect to uncertainty, cost, time etc. The final report should present analytical data in such a way that the customer can, readily, interpret it and draw appropriate conclusions.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_The_validation_verification_82742c1029.jpg" alt="Eurachem: Fig. 1. The method validation/verification process. The laboratory ‘translates’ the customer’s problem into an analytical requirement, i.e. the method performance required to solve the problem. Method validation/verification includes a stage where various performance characteristics are evaluated and then compared with analytical requirements." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_The_validation_verification_82742c1029.jpg 124w," sizes="100vw" width="821" height="1029"><h4>The Eurachem Guide&nbsp;</h4>A <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2242">Guide from Eurachem</a> (Fig. 2) gives practical advice on how method validation/verification can be accomplished. The Guide and its supplements [1-4]:&nbsp;<ul><li>Introduce the basic concepts related to method validation and method verification;&nbsp;</li><li>Indicate how to plan, record and report validation and verification studies to best support the statement of ‘fitness for purpose’;&nbsp;</li><li>Provide key definitions and the rationale behind the experiments for assessing the various performance characteristics and related topics (Fig. 3);&nbsp;</li><li>Include quick reference tables that suggest experiments together with the necessary statistical calculations for evaluation and reporting each performance characteristic;&nbsp;</li><li>Provide support to the analyst on how to make the best use of method validation data for setting up an internal quality control plan.</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_The_Fitness_for_Purpose_of_Analytical_Methods_95fc1a74e3.jpg" alt="Eurachem: Fig. 2. The Eurachem Guide is available free of charge at www.eurachem.org." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_The_Fitness_for_Purpose_of_Analytical_Methods_95fc1a74e3.jpg 135w," sizes="100vw" width="1062" height="1231"><h4>How should methods be validated/verified?</h4>The guide focuses on a single-laboratory approach to method validation/verification and gives guidance on planning, carrying out and reporting method validation and verification studies. Any method validation or verification study will require the laboratory to investigate several performance characteristics:<ul><li>Precision<ul><li>Repeatability&nbsp;</li><li>Intermediate precision</li></ul></li><li>Trueness</li><li>Selectivity</li><li>Working range</li><li>Analytical sensitivity</li><li>Limit of detection</li><li>Limit of quantification</li><li>Ruggedness</li></ul>Exactly which characteristics are studied will depend on the analytical application. Verification of the performance of a standard method requires substantially less work than validation of a method developed in-house. Legislative/sectoral requirements must also be considered.&nbsp;Sampling and subsampling can be part of the measurement or testing procedure and must, in those cases, be validated.

The importance of being fit for purpose

🎤 Presenter: Rachel Halvorsen (University of Washington)💾 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/paper/32777">PDF presentation</a><h3>Abstract</h3>Historically, tile-based Fisher ratio (F-ratio) analysis of comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC-TOFMS) data was developed for analysts to obtain a hit list to discover which analytes are top hits that most significantly distinguish the sample classes, with lower F-ratio hits being ignored and/or discarded. To broaden the scope of tile-based F-ratio analysis we explore the ability of the software to discover all analyte components that are detected in a set of samples, taking full advantage of the tiling aspect of the software which mitigates the adverse impact of sample run–to–sample run retention time misalignment.&nbsp;For this study a set of nine petroleum samples are simultaneously analyzed and statistically compared via p-testing to blank chromatograms to produce one comprehensive hit list. The pin locations and signal areas at the top m/z F-ratio are used together with replicate blanks to generate a master peak table (MPT) that in turn is used to generate sample-specific peak tables (SSPT) for each sample that are naturally retention-time aligned via the F-ratio software. The nine petroleum samples vary to a large extent in the identity and number of analytes present, and a large number of trace analytes were discovered across samples. This workflow also facilitated generating simulated distillation curves for the nine petroleum samples to provide further chemical distribution insight.<h3>Video Transcription</h3>Comprehensive two-dimensional gas chromatography coupled with mass spectrometry (GC×GC–MS) represents a powerful analytical technique for the characterization of complex mixtures such as petroleum-derived products. The enhanced separation capacity achieved through orthogonal chromatographic dimensions significantly increases peak capacity; however, it simultaneously introduces challenges in data processing and interpretation.This work presents a chemometric workflow designed to generate sample-specific peak tables from GC×GC–MS datasets. The approach was developed in collaboration with industrial partners, including Chevron, with the aim of enabling comprehensive compositional analysis of petroleum samples.<h4>Analytical Strategy and Instrumental Configuration</h4>The analytical method employed a conventional GC×GC separation strategy tailored for petroleum matrices:<ul><li>First dimension (1D): Nonpolar stationary phase for separation based primarily on volatility</li><li>Second dimension (2D): Highly polar stationary phase to enhance orthogonal separation</li><li>Modulation: Thermal modulation to transfer effluent from the first to the second dimension</li></ul>This configuration enables the transformation of complex chromatographic signals into structured two-dimensional datasets, often visualized as folded chromatograms for improved interpretability.The use of a highly polar second dimension was intentionally selected to maximize separation of chemically diverse analytes. In some cases, controlled “wraparound” effects were accepted, provided that coelution was avoided, thereby increasing effective peak capacity.<h4>Challenges in GC×GC–MS Data Processing</h4>While GC×GC–MS significantly improves separation, it produces a large number of peaks, including:<ul><li>High-abundance compounds representing bulk composition</li><li>Trace-level analytes with low signal intensity</li><li>Instrumental background contributions (e.g., column bleed)</li></ul>Standard peak detection approaches often struggle to:<ul><li>Capture low-intensity analytes</li><li>Distinguish true signals from background noise</li><li>Generate reproducible, sample-specific peak lists</li></ul>These challenges necessitate robust chemometric tools capable of handling high-dimensional datasets.<h4>Chemometric Workflow Overview</h4>The proposed workflow consists of the following key steps:<ol><li>Acquisition of replicate datasets<ul><li>Three replicates per sample</li><li>Inclusion of blank replicates treated as a separate “sample class”</li></ul></li><li>Tile-based F-ratio analysis<ul><li>Identification of statistically significant features across sample classes</li></ul></li><li>Tile-based P-test filtering (novel step)<ul><li>Determination of analyte presence in individual samples</li></ul></li><li>Generation of sample-specific peak tables<ul><li>Comprehensive list of detected analytes per sample</li></ul></li></ol><h4>Tile-Based F-Ratio Analysis</h4>Tile-based F-ratio analysis evaluates the ratio of:<ul><li>Between-class variance</li><li>Within-class variance</li></ul>This metric highlights regions of the chromatogram where signal intensity differs across samples.<h5>Key methodological modification</h5>Unlike conventional approaches, blank samples were treated as an independent sample class. This ensures that:<ul><li>Even analytes present at similar levels across all real samples exhibit variance relative to the blank</li><li>Low-contrast but analytically relevant features are retained</li></ul>Importantly, no F-ratio threshold was applied, allowing retention of both high- and low-variance features for further evaluation.<h4>Detection of Trace Analytes</h4>Visualization of chromatographic data revealed that:<ul><li>Linear-scale chromatograms underestimate late-eluting, low-intensity analytes</li><li>Log-scale representation exposes a large population of trace compounds</li></ul>This observation underscores the importance of including low-intensity signals in comprehensive peak detection workflows.<h4>Tile-Based P-Test for Analyte Confirmation</h4>The key innovation of this work lies in the application of a tile-based P-test to determine whether detected features correspond to true analytes in specific samples.<h5>Method principle</h5><ul><li>Signal distributions from blank tiles are used to estimate instrumental background noise</li><li>A Gaussian distribution is assumed for noise behavior</li><li>A confidence interval (e.g., 99%) is established</li><li>Each detected feature is tested against this threshold</li></ul><h5>Outcome</h5><ul><li>Features exceeding the threshold are classified as true analytes present in the sample</li><li>Features below the threshold are considered background or noise</li></ul>This approach enables objective discrimination between real peaks and background contributions, even for low-intensity signals.<h4>Reproducibility Across Replicates</h4>Analysis of replicate data demonstrated:<ul><li>High consistency in analyte classification</li><li>Only ~6.3% of features showed disagreement across replicates</li></ul>In most cases:<ul><li>All replicates consistently passed or failed the P-test</li><li>This supports the robustness of the statistical approach</li></ul><h4>Generation of Sample-Specific Peak Tables</h4>The final output of the workflow is a sample-specific peak table, representing:<ul><li>All confidently detected analytes in a given sample</li><li>Inclusion of both major and trace-level compounds</li></ul>Notably:<ul><li>Approximately 50% of detected peaks correspond to low-abundance analytes</li><li>The number of detected peaks increases with sample complexity</li></ul>This highlights the ability of the method to capture comprehensive chemical information, including minor constituents.<h4>Advantages of the Proposed Approach</h4>The presented workflow offers several key benefits:<ul><li>Retention time robustness due to tile-based analysis</li><li>Improved detection of trace analytes without extensive manual intervention</li><li>Reduced sensitivity to chromatographic shifts</li><li>Applicability to complex mixtures, particularly petroleum products</li><li>Compatibility with commercially available software tools</li></ul>Furthermore, the approach is adaptable to other chemometric frameworks, including variance-based methods, making it broadly applicable across analytical workflows.<h4>Conclusion</h4>The integration of tile-based F-ratio analysis with a novel P-test filtering strategy provides an effective solution for comprehensive peak detection in GC×GC–MS datasets. By leveraging statistical evaluation of signal versus background, the method enables reliable generation of sample-specific peak tables, capturing both major and trace-level analytes.This workflow represents a valuable advancement in chemometric data processing for complex analytical systems and offers strong potential for application across a wide range of sample types beyond petroleum matrices.<blockquote>This text has been automatically transcribed from a video presentation using AI technology. It may contain inaccuracies and is not guaranteed to be 100% correct.</blockquote>

Tile-based Fisher ratio of GC×GC-TOFMS data in petroleum samples (Rachel Halvorsen, MDCW 2026)

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 6th 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, poster by MDCW / William &amp; Mary and brochure by Shimadzu!<h3>1. Agilent Technologies: High-Throughput BTEX Analysis in Nail Products by SPME and GC/TQ</h3>Minimal steps, maximum precision<ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_btex_analysis_nail_products_spme_gctq_5994_9009en_agilent_24ef32dd13.pdf">Full PDF for download</a></li></ul>BTEX compounds—benzene, toluene, ethylbenzene, and xylenes—are volatile aromatic hydrocarbons widely used as solvents in industrial and consumer products. Among these, toluene is the most prevalent in nail polish formulations, where it serves as a solvent to dissolve resins and pigments, ensuring smooth application, uniform color dispersion, and rapid drying. Historically, these properties made toluene a preferred ingredient in nail coatings, including traditional polishes, gel formulations, and nail art products. However, its inclusion presents challenges for regulatory compliance and product reformulation. In response to these challenges, the California Department of Toxic Substances Control (DTSC) has listed nail products containing toluene as Priority Products under the Safer Consumer Products Regulations.1 Manufacturers selling such products in California must submit a Priority Product Notification and conduct an Alternative Analysis if toluene concentrations exceed the 100-ppm threshold.&nbsp;To support compliance and ensure accurate monitoring of BTEX levels in nail products, robust analytical methods are essential. Solid phase microextraction (SPME) coupled with gas chromatography/triple quadrupole mass spectrometry (GC/TQ) has emerged as a preferred approach for volatile organic compound analysis due to its solvent-free sample preparation, high sensitivity, and compatibility with complex cosmetic matrices. The 8890 GC with 7000 Series GC/TQ offers enhanced detection capabilities through dynamic multiple reaction monitoring (dMRM), enabling precise quantification of BTEX compounds at trace levels, below regulatory thresholds. This platform provides the analytical rigor required for method validation, including limits of detection, recovery, and precision, ensuring compliance with California's stringent performance criteria and supporting industry efforts toward improving consumer product&nbsp;quality.&nbsp;<h4>Experimental</h4><h5>GC/TQ analysis&nbsp;</h5>Analyses were performed on an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC">8890 GC</a> coupled to a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7000">7000 Series GC/TQ </a>equipped with an EI extractor ion source (Figure 2). The instrument operating parameters are listed in Table 2. The system was operated in splitless mode with an inlet temperature of 200&nbsp;°C, a purge flow of 3 mL/min, and a purge flow to split vent of 50&nbsp;mL/min at 2&nbsp;minutes. Carrier gas was helium at a constant flow of 0.693&nbsp;mL/min with a total flow of 53.7 mL/min. The chromatographic separation was accomplished on an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=DB-624+Ultra+Inert+column">Agilent J&amp;W DB-624 Ultra Inert column</a> (20&nbsp;m × 0.18&nbsp;mm, 1&nbsp;µm, part number 121-1324UI). The oven program started at 40&nbsp;°C (hold 2&nbsp;minutes), ramped at 35&nbsp;°C/min to 160&nbsp;°C, and held for 2.58&nbsp;minutes, giving a total run time of 8.0&nbsp;minutes. The transfer line was maintained at 230&nbsp;°C, with the ion source at 230&nbsp;°C and quadrupoles at 150&nbsp;°C.<h4>Conclusion&nbsp;</h4>A rapid, high-throughput headspace‑SPME GC/TQ method was developed for quantifying BTEX in nail product matrices, using a 100-µm PDMS Agilent Smart SPME fiber on an Agilent 8890 GC with Agilent 7000 Series GC/TQ. The method provides solvent-free extraction, 8-minute chromatographic runs, and an ~11-minute total cycle time, enabling high-throughput analysis with robust selectivity in dMRM mode. Quality control results demonstrated mean recoveries of 100 to 107% with RSDs ≤ 8%, meeting method acceptance criteria for compliance-focused testing for toluene. Integration of Smart SPME automation and the intelligent features of the 8890 GC and 7000 Series GC/TQ allows a practical, defensible solution for routine laboratories monitoring BTEX in nail products. Calibration performance showed high linearity and low variance across the working ranges, with all compounds meeting initial calibration criteria via R² ≥ 0.995 or average RF RSD ≤ 20%. Combined with the short cycle time and automated fiber tracking, this workflow is ideally suited for routine compliance testing of BTEX in nail products using the 8890 GC and 7000&nbsp;Series GC/TQ.<h3>2. BaySpec: Detection of residual pesticides on fruits and vegetables using Portability miniature mass s pectrometer</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_Portability_Pesticides_4a7311fb3e.pdf">Full PDF for download</a></li></ul>Pesticides are used in a variety of different ways during the production of food. Ranging from preventing crop damage by insects, rodents and molds during growth to prolonging storage of food after harvest. Because of the frequent usage, the residual pesticides are often found in many agricultural products and their monitoring and control is an important step in achieving and maintaining overall food safety in the modern society.&nbsp;Mass spectrometry in connection with different separation techniques currently represents the main analytical approach for determination of residual pesticides in food. Traditionally, samples need to be collected and send to a laboratory for analysis using techniques such as GC-MS or HPLC-MS, which are costly and time-consuming. In addition, the conventional mass spectrometry usually requires laborious sample pretreatment, which does not allow for immediate in-situ sample determination. Presented here is an application of Thermal Desorption ElectroSpray Ionization (TD-ESI) for pesticide screening coupled to a portable mass spectrometer.&nbsp;TD-ESI is a mass spectrometry technique from the family of ambient ionization methods that utilizes very simple probing of different surfaces with no or limited sample pretreatment while it is still noted for its selective and sensitive detection capabilities. In TD-ESI a solid surface or a liquid sample is touched by a simple metallic probe that absorbs the analyte. The probe is then inserted into a heated tube and the desorbed analyte is carried by gas flow into an orthogonally mounted electrospray. The electrospraty plume extracts the analyte and further ionization and ion introduction follows the conventional electrospray mechanism.&nbsp;<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2219">Bayspec’s Portability mass spectrometer</a> is less than 10kg highly portable and battery operated linear ion trap mass spectrometer with atmospheric pressure inlet (API). When TD-ESI is combined with PortabilityTM then it is possible to perform fast in-field detection of analytes including residual pesticides, directly of the surfaces of fresh food products without any sample pre-treatment. Fast pesticide screening by Portability mass spectrometer can immediately disclose fake organic food products as well as to discover elevated levels of residual pesticides.&nbsp;TD-ESI-MS was used to rapidly screen residual pesticides on the surfaces of different fruits and vegetables. Direct sampling probe was used to introduce analytes from surfaces of unprocessed samples. Due to short analysis times (1-5s a sample), the technique allows for fast screening for applications in food and environmental safety. MS (as well as MS/MS) analyses can be performed on surface-residual pesticides at ppm and sub-ppm levels. The miniaturized TD-ESI ion source compatible with Portability is available from BaySpec. This ion source mounts on the Portability front inlet and does not require any additional support, external power or gases. The simple intuitive software interface is operated by touch screen and makes the instrument extremely easy to control. The external TD-ESI source is fully integrated into the main software environment and the hyphenated system is thus very user-friendly, does not require excessive training and can be operated by persons with no previous mass spectrometry experiences.<h3>3. MDCW / William &amp; Mary: Volatile Characterization of American Foulbrood Disease Using Comprehensive Two-Dimensional Gas Chromatography</h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_15_Christensen_39521e3391.pdf">Full PDF for download</a></li></ul>American foulbrood (AFB) is a deadly disease spread by Paenibacillus larvae bacterial spores, targeting the brood stage of Apis mellifera honey bees. Broods perish in a matter of days after exposure to the spores, forming infected colloidal scales in the hive that adult bees cannot remove. 1,2 The spores are extremely persistent and resistant to typical treatment methods, which standardized the immediate euthanasia of bees and destruction of the hive and associated equipment by burning. 3 In an effort to expedite identification of the spores, scent-detection dogs have been trained for use in apiaries. Furthermore, gammairradiation has been tested as a proposed treatment method as it would offer a nondestructive alternative to sterilization.The goals of this study were to use comprehensive two-dimensional gas chromatography – time-of-flight mass spectrometry (GC×GC-TOFMS) to characterize the volatiles associated with AFB disease for understanding scent detection and to measure the effectiveness of gamma-irradiation in sterilizing these volatiles.<h4>Methods</h4>Samples included blanks, material from healthy comb, aged unsterilized diseased scales, fresh unsterilized diseased scales, and diseased scales sterilized with the proposed treatment method of gamma-irradiation. These samples were stored in headspace vials (Figure 3) in the freezer when not in use. No sample preparation was required before injection with solidphase microextraction using the LPAL-3 (CTC Analytics).Analysis was performed using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/37">Pegasus BT4D</a> (LECO Corporation) according to the parameters described below in Table 1. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41">ChromaTOF software</a> (LECO Corporation) was used to analyze the chromatographic data. Preliminary identifications were assigned to peaks using a minimum signal to noise of 200 and a minimum stick count of 3.<h4>Conclusions</h4>GC×GC-TOFMS can be used to distinguish the volatile profiles of A. mellifera samples at different stages of infection with AFB disease. Future Directions for Research:&nbsp;<ul><li>Discrimination of volatiles specific to AFB from non-specific volatiles&nbsp;</li><li>Characterization of AFB-specific volatiles for scent-detection purposes&nbsp;</li><li>Measurement of gamma-irradiation sterilization success in removing AFB volatiles</li></ul><h3>4. Shimadzu: Screening System for Phthalate Esters, Brominated Flame Retardants and Other Regulated Substances Py-Screener Ver.3</h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c146_e507_45f041b0d7.pdf">Full PDF for download</a></li></ul>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Py-Screener">Py-Screener™ Ver. 3</a> can screen for 7 types of phthalate esters and brominated flame retardants (PBBs, PBDEs), including substances regulated under the RoHS Directive. In addition, it can also test for PIP (3:1), which is regulated under the US TSCA (Toxic Substances Control Act), as well as UV-328, Dechlorane Plus (DP), and short-chain chlorinated paraffins (SCCPs) and medium-chain chlorinated paraffins (MCCPs), which are regulated under the Stockholm Convention (POPs Convention) on Persistent Organic Pollutants (POPs). These regulated compounds, thermally extracted from the sample by Pyrolysis-GC-MS (Py-GC-MS), are selectively detected and quantified. Py-Screener Ver. 3 consists of dedicated software for easy screening, special standard samples, and a sampling tool kit, making it simple to operate even for first-time users.<h5>Shimadzu Corporation’s Solutions for Complying with International Hazardous Substance Regulations</h5>When manufacturing and exporting products, it is necessary to comply with the chemical and hazardous substance regulations established by each country. Products contain many parts and use various materials and substances. Therefore, it is the manufacturer’s responsibility to manage the entire supply chain to ensure that harmful substances are not contained. Shimadzu Corporation provides analysis solutions that comply with these regulations.<h5>Applicable Systems and Software</h5><ul><li>GC-MS: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2020+NX">GCMS-QP™2020 NX</a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2020">GCMS-QP2020,</a> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2010+Ultra">GCMS-QP2010 Ultra</a></li><li>Pyrolyzer: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=42&amp;search=EGA%2FPY-3030D">EGA/PY-3030D</a> multi-shot pyrolyzer</li><li>Autosampler: AS-2020E, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=42&amp;search=AS-1020E">AS-1020E auto-shot sampler&nbsp;</a></li><li>GC-MS Workstation: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMSsolution">GCMSsolution</a>™ (Ver. 4.60SP2 or later) + <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=LabSolutions+Insight">LabSolutions Insight</a>™ (Ver. 5.0 or later)</li><li>Py Workstation: EGA-PY3030 program (Ver. 1.54 or later)</li></ul>

News from LabRulezGCMS Library - Week 15, 2026

Article

Application

Academy

Video

Presentation

Poster

The Multidimensional Chromatography (MDC) Workshop draws experts in this exciting field to share and discuss their research.

The Multidimensional Chromatography Workshop

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.

Eurachem

Everything from the world of analytical chemistry in one place. We connect people in solving their problems. At Labrulez you will find all the necessary information easily, quickly and clearly. Stop searching and start finding.

LabRulez

Separation Science

Agilent Technologies

Teledyne LABS

Thermo Fisher Scientific

C&EN

Waters Corporation

A virtual event sharing the latest in Agilent´s smart, connected Gas Chromatography instruments.
This series of three presentations builds on how to improve your GC analysis and includes tips and tricks of which things to be aware of when you want to improve or troubleshoot your GC analysis and prevent downtime of the GC.
During these training sessions, Agilent Smart solutions and the latest developments in both consumables and instrumentation will be discussed. 
The meeting is a mix of on demand content and live Q&amp;A sessions.
<h3>Agilent GC Maintenance and Connections</h3>
Installation care and maintenance is something that is important for the daily GC analysis. We will cover the entire GC flow path and the components that can influence your chromatography and needs maintenance. We´ll investigate things such as column connections, CFT connections, self tightening column nuts, Gold ferruls , Smart Key´s and unique features of our Intuvo GC, which can greatly simplify your routine maintenance and a small revolution on how to do connections in GC.
<blockquote>
Presenter: Mads Lundgren Petersen (GCMS Product Specialist, Agilent Nordics)
</blockquote>
<blockquote>
Presenter: Jan Willem Marinissen (Consumables Support)
</blockquote>

Agilent Technologies: This is how you do GC, Better!

Agilent GC Maintenance and Connections

A virtual event sharing the latest in Agilent´s smart, connected Gas Chromatography instruments.
This series of three presentations builds on how to improve your GC analysis and includes tips and tricks of which things to be aware of when you want to improve or troubleshoot your GC analysis and prevent downtime of the GC.
During these training sessions, Agilent Smart solutions and the latest developments in both consumables and instrumentation will be discussed. 
The meeting is a mix of on demand content and live Q&amp;A sessions.
<h3>Agilent Troubleshooting with Agilent Smart GC</h3>
We´re discussing the most common top 3 issues seen in GC and how to troubleshoot them. It will deal with some common issues with GC and what possible actions to take to prevent them or to solve them. This session will also contain a LIVE demonstration of Smart GC diagnostics and troubleshooting functionality.
<blockquote>
Presenter: Mads Lundgren Petersen (GCMS Product Specialist, Agilent Nordics)
</blockquote>
<blockquote>
Presenter: Jan Willem Marinissen (Consumables Support)
</blockquote>

Agilent Troubleshooting with Agilent Smart GC

The high degree of specificity provided by high-resolution accurate-mass capabilities of the Thermo Scientific™ Orbitrap Exploris™ GC mass spectrometer provides the most crucial information for confident elemental composition determination of each observed mass fragment in a mass spectrum.
Combining this with new tools in Thermo Scientific™ Compound Discoverer™ software for EI and CI mass spectrum analysis provides a powerful method to identify compounds. Furthermore, statistical tools within Compound Discoverer software allow the detection of differences between samples that is required in many application areas, including food authenticity testing. 
<blockquote>
Presenter: Dr. Suresh Seethapathy (Senior Applications Scientist, Thermo Fisher Scientific)
</blockquote>
<blockquote>
Suresh is a Senior Applications Scientist and a member of the GC and GC‑MS applications support team at Thermo Fisher Scientific. Suresh obtained his Ph.D. at the University of Waterloo in Canada and has special interest in the areas of sample preparation, GCxGC, and small molecule compound identification. He currently supports GC and GC-MS hardware, software, and applications demonstration, specializing in the GC Orbitrap series.
</blockquote>

Thermo Scientific: GC Orbitrap Digital Demos

Food Authenticity Testing using High-Resolution Accurate-Mass Orbitrap GC-MS and Thermo Scientific Compound Discoverer Software

Separation Science, in collaboration with Agilent, offers an upcoming webinar in which the presenters will impart their expert knowledge from examples that they have experienced and worked through to help troubleshoot GC/MS problems.
Have you ever been sitting in front of your GC/MS instrument trying to troubleshoot a problem and thought, &quot;I have no idea what to do? What do I look at first? I bet an expert knows exactly what is wrong.&quot;
<ul>
<li>When we observe peak tailing, do we immediately change a column?</li>
<li>If we observe peaks that are ¼ expected size, do we immediately vent the GC/MS to clean the source and change the column? Or, is it better to check the samples, syringe, and inlet before jumping into those time-intensive actions?</li>
<li>Does the deactivation of a column or liner REALLY matter? (The short answer is Yes!)</li>
</ul>
We’ll discuss how to use artifacts observed in chromatograms and tune reports to diagnose the problem, fix the problem, and &#39;future proof&#39; your analysis with the best supplies, columns, and solutions.
<h3>By attending this presentation you will:</h3>
<ul>
<li>Learn how to half-split and troubleshoot through problems on a GC/MS, just like we do as Agilent scientists</li>
<li>Learn about GC and MS supplies and columns and how choosing the right supplies can affect the outcome of your analysis…for better or worse!</li>
</ul>
<blockquote>
Presenter: Angie Smith-Henry (Applications Chemist for GC and MS Supplies, Agilent)
</blockquote>
<blockquote>
Angie is is an applications chemist for GC and MS Supplies at Agilent in Wilmington, Delaware, USA. Previously, she was an applications chemist for the MSD Solutions and Applications group with a focus on developing analysers and applications for energy, chemical and environmental markets. Angie holds a PhD in Physical Chemistry from Lehigh University and BS in Chemistry from Juniata College.
</blockquote>
<blockquote>
Presenter:Vanessa Abercrombie (Gas Chromatography Applications Chemist, Agilent)
</blockquote>
<blockquote>
Vanessa is a GC Applications Chemist at Agilent in Folsom, California, USA. Vanessa has a broad background in GC and GC/MS, including experience as an instrument chemist at Bode Technology in Virginia working under contract to the FBI’s Laboratory Division. Prior to that, Vanessa worked for ETS Labs in St. Helena, California as an Analytical Chemist where she researched and developed quantitative separations by GC/MS and UHPLC for beer, wine, and spirits. She holds a Master of Forensic Science from The George Washington University and a Bachelor of Arts in Chemistry from Sonoma State University. 
</blockquote>

Agilent Technologies: How to Troubleshoot and Improve your GC/MS like an Agilent Scientist

How to Troubleshoot and Improve your GC/MS like an Agilent Scientist

Gain insight from our presentations that are focused on everyday analytical challenges with non-targeted fragrance and flavor applications. Following the speakers sessions, you are invited to interact with our application chemists and engineers who will be available to provide guidance and expertise for all your hardware, software, and application related questions. Please make sure to bring your questions or submit them when you sign up. We hope to see you there!
<h3>Day 1</h3>
<h5>18:30 – 18:55 (CEST) Enhanced Extraction using a combination of Stir Bar Sorptive Extraction and Thin Film-Solid Phase Microextraction</h5>
Abstract: The analysis of flavor components faced many challenges due to the complexity of its nature. In this study, a new method combining stir bar sorptive extraction (SBSE) and thin-film solid-phase microextraction (TFSPME) was developed and optimized. Polydimethylsiloxane (PDMS)-coated SBSE and PDMS/carboxen (PDMS/CAR)-coated TF-SPME were used, and both headspace and direct immersion extraction modes were also studied. Using 40 common volatile compounds, the combined method generally showed improvements in terms of linearity range, coefficient of determination, sensitivity and recoveries when compared to SBSE-only or TFSPME-only techniques. Furthermore, despite the combined use of two extraction devices, the repeatability and reproducibility of the combined method were comparable to SBSE-only or TFSPME-only results. Finally, the developed method was being successfully applied onto tea and coffee samples.
<blockquote>
Presenter: Ms. Huang Yunle (Department of Food Science and Technology, National University of Singapore, collaborating with Mane)
</blockquote>
<h5>18:55 – 19:25 (CEST) Utilizing SPME and SBSE With Automated internal Standard Dosing via Gerstel Robotic Pro MPS for Unknown Samples</h5>
Abstract: Many flavor companies are looking to increase efficiencies and reduce waste in the laboratory. Turning to automated, semi-automated and solventless extraction techniques for gas chromatography mass spectrometry (GCMS) analysis is becoming increasingly more common, partly because it reduces solvent usage and waste generation. These techniques include Solid Phase Micro Extraction (SPME) and Stir Bar Sorptive Extraction (SBSE) aka Gerstel Twister ™, Direct Thermal Desorption (DTD), Dynamic Headspace (DHS) and Thin Film SPME (TF-SPME). Using more than one of these techniques on a given sample can yield different results based on the chemistry of the compounds present in the sample and the complexity of the matrix thus providing a more detailed analytical profile. In addition, these techniques are compatible with automated internal standard dosing via the Robotic Pro MultiPurpose Sampler (MPS) which increases both efficiency and accuracy while decreasing waste.
<blockquote>
Presenter: Michelle Rose (Sr. Analytical Chemist, Synergy Flavors, Inc)
</blockquote>
<h5>19:25 – 20:00 (CEST) Panel Discussion</h5>
<blockquote>
Presenter: Ms. Huang Yunle (Department of Food Science and Technology, National University of Singapore, collaborating with Mane)
</blockquote>
<blockquote>
The analysis of flavor components faced many challenges due to the complexity of its nature. In this study, a new method combining stir bar sorptive extraction (SBSE) and thin-film solid-phase microextraction (TFSPME) was developed and optimized. Polydimethylsiloxane (PDMS)-coated SBSE and PDMS/carboxen (PDMS/CAR)-coated TF-SPME were used, and both headspace and direct immersion extraction modes were also studied. Using 40 common volatile compounds, the combined method generally showed improvements in terms of linearity range, coefficient of determination, sensitivity and recoveries when compared to SBSE-only or TFSPME-only techniques. Furthermore, despite the combined use of two extraction devices, the repeatability and reproducibility of the combined method were comparable to SBSE-only or TFSPME-only results. Finally, the developed method was being successfully applied onto tea and coffee samples.
</blockquote>
<blockquote>
Presenter: Michelle Rose (Sr. Analytical Chemist, Synergy Flavors, Inc)
</blockquote>
<blockquote>
Michelle Rose is a Senior Analytical Chemist at Synergy Flavors in Wauconda, Il, where she uses advanced analytical techniques and testing methods to support teams across Research &amp; Development, Quality Control and Operations in the US and Brazil.
</blockquote>
<blockquote>
Specializing in the testing of volatile and non-volatile components in foods, beverages, flavors, extracts and essences, Michelle plays a crucial role in the development and quality manufacturing of flavor solutions for growing CPG brands. She keeps her team one step ahead in the highly competitive flavor industry through the continual expansion of knowledge, best practices and efficiencies in analytical science.
</blockquote>
<blockquote>
Michelle started her career at Quest International and Kerry Biosciences before joining Synergy Flavors in 2006. She holds a BS of Chemistry from Iowa State University
</blockquote>

Agilent Technologies: Flavor and Fragrance Virtual Users' Workshop

Flavor and Fragrance Virtual Users' Workshop: Day 1

Gain insight from our presentations that are focused on everyday analytical challenges with non-targeted fragrance and flavor applications. Following the speakers sessions, you are invited to interact with our application chemists and engineers who will be available to provide guidance and expertise for all your hardware, software, and application related questions. Please make sure to bring your questions or submit them when you sign up. We hope to see you there!
<h3>Day 2</h3>
<h5>18:30 – 18:55 (CEST) Routine simultaneous quantification of 61 allergens in fragrance raw materials by a GC×GC-qMS method</h5>
Abstract: Quantifying allergens in fragrances is a novel challenge where development in methods is needed to increase speed, reliability, and quality. This presentation looks at the analysis of 64 fragrance allergens using bi-dimensional gas chromatography hyphenated with mass spectrometry and a flame ionization detector. This work developed a quantification method for fragrance allergens using GCxGC-MS/FID that allows quantification of a wide variety of allergens in a single run without the need for sample dilutions, multiple injections and obtains reliable and robust results.
<blockquote>
Presenter: Emilie Belhassen (Analytical Scientist, Firmenich SA, Switzerland)
</blockquote>
<h5>18:55 – 19:25 (CEST) State-of-the-art Sample preparation techniques for Flavor Analysis: New Trends Towards more Automation, Miniaturization and Solventless Sample Preparation Techniques</h5>
Abstract: Food and beverage companies rely on accurate and detailed aroma profiling to deliver high-quality products with consistent key flavour compound profiles and to develop new products. Quality and reliability of aroma analysis by capillary gas chromatography (GC) is greatly affected by the applied sample preparation technique. Conventional solvent-based extraction techniques can now be miniaturized and automated, but still suffer sometimes from severe matrix contamination resulting in poor chromatographic performance. New GC technologies can be implemented to avoid such matrix influence on performance. 
Solvent-based extraction techniques are also increasingly being replaced by solventless techniques, such as dynamic headspace sampling (DHS), which is suitable for the characterization of aromas in food and beverages. The technique can also be fully automated and delivers full aroma profiling covering a wide volatility range due to less selectivity than other headspace enrichment techniques. Besides the principle of DHS, the flexibility of working in different DHS modes and the high sensitivity that can be reached with DHS enrichment, it will be shown how to successfully implement DHS for aroma profiling purposes depending on the type of food matrix and the volatility range that needs to be covered
<blockquote>
Presenter: Christophe Devos (Senior Scientist / Project Manager, RIC Technologies Group)
</blockquote>
<h5>19:25 – 20:00 (CEST) Panel Discussion</h5>
<blockquote>
Presenter: Emilie Belhassen (Analytical Scientist, Firmenich SA, Switzerland)
</blockquote>
<blockquote>
Emilie Belhassen is currently an analytical scientist at Firmenich in Switzerland. She obtained her PhD in 2014 from the University of Nice working on oderants analysis using two-dimensional GC techniques and subsequently joined Firmenich as a post-doctoral researcher working on fragrance allergens.
</blockquote>
<blockquote>
Presenter: Christophe Devos (Senior Scientist / Project Manager, RIC Technologies Group)
</blockquote>
<blockquote>
Christophe Devos received his Ph.D. degree in Analytical Chemistry in 2007 from the Ghent University. During his Ph.D study he developed analytical methods for ultra-trace analysis of organometallic compounds in environmental samples that he then applied in a laboratory complying under GMP regulation. He then joined the Research Institute for Chromatography (RIC group), Kortrijk, Belgium in 2005where he initially was involved in the development and automation of novel sample preparation methods for gas chromatographic analysis. He presently occupies the position of Senior Scientist / Project Manager within the RIC Technologies group developing and supporting new analytical solutions and important market applications.
</blockquote>

Flavor and Fragrance Virtual Users' Workshop: Day 2

With the onset of Covid-19, a pivot was required to facilitate online labs and distance learning. This posed a significant challenge to our laboratory sessions which are integral to our programs. Laboratory videos were created to show the students what they would have done, with synchronous session narrated by our teaching assistants to create an engaging session. To allow for asynchronous learning we worked to develop augmented reality experiences to allow students to interact with the equipment and have a better idea of what they would have done in the lab.
Augmented reality experiences were created to increase student confidence in lower-level labs but were used quite differently in upper-level labs. In our Chromatography and Spectroscopy courses we are using augmented reality to show the inner workings of the instrumentation. This dispels the black box aspect that modern equipment has. Being able to view the beam path or the working of a quadrupole on a mass spectrometer helps students visualize things that they would never be able to see in the lab.
<h3>Key Learning Objectives</h3>
<ul>
<li>The changes required to reach the modern learner</li>
<li>How to appropriately deploy training videos</li>
<li>The process of creating augmented reality experiences (the design side, not the IT side)</li>
<li>The challenges of remote learning of laboratories</li>
</ul>
<h3>Who Should Attend</h3>
<ul>
<li>Educators</li>
<li>Trainers</li>
<li>Laboratory Managers</li>
<li>and anyone looking to reach the modern learner.</li>
</ul>
<blockquote>
Presenter: Shawn McFadden (Technical Specialist, Lab Coordinator, Ryerson University)
</blockquote>
<blockquote>
Presenter: Ann Thayer (Contributing Editor, C&amp;EN Media Group)
</blockquote>

C&EN Media Group: Augmented Reality as a Complement When In-Lab Is Not Possible

Augmented Reality as a Complement When In-Lab Is Not Possible

Determination of cannabinoid content in cannabis and cannabinoid products derived from cannabis and hemp is regulated in every jurisdiction where medicinal or adult use recreational programs have been legalized. A primary purpose of this testing is to quantify the total amount of psychoactive Δ9-tetrahydrocannabinol and other pertinent cannabinoids such as total cannabidiol, cannabinol, and cannabigerol content.
High performance liquid chromatography with ultra-violet detection is the most common choice for the analysis. Gas-phase applications can also be used but the laboratory must determine if they will chemically modify (derivatize) the target cannabinoids or analyze them in their natural state. This choice affects sample preparation procedures and the analytical conditions of the gas chromatography (GC) system. 
This article focused on the use of GC–mass spectrometry (MS) for the analysis of derivatized cannabinoids in hempseed oil matrix. Sample preparation and synthetic conditions for silylation are discussed. Analytical results and observations of artifacts resulting from the derivatization processes and the analytical system are presented.
Agilent products and solutions are intended to be used for analytical testing of cannabis in laboratories where such use is permitted under state/country law.
<blockquote>
Presenter: Anthony Macherone, PhD (Senior Scientist, Agilent Technologies, Inc.)
</blockquote>
<blockquote>
For the past several years, Anthony has been leading a team of Agilent scientists for the development and deployment of analytical testing methodologies to assure quality and safety of cannabis products. Anthony has written extensively on cannabis testing methodologies, solving complex problems encountered when using certain analytical systems, and contributed several chapters to books on the subject. In June 2020, Anthony joined Cannabis Science and Technology®’s Editorial Advisory Board.
</blockquote>

Pixabay/Erin Stone: Derivatization Chemistries for the Analysis of Cannabinoids Using GC–MS

Derivatization Chemistries for the Analysis of Cannabinoids Using GC–MS

This 2nd episode of our Pesticide Thursdays is dedicated to the Quantification of pesticides in food using GC-MS/MS with APGC (Atmospheric Pressure Gas Chromatography)
<h3>During this episode we will demonstrate:</h3>
<ul>
<li>The performance of a large suite pesticide method using APGC which meet SANTE/12682/2019 method validation requirements</li>
<li>The performance of troublesome toxic pesticides of concern</li>
<li>The unmatched selectivity and sensitivity of this approach to GC-MSMS in challenging matrices such as infant food</li>
</ul>

Pixabay/PublicDomainPictures: GC-MS/MS multi-residue method: Using APGC for baby food analysis

GC-MS/MS multi-residue method: Using APGC for baby food analysis

We will compare the processes, methods and consistent accuracy using the Atomx XYZ Multi-matrix Concentrator.
<h3>This webinar will cover the following:</h3>
<ul>
<li>Purge and Trap Theory</li>
<li>Changes made from EPA Method C to D</li>
<li>Results of each method using prep method 5030 vs 5035</li>
<li>Challenges and Tips</li>
</ul>
The webinar is designed for analysts looking to understand EPA method 8260 C &amp; D for wastewater metrices, how it works and the process involved.
<blockquote>
Jeramiah Bradley (Applications Chemist)
</blockquote>