<p><strong>Clarity 10.2 expands instrument control capabilities with new control modules and updates the MS extension to help you work more efficiently.</strong></p><h4><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/999"><strong>Clarity</strong></a><strong> 10.2 highlights</strong></h4><ul><li>New and updated control modules</li><li>Improved MS data import and export</li><li>Obsolete hardware support ended</li></ul><h4><strong>Instrument control modules</strong></h4><p>Clarity 10.2 introduces new instrument control modules from Annuo (AS-3117, FAS-3823) and updated instrument controls form Sykam and Ecom.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Instrument_control_modules_5de26782b0.jpg" alt="DataApex: Instrument control modules" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Instrument_control_modules_5de26782b0.jpg 228w," sizes="100vw" width="380" height="260"></p><h4><strong>MS data import/export improvements</strong></h4><p>Clarity improves MS data exchange, especially for *.cdf files. MS instruments now support export and import of multiple spectral data and non-spectral signal data in the same CDF file. Import also better handles uniform sampling information, m/z Step values, scale factors, and file names with non-ASCII characters. Exporting individual chromatogram signals from MS instruments is now available through a separate Export Chromatogram dialog.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_MS_data_import_export_improvements_a7967a4020.jpg" alt="DataApex: MS data import-export improvements" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_MS_data_import_export_improvements_a7967a4020.jpg 228w," sizes="100vw" width="378" height="259"></p><h4><strong>Obsolete hardware support terminated</strong></h4><p>Due to changes in Windows driver security requirements, this update discontinues support for obsolete hardware, including INT7, INT9, U-PAD, U-PAD2, and CB20.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Obsolete_hardware_support_terminated_24d9329419.jpg" alt="DataApex: Obsolete hardware support terminated" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Obsolete_hardware_support_terminated_24d9329419.jpg 228w," sizes="100vw" width="378" height="259"></p><blockquote><p><strong>Explore the complete list of all changes, fixes, and additions in version 10.2.</strong></p><p><strong>👉</strong><a target="_blank" rel="noopener noreferrer" href="https://www.dataapex.com/version_history?product=1"><strong>See the complete changelog&nbsp;</strong></a></p></blockquote>

Clarity Chromatography Software 10.2 released!

<p><strong>Traditional EI library searching works exceptionally well when the unknown compound is already present in the spectral library. However, analytical chemists frequently encounter compounds that are structurally related to library entries but are not exact matches. NIST's EI Hybrid Search addresses this challenge by combining conventional spectral matching with mass-shifted fragment alignment, allowing the identification of analogs, derivatives, and novel compounds that may not exist in the database.</strong></p><p>This guide summarizes the workflow presented by James Little and demonstrates how to use NIST 26 Hybrid Search in conjunction with the Chromatogram Window and MS Interpreter to obtain more meaningful structural information from unknown EI GC-MS spectra.</p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/paper/33370"><strong>You can download PDF Handout for this guide HERE</strong></a></p></blockquote><h4><strong>Why Hybrid Search Matters</strong></h4><p>Conventional EI library searching relies on direct matching between an unknown spectrum and spectra stored in a library. Hybrid Search expands this concept by allowing fragment ions to be matched even when they are shifted by a consistent mass difference (Δm). This enables the software to recognize compounds that differ by substituents or structural modifications.</p><p><strong>Key advantages include:</strong></p><ul><li>Identification of structurally related compounds not present in the library</li><li>Detection of analogs, derivatives, and emerging compounds</li><li>Integration of exact fragment matches and mass-shifted matches into a single score</li><li>Improved interpretation of unknowns through proposed structural modifications</li><li>Enhanced confidence when molecular weight information is available</li></ul><p>Although Hybrid Search does not require the molecular ion to be present, performance improves significantly when the molecular weight can be estimated or constrained. In these cases, the observed mass difference between the unknown and library compounds can often be translated directly into a plausible chemical modification.</p><h4><strong>Configuring Hybrid Search</strong></h4><p>Before performing a search, the Hybrid Search settings should be configured within the NIST Library Search window.</p><p>Recommended settings:</p><ul><li>Select the Similarity search mode</li><li>Enable Hybrid Search</li><li>Keep the In Spectrum option checked under normal circumstances</li><li>Allow the software to estimate the molecular weight automatically</li><li>If the estimated molecular weight appears incorrect, manually enter a nominal molecular weight</li><li>Select all relevant libraries (NIST, Wiley, user libraries, etc.)</li><li>Save the configuration for future use</li></ul><p>The selected molecular weight used to constrain the search is displayed in the lower-right corner after the search is completed.</p><h4><strong>Optimizing the Results Display</strong></h4><p>Hybrid Search produces several unique parameters that are not shown in the default results table.</p><p>Additional columns should be added by right-clicking within the results table and selecting Properties. Recommended columns include:</p><ul><li>DeltaMass</li><li>dForm</li><li>pctRelForm</li><li>o.Match (equivalent to the traditional EI Normal Match score)</li></ul><p>Without these parameters, much of the structural interpretation power of Hybrid Search is lost.</p><h4><strong>Working with Spectra from the Chromatogram Window</strong></h4><p>Currently, the Chromatogram Window performs standard EI library searching. When a potentially interesting unknown is encountered:</p><ul><li>Perform the normal EI search in the Chromatogram Window</li><li>Send the spectrum to the standalone Library Search module</li><li>Perform a Hybrid Search using the enhanced Hybrid Search functionality</li></ul><p>This workflow combines rapid screening with advanced structural interpretation.</p><h4><strong>Understanding Key Hybrid Search Parameters</strong></h4><h5><strong>DeltaMass (Δm)</strong></h5><p>DeltaMass represents the mass difference between the unknown compound and the matched library compound.</p><p>A consistent Δm across multiple high-scoring hits often indicates a specific structural modification.</p><h5><strong>dForm</strong></h5><p>dForm provides a proposed elemental composition that explains the observed mass difference.</p><p>Examples include:</p><ul><li>H–1F</li><li>CH₂</li><li>O–1</li><li>C₁H₃F</li></ul><p>These transformations can suggest likely chemical modifications between the library compound and the unknown.</p><h5><strong>pctRelForm</strong></h5><p>New in NIST 26, pctRelForm estimates how frequently a given elemental transformation occurs relative to the most common transformation (CH₂ = 100%).</p><p>Interpretation:</p><ul><li>High values indicate chemically plausible and commonly observed transformations</li><li>Very low values suggest the proposed transformation may be accidental or unlikely</li></ul><h5><strong>o.Match</strong></h5><p>Represents the traditional EI match score and allows comparison between standard searching and Hybrid Search results.</p><h4><strong>Case Study: Identifying a Fluorinated Unknown</strong></h4><p>The presentation demonstrates the identification of an unknown compound with a proposed molecular weight of 152 Da.</p><p>Hybrid Search returned several high-scoring hits with consistent evidence suggesting fluorine substitution:</p><p><strong>Hit #1</strong></p><ul><li>Library MW: 134</li><li>DeltaMass: +18</li><li>dForm: H–1F</li><li>Interpretation: Addition of fluorine</li></ul><p><strong>Hit #5</strong></p><ul><li>Library MW: 138</li><li>DeltaMass: +14</li><li>dForm: CH₂</li><li>Interpretation: Related fluorinated analog</li></ul><p><strong>Hit #6</strong></p><ul><li>Library MW: 168</li><li>DeltaMass: –16</li><li>dForm: O–1</li><li>Interpretation: Structurally consistent fluorinated compound</li></ul><p>Multiple independent hits converged on the same conclusion: the unknown was likely a fluorinated analog of known aromatic compounds.</p><p>This illustrates the major strength of Hybrid Search: identifying structural relationships even when the exact compound is absent from the library.</p><h4><strong>Moving from Hybrid Search to Structural Interpretation</strong></h4><p>Once a plausible structure is identified:</p><h5><strong>Step 1 – Export the Structure</strong></h5><p>From the Hybrid Search results:</p><ul><li>Right-click the best hit</li><li>Use Send To → Default Structure Editor</li><li>Open the structure in a drawing program such as ChemSketch</li><li>Copy the proposed structure to the clipboard</li></ul><h5><strong>Step 2 – Open MS Interpreter</strong></h5><p>Within MS Interpreter:</p><ul><li>Paste the proposed structure</li><li>Load the unknown spectrum</li><li>Compare predicted fragmentation with observed ions</li><li>Evaluate isotope patterns and fragment assignments</li></ul><h5><strong>Step 3 – Validate the Proposal</strong></h5><p>Indicators of a good structural proposal include:</p><ul><li>Consistent isotope ratios</li><li>Logical fragmentation pathways</li><li>Agreement between observed and predicted fragment ions</li><li>Multiple Hybrid Search hits supporting the same structural modification</li></ul><p>In the example presented, MS Interpreter showed excellent agreement between the proposed fluorinated structure and the observed EI spectrum, although the exact positions of the fluorine and methyl substituents on the aromatic ring could not be definitively assigned.</p><h4><strong>Best Practices</strong></h4><ul><li>Always review DeltaMass, dForm, and pctRelForm together</li><li>Do not rely solely on the highest match score</li><li>Give greater weight to transformations supported by multiple independent hits</li><li>Use molecular weight information whenever possible</li><li>Confirm structural hypotheses using MS Interpreter</li><li>Consider Hybrid Search as a structure-elucidation tool rather than simply a library search tool</li></ul><h4><strong>Conclusion</strong></h4><p>NIST 26 Hybrid Search significantly extends the capabilities of conventional EI library searching by identifying structural relationships between unknown compounds and library entries. Through the use of DeltaMass calculations, elemental transformation analysis (dForm), and statistical plausibility metrics (pctRelForm), Hybrid Search provides valuable clues for elucidating compounds that are absent from spectral libraries.</p><p>When combined with MS Interpreter, it becomes a powerful workflow for the characterization of unknowns, analogs, degradation products, metabolites, and emerging compounds in EI GC-MS analysis.</p>

Lib Search: Similarity EI Hybrid Search for Spectra Sent from Chromatogram Window

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 22nd June 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you brochure by <strong>Agilent Technologies, </strong>application note<strong> </strong>by<strong> Shimadzu </strong>and posters by <strong>MDCW / William &amp; Mary </strong>and <strong>Waters Corporation / ASMS!</strong></p><h3><strong>1. Agilent Technologies: Operational efficiency for your GC and GC/MS labs with the </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890B"><strong>Agilent 8890B gas chromatography system</strong></a></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/br_8890b_gc_5994_9205en_agilent_fb5db29527.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><h4><strong>Analyze more samples every day with faster cycle times&nbsp;</strong></h4><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890B"><strong>8890B GC </strong></a>provides faster maximum oven temperature ramps and cooldown rates for conventional dual-channel GC. If you want even faster cycle times, an optional rapid cooling fan is available.&nbsp;</p><h4><strong>Achieve excellent repeatability across multiple injections&nbsp;</strong></h4><p>Consistent retention time and area count performance are the cornerstone of what you can expect from the 8890B GC. The system also meets all specifications required for regulatory methods such as USP Method &lt;467&gt; (residual solvents).</p><h4><strong>Shine a new light on your connections and components&nbsp;</strong></h4><p>Make maintenance easier and faster with a built-in oven light that illuminates the internal space on the 8890B GC. That means you can perform tasks like troubleshooting and column installation in less time—and with fewer errors.</p><h4><strong>Boost GC performance with capillary flow technology&nbsp;</strong></h4><ul><li><strong>Backflush</strong> significantly reduces timing between injections, increasing productivity.&nbsp;</li><li><strong>Purged Ultimate unions</strong> provide leak-free connections, reducing downtime.&nbsp;</li><li><strong>Flow splitters</strong> enable data collection from up to three detectors.&nbsp;</li><li><strong>New CFT calculators</strong> let you download calculated setpoints to your method—avoiding time-consuming, error-prone manual input.&nbsp;</li><li><strong>Multidimensional chromatography:&nbsp;</strong><ul><li><strong>Deans Switch</strong> facilitates heart cutting, enabling resolution of trace compound in complex matrices.&nbsp;</li><li><strong>GC x GC flow modulation</strong> enables multidimensional chromatography without the need for cryogen</li></ul></li></ul><h4><strong>Helium conservation module&nbsp;</strong></h4><p>Extend the life of your helium tanks by up to 30 times. The Agilent helium conservation module allows you to use helium for your GC runs and switch to a different gas (typically nitrogen) when your GC is idle. That means you can achieve better control of laboratory operating expenses and avoid workflow disruptions.</p><h4><strong>Alternative carrier gas support&nbsp;</strong></h4><p>Alternative carrier gases like hydrogen and nitrogen are popular low-cost options.&nbsp;</p><p>The <strong>Agilent Hydrogen Sensor Module Series 2 </strong>option adds built-in peace of mind when operating with H2 gas.&nbsp;</p><p>The <strong>Agilent HydroInert source </strong>minimizes sensitivity loss and spectral anomalies associated with H2. It also:&nbsp;</p><ul><li>Maintains spectral fidelity, even for compounds highly susceptible to hydrogenation.&nbsp;</li><li>Improves peak shape for high-boilers, especially polycyclic aromatic hydrocarbons (PAHs)</li></ul><h3><strong>2. MDCW / William &amp; Mary: Decomposition Analysis Using Differing Data Processing Methods to Identify Volatile Organic Compounds</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_25_Weina_2ae94f0998.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>When a body decomposes it emits volatile organic compounds (VOCs). VOCs from decomposing remains have been studied before,1 however there is a gap that remains in the knowledge on VOCs that evolve from submerged decomposing remains. 2 In this study, submerged animal tissue was tested to see how the VOCs can be utilized in forensic settings.&nbsp;</p><p>This study used data obtained last summer using comprehensive two-dimensional gas chromatography – time-of-flight mass spectrometry (GC×GC-TOFMS). Pigs (Sus scrofa domesticus) are often used as analogs in decomposition studies due to similarities with humans. 3 In this study, pork belly samples were submerged in mason jars filled with water and stored at different temperatures. The GC×GC-TOFMS instrument was used to collect odor from above water samples for a period of twelve days.</p><p>GC×GC is often used to analyze complex odor profiles. When analyzing samples with GC×GC, there is a lack of standardization to process the data acquired from time trials. There is a need to discover effective ways to track VOCs for chemical identification and longitudinal analysis.</p><p>The goal of this research was to compare different software approaches to analyze GC×GC longitudinal data to achieve accurate analyte identification, representation of data over time, and effective class characterization.</p><h4><strong>Methods</strong></h4><p>For the first four days, 5 mL of water was taken and run on the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/37"><strong>GC×GC-TOFMS</strong></a>. Thereafter, the samples were sampled and run every three days until day twelve. Data were analyzed initially using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41"><strong>ChromaTOF</strong></a> (LECO Corporation). The samples were then analyzed using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/348"><strong>ChromaTOF Tile </strong></a>and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1873"><strong>ChromaTOF Sync 2D</strong></a> to compare how they can be used in a forensic setting.</p><p>Peak tables were curated in Tile and Sync 2D. Then, ChromaTOF was used as a guide to confirm which peaks were identified correctly. If the compound was correctly identified, the peak would be accepted or kept on the table. If not correctly identified, the peak would either be rejected or deleted. Once the tables were complete from the different software approaches, they were exported to Excel for further comparison.</p><p>In excel, the relevant hits that were identified as decomposition VOCs were compared across the software approaches. The compounds that were most commonly found were compared to existing literature on decomposition VOCs. From there, two tables were built; where one table was compounds confirmed with literature and the other table was compounds not confirmed with literature.</p><p>Comparison between software approaches included looking at different criteria to see which method was the most effective and efficient. The criteria included how long the software approach took, the number of compounds found in each software approach, the accuracy of peak area in the software approach compared to ChromaTOF data, and principal component analysis (PCA) comparison to see which software approach was best used for forensic practice or research.</p><h4><strong>Conclusions</strong></h4><p>Sync 2D showed the capability of showing trends in decomposition compounds</p><ul><li>This software approach can be used in research environment where longitudinal data is needed to determine the trends of decomposition data&nbsp;</li><li>Best purpose: research applications requiring longitudinal tracking&nbsp;</li></ul><p>Coefficient of Variance’s and Fold Change’s PCA plots showed their ability for clear class differentiation&nbsp;</p><ul><li>The two software approaches can be used to distinguish water containing decomposition in a crime scene&nbsp;</li><li>Best purpose: comparison at a single point and time [detailed analysis]&nbsp;</li></ul><p>Fisher Ratio showed a proficiency in identifying top differentiating compounds and showed aptitude for class differentiation&nbsp;</p><ul><li>The software approach would be helpful for cursory analysis for crime scene evidence&nbsp;</li><li>Best purpose: quick comparison of biggest difference for swift identification</li></ul><h3><strong>3. Shimadzu: Determination of Ester and Linolenic Acid Methyl Ester Contents in Biodiesel According to EN 14103:2020</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_05_sca_180_054_en_93d1029b72.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=2060"><strong>NexisTM GC-2060</strong></a> provides reliable analysis of biodiesel samples regarding their ester and linolenic acid methyl ester contents using hydrogen as a cost-effective carrier gas&nbsp;</li><li>It delivers excellent repeatability and provides appropriate safety measures for the use of hydrogen as carrier gas&nbsp;</li><li>The optional multi-mode injection unit (MMI) offers performance equivalent to a conventional split-splitlessinjection unit (SPL), significantly reducing maintenance downtime</li></ul><p>Biofuels play an important role in enabling countriesto meet their greenhouse gas reduction targets. They can be produced from a range of raw materials, including plant oils, animal fats, and used cooking oils. Biodiesel is mainly being produced from rapeseed, soybean, and palm oils. Due to this diversity of feedstocks, continuous quality control is necessary as the quality of the raw material has an enormousimpact on the quality of the biodiesel.&nbsp;</p><p>The EN 14103:2020 describes the determination of total ester content and linolenic acid methyl ester content in biodiesel by means of gas chromatography with flame ionization detection (GC-FID). The total ester content covers a range of fatty acid methyl esters (FAME) from C6 to C24, and linolenic acid methyl ester is investigated separately as interfering reactive compound that might influence long-term stability of the biodiesel. According to the standard, the total ester content must be greater than 90 % (m/m) and the linolenic acid methyl ester content shall be between 1 and 15 % (m/m)1.</p><p>This study shows the analysis of biodiesel originating from rapeseed,soybean, and palm oil using the Nexis GC-2060.</p><h4><strong>Multi-Mode Injection Unit as Alternative&nbsp;</strong></h4><p>Shimadzu’s multi-mode injection unit (MMI) offers reliable splitsplitless mode functionality over a broad range of carbon numbers. It allows analysis of biodiesel samples with high repeatability and provides chromatographic results comparable to those measured with SPL as dedicated split-splitless injection unit. The use of MMI significantly shortens maintenance downtime from tens of minutes for a classical split-splitless injection unit to just a few minutes. Figure 3 gives a direct comparison of an exemplary rapeseed-based biodiesel sample measured with SPL (top) and MMI (bottom).</p><h4><strong>Conclusion</strong></h4><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=2060"><strong>Nexis GC-2060</strong></a> provides reliable analysis of biodiesel samples regarding their ester and linolenic acid methyl ester content according to EN 14103:2020, covering the various ester types commonly in use. It allows repeatable analysis using hydrogen as a cost-effective carrier gas. The optional multi-mode injection unit (MMI) can be selected as alternative to a classical splitsplitlessinjection unit (SPL).</p><h3><strong>4. Waters Corporation / ASMS: Putting the (Atmospheric) Pressure on Forever Chemicals: A Targeted Analysis of GC Amenable PFAS using APGC–MS/MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009413_dfa4082b45.pdf"><strong>Full PDF for download</strong></a></li></ul><p>This poster presents a targeted analytical method for the determination of gas chromatography (GC)-amenable PFAS compounds using atmospheric pressure gas chromatography coupled with tandem mass spectrometry (APGC-MS/MS). The study addresses a key limitation of conventional LC-MS/MS methods, which are highly effective for many PFAS but less suitable for more volatile species such as fluorotelomer alcohols (FTOHs), fluorotelomer acrylates (FTAcr), and fluorotelomer acetates (FTOAc). By incorporating GC-MS/MS analysis, laboratories can obtain a more complete characterization of PFAS contamination across environmental, biological, and food-contact materials.</p><p>The analytical workflow utilized an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890 gas chromatograph</strong></a> equipped with an autosampler and coupled to a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/554"><strong>Waters Xevo TQ Absolute tandem mass spectrometer</strong></a> operated with APGC ionization in positive-ion mode. Separation was performed on an Rtx-200 capillary column, while data acquisition and quantification were managed using <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1544"><strong>waters_connect software</strong></a>. Unlike traditional electron ionization (EI), APGC generated intact protonated molecular ions, significantly improving sensitivity and selectivity for GC-amenable PFAS. A method covering 35 PFAS compounds was developed, achieving lower limits of quantification (LLOQs) of 0.025–0.1 ng/mL for most analytes.</p><p>Several sample types were evaluated, including wastewater, surface water, soil, fish tissue, shrimp, and food-packaging materials. Environmental and biological samples were prepared according to EPA Method 1633A and had previously been analyzed by LC-MS/MS, allowing the GC-MS/MS method to serve as a complementary technique. Food-packaging samples were extracted with methanol containing ammonium hydroxide and analyzed for targeted PFAS. While no target PFAS were detected in the tested packaging materials, multiple GC-amenable PFAS were found in environmental samples. Fluorotelomer alcohols were the most frequently detected compounds, with wastewater and ski-wax-impacted soils showing the highest concentrations.</p><p>The results demonstrate that APGC-MS/MS provides a sensitive and robust solution for the analysis of volatile PFAS classes that may be missed by LC-MS/MS alone. The method delivered accurate quantification, effective chromatographic separation, and reliable recovery in spiked samples. The authors conclude that combining APGC-MS/MS with established LC-MS/MS workflows enables a more comprehensive assessment of PFAS contamination, particularly for emerging fluorotelomer compounds and other GC-amenable PFAS that are increasingly relevant in environmental monitoring and food-packaging investigations.</p></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 26, 2026

Article

Product

Application

Academy

Video

Software

Poster

Since 1991 DataApex develops and manufactures chromatography data stations. DataApex is constantly striving to provide users with efficient and up-to-date tools for chromatography data processing.

DataApex

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

My main interest is the identification of organic compounds by mass spectrometry in organic mixtures.

James Little/Mass Spec Interpretation Services

New Food magazine

Separation Science

Agilent Technologies

Thermo Fisher Scientific

SciY/Mestrelab Research

Waters Corporation

<p><strong>Impure gases pose a significant threat to your lab's efficiency and data integrity, leading to frustrating installation delays, costly premature instrument failure, and ultimately, flawed results. Even when you invest in high-quality gases, unexpected leaks can compromise your system.</strong></p><p>Join us for this informative webinar where we'll reveal the critical role of gas purification in optimizing your system performance. We'll explore various purification options and equip you with the knowledge to identify gas contamination in your chromatography, acting as a vital form of insurance for your lab. Don't let impure gases undermine your work—learn how to safeguard your instruments and ensure reliable data.</p><blockquote><p><strong>Presenter:</strong> Dr. Rajni Mujoo (Technical Support Specialist - CSD, Agilent Technologies India Pvt. Ltd.)</p><p>Dr. Rajni has been working with Agilent Technologies as a Technical Support Specialist in the Chemistries and Supplies Division since 2011. She holds a Ph.D. in Food Science from CFTRI, Mysore, and completed her Postdoctoral studies in the Department of Food Science at Michigan State University.</p><p>Dr. Rajni has an impressive academic record, including four international presentations and 13 publications in renowned national and international journals. With a total of 16 years of experience spanning research and sales, she has developed expertise in various instrumental techniques.</p></blockquote>

Agilent Technologies: Prevent, Protect, Purify: The Benefits of Gas Filtration

Prevent, Protect, Purify: The Benefits of Gas Filtration

Join us for this informative webinar where we'll reveal the critical role of gas purification in optimizing your system performance

<p><strong>Join us for an insightful webinar on the advantages and best practices of using Hydrogen as a carrier gas with Gas Chromatography – Mass Spectrometry (GC/MS) instruments. This session will discuss several topics of critical importance when converting from Helium to Hydrogen carrier.</strong></p><p><strong>Key Topics include:</strong></p><ul><li>Safety considerations when using Hydrogen</li><li>Selecting the appropriate ion source</li><li>Choosing the right column for Hydrogen carrier gas</li><li>Understanding the effects of Hydrogen on analytical outcomes</li></ul><p>Whether you are new to GC/MS or looking to enhance your current setup, this webinar will equip you with the knowledge and tools to make informed decisions and improve your analytical results.</p><blockquote><p><strong>Presenter:</strong> Alex Graettinger (GC/MS Data Acquisition Product Support<br>Agilent)</p></blockquote>

Agilent Technologies: Becoming a Better Chromatographer - Educational Webinar Series

What to Consider for Success when Transitioning to Hydrogen Carrier Gas with GC/MS Instruments

Join us for an insightful webinar on the advantages and best practices of using Hydrogen as a carrier gas with GC/MS instruments. 

Transitioning to Hydrogen Carrier Gas with GC/MS

<p><strong>As you heat up your column, there is going to be some degree of bleeding. But sometimes we can have excessive or abnormal bleeding. There are also many misconceptions about column bleed and how it appears in your chromatogram. Join us as we distinguish between abnormal and normal bleed as well share some tips and tricks to control your bleed.</strong></p><blockquote><p><strong>Presenter:</strong> Alex Ucci (Application Engineer, Agilent Technologies, Inc.)</p><p>In his current position at Agilent, Alex provides application assistance and technical support for sample preparation products as well as GC and LC consumables. Before he joined Agilent in 2014, Alex was a graduate student at the Pennsylvania State University researching the morphology and surface properties of aerosol particles using a wide variety of analytical techniques. He has an MS degree in chemistry.</p></blockquote>

Comprehensive Guide to GC Column Bleed: From Troubleshooting to Prevention

Join us as we distinguish between abnormal and normal bleed as well share some tips and tricks to control your bleed.

Comprehensive Guide to GC Column Bleed

<p><strong>Sample introduction is arguably one of the most important aspects in successful gas chromatography. The vast majority of problems that arise in GC are inlet or "front-end" related. If your sample is not introduced properly to the inlet and column, all bets are off for producing a useful high-resolution chromatogram. In this presentation we will discuss the various types of GC inlets available including when and how to use them.</strong></p><blockquote><p><strong>Presenter:</strong> Mark Sinnott (Application Engineer, Agilent Technologies, Inc.)</p><p>Mark Sinnott works for Agilent Technologies as a Technical Support Engineer in the Consumables and Supplies Division (CSD). In his position at Agilent, Mark performs technical support and applications assistance to gas chromatographers worldwide. He has more than 22 years of experience in gas chromatography, including environmental analysis of compounds in air, soil and water matrices, including dissolved gas analysis for the electrical industry. Mark holds a Master’s Degree in Chemistry from California State University, Sacramento, and currently resides in Twin Falls Idaho.</p></blockquote>

Choosing the Right GC Inlet: Tailoring Your Method for Optimal Results

In this presentation we will discuss the various types of GC inlets available including when and how to use them

Choosing the Right GC Inlet

<p><strong>In today’s fast-paced food production environment, manufacturers need more than just data - they need the ability to act on it instantly. This webinar will explore how Process NIR technology can drive smarter, faster decisions on the production line by enabling real-time process control and automation.</strong></p><p>As food processors face mounting pressure to reduce waste, maintain consistency, and respond to supply chain variability, the shift toward smarter, data-integrated operations is accelerating. Inline technologies like Process NIR are no longer limited to quality monitoring—they’re becoming central to automation strategies and Industry 4.0 transformation. This session will provide context for that shift and show how producers can move from data collection to actionable control.</p><p>The webinar will address key challenges such as inconsistent product quality, high raw material losses, and the gap between data visibility and real-time action. Many producers collect production data, but lack the systems or integration needed to turn it into automated process improvements.</p><p>Attendees will gain insights into how Process NIR fits into automation workflows, supports closed-loop control, and contributes to profitability. The session will cover trends like Industry 4.0, smart manufacturing, and digital transformation in food processing, with actionable strategies for implementation.</p><p>The speakers will share a real-world example of how one processor improved efficiency and process stability using inline NIR technology in a high-throughput production environment. This example highlights how real-time data was used to make automatic adjustments, leading to tangible results.</p><p>The speakers will provide practical tips for integrating Process NIR into existing systems, discuss common automation pitfalls, and answer live audience questions. They’ll also highlight how to evaluate readiness for automation and identify where real-time process control can deliver the most value.</p><p><strong>Key learning points:</strong></p><ul><li>Discover how real-time process data can drive automation and reduce manual intervention in food production</li><li>Understand the role of Process NIR in supporting smarter, more consistent process control</li><li>Learn how leading processors are integrating NIR into their automation strategies for measurable gains</li><li>Explore the connection between Process NIR and Industry 4.0 trends in food manufacturing</li><li>Hear a real-world example of improved efficiency and control using inline NIR in high-throughput conditions</li><li>Ask our expert speakers your questions and gain practical advice for starting or scaling your automation journey</li></ul><blockquote><p><strong>Presenter:</strong> Egbert Stärk (Principal Sales Specialist EMEAI, Perten)</p><p><strong>Presenter:</strong> Christian Müller (Principal Product Specialist, Perten)&nbsp;</p></blockquote>

New Food Magazine: From insight to automation: taking control with Process NIR

From insight to automation: taking control with Process NIR

Join webinar to explore how Process NIR technology enables real-time process control and automation

<p><strong>Food scientists face growing challenges in characterizing complex food matrices with conventional analytical methods, which often fall short in sensitivity, robustness, and dynamic range. In this webinar, Dr Natasha Spadafora demonstrates a flexible platform that overcomes these limitations using a cryogen-free focusing trap. She will share two case studies: using high-capacity sorptive extraction with automated re-collection to reveal honey authenticity markers across a wide dynamic range; and enhancing SPME analysis with enrichment to uncover the nutritional potential of Mediterranean macroalgae. These examples will showcase how a flexible sampling toolkit (via the Centri platform) and advanced chemometric analysis (via ChromCompare+ analytical software) can provide highly informative data, as well as higher throughput and more insight into results.</strong></p><h5><strong>By attending this presentation, you will:</strong></h5><ul><li>Centri’s flexible sampling tools (multi-step enrichment, high-capacity sorptive extraction, automated re-collection) help discover more from food matrices.</li><li>Centri’s automated workflows reduce hands-on time, increase throughput, and improve reproducibility.</li><li>Intelligent data analysis tools can automatically identify key features that differentiate complex samples.&nbsp;</li><li>These features are applied in practice with case studies on honey fraud detection and algae nutrient profiling.</li></ul><blockquote><p><strong>Presenter: </strong>Natasha D. Spadafora &nbsp;(Assistant Professor, University of Ferrara, Italy)</p><p>Natasha D. Spadafora focuses her research on food science at the University of Ferrara. Her main interest is to develop end-to-end solutions in food quality, flavour, and fragrance (FFF) at a multidisciplinary level, including metabolomics, transcriptomics, and sensorial perception. &nbsp;Her research across academia and industry leverages advanced analytical techniques like GC (GCxGC)-MS and chemometrics to address real-world challenges in food authenticity and waste reduction. She specializes in translating complex data into actionable insights for the food supply chain.</p><p><strong>Presenter:&nbsp;</strong>Rebecca Cole (Application Specialist, Markes International, Wales)</p><p>Rebecca Cole received a BSc in genetics from the University of Cardiff, UK, and subsequently did a PhD at the University of Bristol, where she wrote her thesis on the population genetics of parasitic nematodes. She is now an application specialist at Markes, providing technical and application support to users around the world and developing applications using extraction and enrichment techniques for GC–MS.</p></blockquote>

Separation Science: Expanding the Sample Extraction Toolkit for Food Analysis by GC-MS

Expanding the Sample Extraction Toolkit for Food Analysis by GC-MS

Discover a versatile platform for overcoming challenges in food analysis beyond conventional limits. 

Extraction Toolkit for Food Analysis by GC-MS

<p><strong>It is critical to keep your lab current and one of the ways to achieve this is by leveraging new features and functionality. In this session, we will explore new and upcoming Empower Software features, including:</strong></p><ul><li>Updated functionality to simplify workflows requiring more stringent technical controls</li><li>New features to support expanded workflows</li><li>New data processing features and options</li></ul><p>Please join us for a lively discussion as we explore this topic. &nbsp;As always, please bring your questions for this exclusive opportunity to ask our experts anything about using Empower Software.</p><blockquote><p><strong>Presenter: </strong>Neil Lander (Principal Product Manager, Informatics, Waters Corporation)</p><p>Neil has worked for Waters Corporation since 1994 and has held a variety of positions including Technical Support Specialist, Technical Trainer, Manager Customer Education and currently, Principal Marketing Manager focusing on Informatics solutions. He provides internal support for Empower Chromatography Data System and is focused on developing laboratory software solutions that help organizations achieve their scientific and operational objectives. Prior to joining Waters, he was an analytical chemist where he gained experience in both the cosmetics and specialty chemical industries.</p><p><strong>Presenter: </strong>Dr. Andy Meyer (Senior Application Scientist, Wyatt Technology)</p><p>Dr. Andy Meyer joined Wyatt Technology in 2001, serving for several years as an Applications Scientist, then as Dean of Wyatt's "Light Scattering University" and as Director of Customer Service &amp; Support. After managing multiple regions in North America, Dr. Meyer is now a Senior Application Scientist for Wyatt. As a Wyatt customer, he completed his Ph.D. in Applied Science – Polymer Chemistry from the College of William and Mary in Virginia.</p></blockquote>

Waters Corporation: Empower Tips: Ask Me Anything About What's New in Empower Software

Empower Tips: Ask Me Anything About What's New in Empower Software

In this session, we will explore new and upcoming Empower Software features

Empower Tips What's New in Empower Software

<div><div container-id="cq-colctrl-lt0" comp-id="A1"><div><p><strong>Join this free best practices webinar under the motto "Successful with Chromeleon Software!". This webinar is specifically designed for users who want to further develop and optimize their skills in handling the Thermo Scientific Chromeleon chromatography data system. Goal of this session is to provide you with practical insights and valuable tips so that you can fully exploit the potential of the Chromeleon CDS.</strong></p><h5><strong>Topics:</strong></h5><p><strong>1. The new way of eWorkflows</strong>: Discover the latest developments in the field of eWorkflows. We will show you how to optimize and automate your workflows with the latest features of Chromeleon CDS. Learn how to save time, increase accuracy of your analysis, and maximize efficiency of your laboratory processes through the use of eWorkflows.</p><p><strong>2. Easy peak integration:</strong> Peak integration is a central task in data analysis with Chromeleon CDS. In this section of the webinar, you will learn how to integrate peaks quickly and accurately. We will introduce proven methods and techniques that will help you simplify and improve your data analysis processes. Discover how to achieve consistent and reliable results with the integrated tools in Chromeleon software.</p><h5><strong>Reasons to attend:</strong></h5><ul><li>Receive practical tips and tricks from our Chromeleon experts</li><li>Learn about the latest features and updates of Chromeleon CDS</li><li>Improve your efficiency and accuracy in using Chromeleon software</li><li>Take the opportunity to ask questions</li></ul><h5><strong>Who should attend:</strong></h5><p>This webinar is aimed to all Chromeleon users who want to deepen their knowledge and optimize their workflows. Whether you are a beginner or experienced user - this webinar offers valuable information for everyone.</p><p><i>Can´t attend on July 31? Please register anyway to automatically receive the link to the webinar recording.</i></p><blockquote><p><strong>Presenter: </strong>Michele Musu (Technical Sales Specialist for Chromatography and Mass Spectrometry Software, Thermo Fisher Scientific)</p><p><strong>Presenter: </strong>Zoe Julian (Product Marketing Manager, Thermo Fisher Scientific)</p><p>Zoe Julian is a product marketing manager for chromatography and mass spectrometry software at Thermo Fisher Scientific.</p><p>With over 12 years' experience of working with chromatography and mass spectrometry techniques with a background in GC and GC-MS(/MS) organic environmental analysis, she has helped many laboratories and industries improve their workflows through a unique understanding of their challenges. Transitioning to a focus on Chromeleon CDS she has shown customers how software solutions can improve their productivity and support their day-to-day operations.</p></blockquote></div></div></div>

Thermo Fisher Scientific: eWorkflows and peak integration in Chromeleon CDS software

eWorkflows and peak integration in Chromeleon CDS software

Webinar is designed for users who want to further develop and optimize their skills in handling the Thermo Scientific Chromeleon chromatography data system

<div><div container-id="cq-colctrl-lt0" comp-id="A1"><div><h4><strong>Accelerate Method Sharing with Structured Digital Approaches</strong></h4><p><strong>Transferring chromatography methods between labs, instruments, or external partners remains a persistent challenge. Manual retyping from PDFs or spreadsheets and repeated validations slow down workflows and introduce risk. This is especially problematic when collaborating across different vendors, sites, or with CROs and CDMOs.</strong></p><p>In this webinar, we explore the root causes of method transfer bottlenecks, and more importantly, how to overcome them. You’ll see a peer-reviewed, real-world case study of successful two-way method exchange between two major pharmaceutical companies using different chromatography platforms. Discover how structured digital methods can make sharing, storing, and reusing chromatography protocols more efficient and reliable.</p><h5><strong>By attending this discussion, you will learn:</strong></h5><ul><li>Why method transfer is still a bottleneck in many labs</li><li>How digital methods improve traceability, speed, and consistency</li><li>How to collaborate more smoothly with external partners</li><li>What a modern, structured approach to method management looks like</li></ul><h5><strong>Who should attend?</strong></h5><ul><li>Chromatographers, lab managers, and scientists working in analytical, QA/QC, or outsourced environments</li><li>Tech transfer leaders and IT professionals supporting cross-platform integration</li></ul><blockquote><p><strong>Presenter: </strong>Kelsey Boyle (Director, Product Management, ZONTAL)</p><p>Kelsey Boyle, MSc, is a chemist with a focus on chromatography and innovative product development. She is Director of Product Management at ZONTAL, where she helps clients with three key functions: data integration, data collection and storage, and data reuse. Kelsey has launched a SaaS product for the CMC (Chemistry, Manufacturing, and Controls) regulatory space and began her career in product management with reference standards for the pharmaceutical industry.</p></blockquote></div></div></div>

SciY: Smart Chromatography Methods for Faster Tech Transfer: A Cross-Platform Case Study

Smart Chromatography Methods for Faster Tech Transfer: A Cross-Platform Case Study

In this session, we’ll take a closer look at why method transfer is such a challenge today — and more importantly, how to fix it.

Smart Chromatography for Faster Tech Transfer

<div><div container-id="cq-colctrl-lt0" comp-id="A1"><div><p><span><strong>Following the feedback from previous sessions, this best practices session will be dedicated to reporting in the Thermo Scientific™ Chromeleon™ 7.3.2 Chromatography Data System (CDS).</strong></span></p><p><span>Learn how to create comprehensive Chromeleon reports by following a step-by-step process to generate detailed and informative reports within Chromeleon CDS. Discover how to master formulas to streamline your data analysis tasks, simplifying and accelerating your work. Understand how to create and utilize custom variables to tailor your reports to specific needs.</span></p><h5><strong>Topics covered:</strong></h5><ul><li>Understanding the default templates</li><li>Reporting basics</li><li>Repeating function</li><li>Further calculations</li><li>Custom variables</li><li>Averaging of duplicates</li></ul><h5><strong>Attendance</strong></h5><p>This webinar is open to anyone interested in Chromeleon CDS, including current users and those looking to learn more about the software.</p><p>Cannot attend the live broadcast on September 25? Please register anyway to automatically receive the link to the recording.</p><blockquote><p><strong>Presenter: </strong>Sebastiean Lopez (Lab Application Specialist | LC &amp; LCMS | Pharma &amp; Biopharma, Thermo Fisher Scientific)</p><p>Seb has been an HPLC and Mass Spectrometry Specialist at Thermo Fisher Scientific for 5 years and has over 15 years of analytical chemistry experience. He is passionate about enabling customer to achieve their analytical goals especially using technology from Thermo Fisher.</p></blockquote></div></div></div>

Thermo Fisher Scientific: Reporting in Chromeleon Software

Reporting in Chromeleon Software

Join Thermo Fisher’s webinar on Chromeleon 7.3.2 CDS reporting. Master templates, formulas, and custom variables to create efficient, tailored reports.

GCMS webinars focusing on Tips & Tricks - page 3