<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

LECO Paradigm Flow Modulator and Shift Flow Splitter

Paradigm RFF Flow Modulator with Shift Flow Splitter boosts GC×GC peak capacity while maintaining constant MS/FID split ratios, enabling accurate, repeatable quantitation across full volatility ranges.

<p><strong>The Paradigm Flow Modulator with Reverse Fill-Flush (RFF) technology dramatically expands chromatographic peak capacity across the full volatility range while preserving quantitative accuracy. The RFF modulator fills a fixed-volume sample loop with effluent from the first-dimension column and then rapidly flushes it onto an orthogonal second-dimension stationary phase. This true comprehensive GC×GC transfer ensures excellent repeatability, robust quantitation, and high-quality separations for complex samples.</strong></p><h3><strong>Key features</strong></h3><ul><li><strong>Reverse Fill-Flush (RFF) modulation</strong> for true comprehensive GC×GC with complete analyte transfer</li><li><strong>Novel chromatography splitter</strong> with two channels of pressure assistance</li><li><strong>Designed for high flows</strong> required for RFF modulation (≈20 mL/min)</li><li><strong>Constant MS/FID split ratio</strong> maintained throughout the entire run, including oven temperature ramps</li></ul><h3><strong>ChromaTOF makes modulation simple</strong></h3><p>Paradigm eliminates complex offline flow calculations. Integrated <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41"><strong>ChromaTOF® software</strong></a> automatically performs all required calculations via a straightforward interface. The resulting methods are optimized to deliver complete analyte transfer, excellent peak shapes, and high chromatographic resolution—without manual trial-and-error.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_Chromatof_flow_calculation_6b8ca60f99.jpg" alt="LECO Paradigm Flow Modulator and Shift Flow Splitter: ChromaTOF Software identifies method calculation improvements for RFF modulation" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_Chromatof_flow_calculation_6b8ca60f99.jpg 245w," sizes="100vw" width="670" height="426"></p><h3><strong>A shift forward in chromatographic analyses</strong></h3><p>The <strong>Shift Flow Splitter</strong> introduces a novel splitting mechanism that maintains a constant split ratio between MS and FID across the full GC oven program. Compared to traditional splitters, Shift delivers superior quantitative accuracy with minimal internal standardization, greatly simplifying compound-level and group-type quantitation in GC and GC×GC workflows.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_LECO_Paradigm_G_Cx_GC_prutokovy_modulator_a_Shift_splitter_5_245c7c2fde.jpg" alt="LECO Paradigm Flow Modulator and Shift Flow Splitter:   Close-up on the Shift Flow Splitter installed in a GC oven" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_LECO_Paradigm_G_Cx_GC_prutokovy_modulator_a_Shift_splitter_5_245c7c2fde.jpg 245w," sizes="100vw" width="2925" height="825"></p><h3><strong>Software-optimized detector performance</strong></h3><p>ChromaTOF automatically balances and optimizes the flow directed to TOFMS and FID, ensuring proper peak shapes and matched sensitivity for reliable qualitative and quantitative results.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_Optimize_flow_e51d505415.jpg" alt="LECO Paradigm Flow Modulator and Shift Flow Splitter:   ChromaTOF Software automatically optimizes flow rates" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_LECO_Optimize_flow_e51d505415.jpg 207w," sizes="100vw" width="808" height="608"></p>

LECO QuadJet™ SD

GC×GC-FID system combining thermal modulation and ChromaTOF software to reduce coelution bias, boost resolution, and deliver accurate quantitation of complex samples—without sacrificing productivity.

<p><strong>The QuadJet SD is a comprehensive GC×GC-FID solution designed to reveal the true chemical composition of complex real-world samples. By combining the universal sensitivity of flame ionization detection (FID) with the dramatically increased chromatographic resolution of comprehensive two-dimensional gas chromatography (GC×GC), QuadJet SD minimizes coelution-driven bias and delivers a far more accurate representation of sample composition than conventional one-dimensional GC.</strong></p><p>Unlike straight GC-FID, where unresolved peaks inflate detector response and introduce systematic error, GC×GC separates compounds using two orthogonal mechanisms within a single run. True GC×GC instruments—such as the QuadJet SD from <span>LECO</span>—use active modulation to quantitatively slice the effluent from the first column and refocus it onto the second column. This approach preserves quantitative integrity while unlocking orders-of-magnitude gains in peak capacity and signal-to-noise ratio.</p><h3><strong>Key Benefits</strong></h3><ul><li><strong>Enhanced separation power</strong> for highly complex mixtures</li><li><strong>Reduced noise and bias error</strong> compared to conventional GC-FID</li><li><strong>Integrated </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41"><strong>ChromaTOF-based software</strong></a> for acquisition, processing, classification, and reporting in one environment</li><li><strong>Classification tools</strong> that simplify component identification</li><li><strong>Cryogen-free modulation option</strong> eliminates the need for liquid nitrogen dewars</li></ul><h3><strong>Theory of Operation</strong></h3><p>In GC-FID analysis, compound quantitation relies on peak area. As sample complexity increases—diesel fuels being a classic example with thousands of constituents—the likelihood of coelution rises sharply. Coeluting compounds produce artificially elevated FID responses, leading to high-bias errors.</p><p>GC×GC overcomes this limitation by performing two independent chromatographic separations in a single experiment. Thanks to the orthogonal selectivity of the two columns, compounds that coelute in the first dimension are efficiently separated in the second. In the QuadJet SD, eluting peaks from the primary column are quantitatively segmented by the modulator and cryo-focused before entering the secondary column, generating extremely narrow second-dimension peaks—often as short as <strong>50 ms</strong>—while maintaining accurate quantitation.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/LECO_Quad_Jet_SD_2_bbb51b2254/LECO-QuadJettm-SD-2_l.webp" alt="LECO: QuadJet™ SD 2 – Processing of acquired GC×GC data using LECO ChromaTOF software" width="923" height="543"></p><h3><strong>Thermal Modulation</strong></h3><p>Thermal modulation represents the highest-performance approach for GC×GC, and LECO’s implementation sets the benchmark for ruggedness, reliability, and analytical performance. The QuadJet SD employs a <strong>dual-stage, quad-jet thermal modulator</strong> positioned between the two columns. This design enables on-column cryo-focusing, dramatically improving peak detectability and resolving power, and delivering an <strong>order-of-magnitude improvement in signal-to-noise</strong>.</p><p>For laboratories seeking lower operating costs and simplified workflows, a <strong>consumable-free thermal modulator</strong> (no liquid nitrogen) is available. This option maintains excellent performance for moderately volatile compounds while eliminating cryogen handling.</p><h3><strong>Modulators and Instrument Options</strong></h3><ul><li><strong>Thermal modulator choices</strong>:<ul><li>Liquid-nitrogen-cooled thermal modulator</li><li>Consumable-free thermal modulator</li></ul></li><li><strong>Optional inlets</strong>: S/SL, PTV, and MMI</li></ul><p>Designed with productivity in mind, the QuadJet SD combines ease of use with an industry-leading secondary oven for the second-dimension column. For laboratories ready to move beyond conventional GC and truly see what has been hidden by coelution, QuadJet SD delivers the next dimension in analytical insight.</p>

LECO GCxGC FLUX flow modulator

Flux GC×GC flow modulator simplifies GC×GC analysis using diverting flow principles. It offers robust, cost-effective modulation without cryogens, ideal for complex, concentrated samples.

<p><strong>Our innovative Flux GC×GC flow modulator was designed with one goal in mind—to make GC×GC more routine, accessible, and easier for you. The flow modulator's concept is based on the sound and easily understood principles first articulated by Seeley et al. on diverting flow. This extraordinarily simple design comprising of a cross shape and sideways T, is not only easy to setup and get started, but its ease-of-use makes it the most cost-effective option for GC×GC analysis.</strong></p><p>This flow-based modulator is perfect for those who want to perform robust GC×GC analysis, but who don't need the sensitivity of standard quad jet thermal modulation. Ideal samples should be complex, but relatively concentrated. Appropriate applications include petroleum and fragrance analyses such as the classic weathered crude oil example pictured below, which shows a GC×GC plot generated on our Pegasus® BT platform using the Flux flow modulator.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ee943ea0acb34a8d9c5b72e7ace10666/obrazek_l.webp" alt="LECO GCxGC FLUX flow modulator" width="957" height="523"></p><h4><strong>Theory of Operation: Diverting Flow</strong></h4><p>The first and secondary capillary columns are connected together through a simple tube with a fixed gap between the columns. A flow of gas (helium) is then used to inject into the second column or divert to waste. The precision timing and flows are all handled by our integrated software, therefore you just have to click one button to setup and begin performing flow modulation GC×GC on our Pegasus BT platform.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/508b477dd1604d15855f26d786d5b1e4/obrazek_l.webp" alt="LECO GCxGC FLUX flow modulator" width="1026" height="488"></p><p>Furthermore, no complex spreadsheets are needed to understand your method. This simple and robust design does not require cryogens to carry out GC×GC, which saves time and boosts efficiency in your lab.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/6796d4581c894291b9fab0088753cb8b/obrazek_l.webp" alt="LECO GCxGC FLUX flow modulator" width="918" height="545"></p>

LECO QUADJET Thermal Modulator

Consumable-free dual-stage thermal jet modulator for GC×GC delivering on-column cryo-focusing, higher peak detectability, superior separation, and reliable performance without liquid nitrogen.

<p><strong>The QUADJET Thermal Modulator from </strong><span><strong>LECO</strong></span><strong> delivers industry-leading performance for comprehensive two-dimensional gas chromatography (GC×GC). Compared to alternative thermal or valve-based modulators, QUADJET stands out for its exceptional ruggedness, long-term reliability, and superior modulation efficiency.</strong></p><p>This GC×GC modulation system uses a <strong>dual-stage thermal jet modulator</strong> positioned between the first- and second-dimension columns. The design enables true <strong>on-column cryo-focusing</strong>, significantly enhancing peak sharpness, detectability, and separation power—especially for co-eluting compounds in complex sample matrices.</p><h3><strong>Key benefits</strong></h3><ul><li><strong>Highest modulation performance for GC×GC</strong><br>Enhances peak detectability and improves separation of co-eluting compounds.</li><li><strong>Dual-stage thermal jet design</strong><br>Provides efficient trapping and re-injection between columns.</li><li><strong>On-column cryo-focusing</strong><br>Improves sensitivity and separation of closely eluting analytes.</li><li><strong>Exceptional robustness and reliability</strong><br>Designed for routine, long-term GC×GC operation.</li></ul><h3><strong>Thermal modulation without liquid nitrogen</strong></h3><p>Unlike traditional cryogenic modulators, the <strong>QUADJET thermal modulator is consumable-free</strong>. It delivers the full performance benefits of thermal modulation <strong>without the need for liquid nitrogen</strong>, eliminating cryogen costs, logistical complexity, and downtime—while maintaining consistent, high-quality results.</p><p>The QUADJET Thermal Modulator is an ideal choice for laboratories seeking <strong>maximum GC×GC performance with minimal operational burden</strong>, particularly in demanding applications involving highly complex samples.</p>

Products from category Advanced technologies distributed by LECO Instrumente Plzeň - page 1

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