<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

Agilent Technologies

Bruker

Phenomenex

Waters Corporation

<p><strong>In GC, liquid sample injection may seem simple on the surface; however, it can be a complex process that depends on numerous factors. Choosing the proper syringe and wash solvent, selecting the right autosampler parameters, and knowing how to identify a problem can all ensure the generation of high-quality, consistent data.</strong></p>
<p>This webinar will cover GC syringe anatomy, wash solvent selection, and syringe damage prevention, as well as how these factors relate to problems in chromatography and sample introduction errors.</p>
<blockquote>
<p><strong>Presenter:</strong> Mark Sinnott (Application Engineer, Agilent Technologies, Inc.)</p>
</blockquote>
<blockquote>
<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>


Agilent Technologies: Piercing Precision: Mastering Syringe Techniques in GC

Piercing Precision: Mastering Syringe Techniques in GC

This webinar will cover GC syringe anatomy, wash solvent selection, and syringe damage prevention...

<p><strong>Key Learning Points:</strong></p>
<ul>
<li>Learn how to approach analyzing for PFAS, it is not rocket science like they made it out to be</li>
<li>Become aware of Sporadic PFAS Contamination</li>
<li>Understand how to identify false positives</li>
<li>Require all analysis quality control and samples to be analyzed in replicates to identify false positives</li>
</ul>
<p><strong>Who Should Attend:</strong></p>
<ul>
<li>Anyone who is new or has used Quechers and needs to have an update and an insight on Quechers method</li>
</ul>
<blockquote>
<p><strong>Presenter:</strong> Duilio Romanello (Senior Technical Specialist, Phenomenex)</p>
</blockquote>
<blockquote>
<p>Duilio Romanello graduated with his Bachelors of Science in Pharmaceutical Chemistry and Technology from University of Bologna. Duilio then joined Phenomenex in 2008 as an Inside Technical Sales Consultant becoming Team Leader in Italy for GC/SPE in 2010 and then for the Environmental &amp; Food Team. Since 2016 he has been covering the role of  Account Manager for the South of Italy working remotely and acting as GC Specialist. Since November 2023 he is Senior Technical Specialist for the Technical team at Phenomenex.</p>
</blockquote>


Phenomenex: Quechers 101: Background and Updates

Quechers 101: Background and Updates

Learn how to approach analyzing for PFAS, it is not rocket science like they made it out to be

<p><strong>Key Learning Points:</strong></p>
<ul>
<li>Understand the benefit of using SPE than other sample preparation techniques </li>
<li>Learn the basic protocol for SPE method and separation modes</li>
<li>Dig into reverse phase SPE typical protocol, and solid phase extraction media</li>
</ul>
<p><strong>Who Should Attend:</strong></p>
<p>Anyone beginning with solid phase extraction (SPE) technique, or anyone struggling with method sensitivity</p>
<blockquote>
<p><strong>Presenter:</strong> Grace Guo (Senior Technical Specialist, Phenomenex)</p>
</blockquote>
<blockquote>
<p>Grace Guo graduated from the Johns Hopkins University with a Master’s degree in Material Science and Engineering. She joined Phenomenex Technical Team in 2017 providing technical support globally. With more than 8 years of experience on SPE, HPLC and GC, she delivered 50+ seminars and webinars globally covering food and environmental, clinical, pharma and biopharma industry. </p>
</blockquote>


Phenomenex: Solid Phase Extraction Introduction and Theory

Solid Phase Extraction Introduction and Theory

Understand the benefit of using SPE than other sample preparation techniques.

<h4><strong>The Waters 2024 Virtual Summer School - An Educational Journey to Master Food &amp; Environmental Analysis</strong></h4><p>Unlock the full potential of LC-MS techniques with our immersive and educational sessions at the Waters Virtual F&amp;E Late Summer School 2024. From September 24th to 26th, engage with leading experts and discover cutting-edge methods for environmental and food analysis.</p><h5><strong>Why attend?</strong></h5><ul><li><strong>Comprehensive Learning:</strong> Dive deep into advanced LC-MS techniques and gain practical knowledge to enhance your laboratory's analytical capabilities.</li><li><strong>Expert Insights:</strong> Learn from industry leaders and gain firsthand experience through detailed modules on chromatography, mass spectrometry, and sample preparation.</li><li><strong>Regulatory Compliance:</strong> Stay ahead with the latest insights on EU regulations for PFAS analysis in food and water, ensuring your lab meets stringent standards.</li></ul><h3><strong>Episode #4: Chromatography - APGC | F&amp;E Summer School - Day 1 - Module 4</strong></h3><p>Discover the advantages of GC coupled to MS under atmospheric pressure (Atmospheric Pressure GC/ APGC) as a powerful alternative to electron ionization (EI) for GC-MS. Gain a comprehensive understanding of the APGC technology and its operational principles. Explore why APGC offers higher sensitivity, selectivity, and robustness compared to traditional EI methods. Maximize versatility and efficiency by understanding how to achieve both LC and GC capabilities on the same MS system as well as using nitrogen as an alternative carrier gas.</p><h5><strong>What you'll learn:</strong></h5><ul><li>How APGC works</li><li>Enhanced performance over classic EI-GC</li><li>Ease of use and implementation in the lab</li><li>Usage of nitrogen as GC carrier gas</li></ul><blockquote><p><strong>Presenter:&nbsp;</strong>Frank L. Dorman, PhD, FRSC (Principal Environmental Market Manager, Waters Corporation)</p><p>Frank Dorman is currently Senior Business Development Manager for Waters focusing on their global environmental business and, concurrently, Associate Professor (adjunct) in the Department of Biochemistry and Molecular Biology (BMB) at Penn State University in University Park, PA. In his role at Waters, Frank manages the research-focused environmental market, external collaborations and also interfaces with R&amp;D for new product development. Prior to Waters, Frank was employed full-time as a tenure-line Faculty member of Penn State and served as a member of the Graduate Faculty in: Biochemistry, Microbiology and Molecular Biology (BMMB), Chemistry (CHEM) and the Programs in Forensics Science (FRNSC), and Biogeochemistry (BGC). Frank is also a member of the Center for Molecular Toxicology and Carcinogenesis at Penn State. Frank’s scientific interests are in gas and liquid chromatography fundamental characterization, instrumentation and column development, as well and mass spectrometry and atomic spectroscopy as applied to trace analysis in complex sample matrices. This work is directed towards environmental forensics, traditional forensic chemistry and where environmental exposure events may contribute to human disease; an area sometimes referred to as “exposomics”.</p><p>Prior to joining the faculty at PSU, Frank was at Restek Corporation for 14 years as the Director of Technical Development, and R&amp;D Senior Chemist. During most of this same time, Frank was also an Adjunct Research Professor at Juniata College where he maintained an active undergraduate research program. Prior to that he was at Inchcape Testing Services for 5 years as a Senior Chemist, Organics Section Manager for Sample Preparation and Corporate Methods Development Chemist. As such, Frank has extensive experience in both the Industrial and Academic sectors giving him a relatively rare combination of skills and experience.</p><p><strong>Presenter:&nbsp;</strong>Janitha De-Alwis (Senior Applications Chemist, European Applications Team, Food and Environmental, Waters Corporation)</p><p>JD has worked in the chromatography industry for over 10 years and has recently joined Waters Corporation as a senior applications chemist. Prior to joining Waters, JD managed a group at a leading food research and contract organisation. Here, JD helped the food, drink and associated industriesproactivelyand reactively in the area of chemical toxins.As a senior applications chemist, JD now develops new applications with Waters technologies and helps customers with their critical analytical challenges.</p></blockquote>

Waters Corporation: The Waters 2024 Virtual Summer School

Chromatography - APGC

Discover the advantages of GC coupled to MS under atmospheric pressure (APGC) as a powerful alternative to electron ionization (EI) for GC-MS.

<h4><strong>The Waters 2024 Virtual Summer School - An Educational Journey to Master Food &amp; Environmental Analysis</strong></h4><p>Unlock the full potential of LC-MS techniques with our immersive and educational sessions at the Waters Virtual F&amp;E Late Summer School 2024. From September 24th to 26th, engage with leading experts and discover cutting-edge methods for environmental and food analysis.</p><h5><strong>Why attend?</strong></h5><ul><li><strong>Comprehensive Learning:</strong> Dive deep into advanced LC-MS techniques and gain practical knowledge to enhance your laboratory's analytical capabilities.</li><li><strong>Expert Insights:</strong> Learn from industry leaders and gain firsthand experience through detailed modules on chromatography, mass spectrometry, and sample preparation.</li><li><strong>Regulatory Compliance:</strong> Stay ahead with the latest insights on EU regulations for PFAS analysis in food and water, ensuring your lab meets stringent standards.</li></ul><h3><strong>Episode #5: General Sample Preparation | F&amp;E Summer School - Day 2 - Module 1</strong></h3><p>Sample preparation is a key aspect in the analytical workflow and heavily determines the quality of the analysis. Solid Phase Extraction is a fundamental sample preparation technique widely used across all areas of analytical chemistry. Whether new to SPE or seeking a refresher, this webinar will introduce the basics of sample preparation and provide practical insights and technical background on the benefits when choosing SPE over another form of sample preparation, especially for analytes in complex matrices, such as the ones often encountered in Food and Environmental analysis. Join us in exploring SPE key parameters and best practices for implementing successful SPE methods. The session will combine PowerPoint slides with videos describing good practices and showing a practical example on the complex analysis of PFAS.</p><p>Our guest speaker Chiara Sarti from Cranfield University, Bedford UK, will share her research results on the work with new dual layer cartridges to extract PFAS from different environmental samples.</p><h5><strong>What you'll learn:</strong></h5><ul><li>Understanding SPE fundamentals</li><li>Making SPE simple with water-wettable sorbents</li><li>Verifying successful SPE implementation</li></ul><blockquote><p><strong>Presenter:&nbsp;</strong>Xavier Rodríguez (Business Development Manager Chemistry Group, Southern Europe, Waters)</p><p>Xavier is part of the European Market Development Team. He works as an Application Specialist with focus on sample prep and has more than 20 years of experience in solving sample prep challenges.</p><p><strong>Presenter:&nbsp;</strong>Chiara Sarti (Ph.D. Student, Department of Chemistry "Ugo Schiff", University of Florence)</p></blockquote>

General Sample Preparation

Join us in exploring SPE key parameters and best practices for implementing successful SPE methods. 

<h4><strong>The Waters 2024 Virtual Summer School - An Educational Journey to Master Food &amp; Environmental Analysis</strong></h4><p>Unlock the full potential of LC-MS techniques with our immersive and educational sessions at the Waters Virtual F&amp;E Late Summer School 2024. From September 24th to 26th, engage with leading experts and discover cutting-edge methods for environmental and food analysis.</p><h5><strong>Why attend?</strong></h5><ul><li><strong>Comprehensive Learning:</strong> Dive deep into advanced LC-MS techniques and gain practical knowledge to enhance your laboratory's analytical capabilities.</li><li><strong>Expert Insights:</strong> Learn from industry leaders and gain firsthand experience through detailed modules on chromatography, mass spectrometry, and sample preparation.</li><li><strong>Regulatory Compliance:</strong> Stay ahead with the latest insights on EU regulations for PFAS analysis in food and water, ensuring your lab meets stringent standards.</li></ul><h3><strong>Episode #6: Automated Sample Preparation | F&amp;E Summer School - Day 2 - Module 2</strong></h3><p>This Module builds on the previous one by adding automation to the sample preparation methods. The Andrew+™ pipetting robot offers fully automated liquid handling using electronic pipettes and labware holders called Dominos for a full walk-away automation solution.</p><p>Creating the connected laboratory, Andrew+ is part of the OneLab™ ecosystem, executing laboratory protocols designed in OneLab software. This flexible architecture enables you to effortlessly transition from laborious manual pipetting procedures to error-free, fully-robotized lab workflows – without any knowledge of programming, laboratory robotics or automation engineering. and explains processes the Andrew+ pipetting robot can take over in your lab.</p><p>The European Union has adopted Commission Recommendation (EU) 2022/1431 to monitor PFAS in fruits, vegetables, milk and baby food. To achieve quantification at lowest levels of PFAS in food matrices, sample preparation is required which comprise of many pipetting steps and can be time-consuming and error prone. We will demonstrate an automate workflow for the analysis of PFAS in milk using a pipetting robot and stacked dual-phase SPE cartridges to meet EU 2022/1431 levels.</p><h5><strong>What you'll learn:</strong></h5><p>Possibilities to automat liquid handling processes in LC and LC-MS e.g.</p><ul><li>Serial dilution</li><li>Calibration curve</li><li>Solid Phase Extraction (SPE)</li></ul><blockquote><p><strong>Presenter:&nbsp;</strong>Xavier Rodríguez (Business Development Manager Chemistry Group, Southern Europe, Waters)</p><p>Xavier is part of the European Market Development Team. He works as an Application Specialist with focus on sample prep and has more than 20 years of experience in solving sample prep challenges.</p><p><strong>Presenter:&nbsp;</strong>Daniel Ng PhD (Principal Scientist, Waters Corporation)</p><p>Daniel Ng received his PhD from the University of Manchester in mass spectrometry proteomics. He worked for 5 years at the Waters mass spectrometry headquarters in Wilmslow, UK, as a service support development engineer specializing in mass spectrometry instrumentation. In 2019, he took up a new role as a principal scientist at the International Food and Water Research Centre (Waters) in Singapore focusing on using advanced instrumentation to answer analytical challenges in the food and water industry. Since 2023, Daniel has lead the Food, Environmental and Material Science Analytical Professional Service team in the Asia-Pacific Region, developing analytical solutions to meet key challenges that customers face.</p></blockquote>

Automated Sample Preparation

The Andrew+™ pipetting robot offers fully automated liquid handling using electronic pipettes and labware holders.

<p><strong>This session will provide a comprehensive introduction to the user interface, ensuring you can navigate with ease. Discover the various acquisition modes available and learn how to select the best one for your specific application.</strong></p><p>Additionally, we will explore the innovative Intelligent Reflex feature, highlighting its benefits in boosting your productivity.</p><p>Whether you’re new to MassHunter or looking to refine your skills, this webinar is designed to enhance your understanding and efficiency.</p><blockquote><p><strong>Presenter:</strong> Christian Hegmanns (Application Specialist LC/MS, Agilent Technologies, Waldbronn, Germany)</p><p>Christian Hegmanns is a state-certified food chemist and works at Agilent as an LC/MS application specialist.</p><p>With over 10 years of experience in the field of instrumental analysis, Christian develops customer-oriented solutions for a variety of applications with a focus on food analysis.</p></blockquote>

Agilent Technologies: MassHunter Masterclass Months

MassHunter Acquisition Q-TOF Part I – Basic Overview

Join us for an insightful webinar where we delve into the essentials of MassHunter Acquisition Q-TOF. 

<p><strong>This webinar will guide you through optimizing your Q-TOF for superior data quality by selecting the most suitable tune mode for your samples.</strong></p><p>We will delve into various MS acquisition modes, including MS only, All Ions (QRAI), Auto MS/MS (directed MS/MS; targeted MS/MS), and PRM mode.</p><p>Learn how to fine-tune method settings to enhance your data quality and achieve the best analytical results. Whether you’re a seasoned user or new to QTOF, this session will provide valuable insights to elevate your mass spectrometry.</p><blockquote><p><strong>Presenter:</strong> &nbsp;Stefan Schaebler (Application Specialist LC/MS, Agilent Technologies)</p><p>Stefan completed his PhD in Biology, specializing in LC-MS-based lipidomics and metabolomics. Following his doctoral studies, he joined Agilent Technologies as an LC/MS Application Specialist. In this role, Stefan focuses on small molecule applications using LC-QTOF, with a strong emphasis on software tools and data interpretation.</p></blockquote>

MassHunter Acquisition Q-TOF Part II – Advance Settings

Join us for an in-depth exploration of advanced settings in MassHunter Acquisition for Q-TOF systems.

<p><strong>We’ll explore how outlier setup can help you focus on samples and compounds that require your attention, ensuring accurate and reliable results.</strong></p><p>Additionally, you’ll learn how viewing compounds and calibration at a glance can expedite data review, making the process faster and more intuitive.</p><p>Finally, we’ll demonstrate how easily you can summarize your results in comprehensive reports or export them to Excel, streamlining your workflow and enhancing productivity.</p><p>Don’t miss this opportunity to enhance your data analysis skills with MassHunter Quant!</p><blockquote><p><strong>Presenter:</strong> Peter Kornas (LC/MS Applikationsspezialist, Agilent Technologies)</p><p>Peter Kornas has more than 10 years of experience in the development and validation of analytical methods for the determination of pesticides, mycotoxins and contaminants using LC/MS/MS. Before joining Agilent as an LC/MS application specialist in 2018, he worked as an analytical chemist in the food industry. During this time, he was responsible for the development and validation of analytical methods and worked in close coordination with Regulatory Affairs to ensure compliance with the legal requirements of the LC/MS method portfolio.</p></blockquote>

MassHunter Quant – A Fast and Easy Way from Data to Results

Join us and discover how quickly a quantitation method can be set up, enabling efficient data processing.

<p><strong>We kindly invite you to join us for this live webinar: An Introduction to Nanoscale Infrared Spectroscopy and Imaging with Photothermal AFM-IR.</strong><br><br>Infrared (IR) spectroscopy is a commonly used characterization technique for organic materials and many inorganic compounds and crystals. While powerful, it is limited by the diffraction limit to resolution on the order of several microns, and the lateral resolution is strongly dependent on the wavelength.<br><br>Photothermal AFM-IR&nbsp;is a novel technique which offers IR spectroscopy and imaging on materials with a lateral resolution 1000x better than traditional FTIR and &lt;1 nm detection sensitivity with model-free interpretation. AFM-IR achieves this by using an AFM probe as the detector of photothermal expansion. This opens a variety of applications on both organic and inorganic materials where nanometer sensitivity and resolution are key.</p><div><br><strong>In this webinar we will:</strong></div><ul><li>Introduce the photothermal AFM-IR technique</li><li>Explore the surprisingly simple mechanism underlying the technique</li><li>Highlight a few of its many broad applications</li><li>Offer a demonstration of photothermal AFM-IR on the Dimension IconIR system</li></ul><blockquote><p><strong>Presenter:</strong> Peter De Wolf, Ph.D., (Director of Technology &amp; Application Development)</p><p>Peter De Wolf is director for AFM technology &amp; application development at Bruker Nano Surfaces, covering all applications related to Scanning Probe Microscopy (SPM). He obtained his PhD from IMEC, Belgium on the development of new SPM methods for 2D carrier profiling in semiconductors and has more than 25 years of experience on SPM. He is the author and co-author of over 30 publications related to electrical characterization using SPM. He also owns several SPM patents, and developed several new SPM modes for electrical characterization.</p><p><strong>Presenter:</strong> Cassandra Phillips, Ph.D. (Application Scientist, Bruker)</p><p>Cassandra did her Ph.D. at the University of Toronto exploring the photophysics of boron nitride nanotubes using scattering scanning nearfield optical microscopy (s-SNOM) and computational models. She has been working at Bruker Nano Surfaces and Metrology since September 2019 as an Applications Scientist focusing on nanoscale IR spectro-microscopy and other correlated imaging techniques realized with atomic force microscopy.</p><p><strong>Presenter: </strong>Dr. Qichi Hu, (Senior Applications Scientist )</p><p>Qichi is currently a Senior Staff Applications Scientist at Bruker Nano. He received a bachelor’s degree from Peking University and Ph.D. from University of British Columbia. He then did postdocs in U.S. university and national labs. Qichi has been working on nanoIR development and applications for over a decade, at Anasys and now at Bruker.</p></blockquote>

Bruker: Introduction to Nanoscale Infrared Spectroscopy and Imaging with Photothermal AFM-IR

Introduction to Nanoscale Infrared Spectroscopy and Imaging with Photothermal AFM-IR

An Introduction to Nanoscale Infrared Spectroscopy and Imaging with Photothermal AFM-IR.

GCMS webinars focusing on Academy/Principles - page 5