<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

EST Analytical FLEX 2 Robotic Sampling Platform

The FLEX 2 autosampler streamlines GC/GC-MS workflows with liquid, headspace, and SPME capability, MTX tool change, and Prep Ahead for faster, more reliable VOC analysis.

<p><strong>The FLEX 2 is a versatile GC autosampler designed to handle both sample preparation and sample introduction for GC and GC/MS analysis. Supporting liquid injection, headspace, and SPME, it delivers exceptional accuracy and reproducibility. Its Prep Ahead function improves efficiency by allowing sample preparation during ongoing GC runs, maximizing system utilization and throughput.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/EST_Analytical_FLEX_2_Robotic_Sampling_Platform_3_853e02f151.jpg" alt="EST Analytical: FLEX 2 Robotic Sampling Platform" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_EST_Analytical_FLEX_2_Robotic_Sampling_Platform_3_853e02f151.jpg 168w," sizes="100vw" width="628" height="584"></p><h4><strong>Key Features</strong></h4><h5><strong>Flexible Sample Preparation with Multi Tool Change (MTX)</strong></h5><ul><li>Automated <strong>Multi Tool Change (MTX)</strong> enables seamless switching between tools</li><li>Enhances laboratory productivity, accuracy, and safety by reducing manual prep errors</li><li>Supports dilution, reagent addition, and internal standard spiking with precision</li><li>Can operate as a benchtop preparation station for derivatization and extraction steps</li></ul><h5><strong>Liquid Injection Capabilities</strong></h5><ul><li>Injection range: <strong>0.5–10 μL</strong> (standard syringe) or <strong>50–500 μL</strong> (optional large-volume syringe)</li><li>Supports both standard and large-volume injections (up to 500 μL)</li><li>Programmable injection speed control, from ultra-fast to very slow</li><li>Optional cooled trays available for temperature-sensitive samples</li></ul><h5><strong>Headspace Sampling</strong></h5><ul><li>Injection range: <strong>100–2500 μL</strong> (2.5 mL syringe), <strong>100–1000 μL</strong> (1.0 mL syringe), or <strong>500–5000 μL</strong> (5.0 mL syringe)</li><li>Offers both <strong>orbital</strong> and <strong>oscillating</strong> agitation to improve sample consistency</li><li>Six heated vial positions for <strong>2, 10, or 20 mL vials</strong></li><li>Temperature range: <strong>ambient to 200 °C</strong></li><li>Shaking: orbital (120–750 rpm) or oscillation (190 Hz)</li></ul><h5><strong>Automated SPME</strong></h5><ul><li>Compatible with both traditional and direct immersion SPME methods</li><li>Heated conditioning station:<ul><li>Fiber: <strong>ambient to 350 °C</strong></li><li>Needle: <strong>ambient to 150 °C</strong></li><li>Sweep gas port for conditioning</li></ul></li><li>Heated mixing station: <strong>ambient to 150 °C</strong>, mixing speeds <strong>380–725 rpm</strong></li></ul><h5><strong>Efficiency &amp; Throughput</strong></h5><ul><li><strong>Prep Ahead function</strong> allows ongoing sample prep during GC runs</li><li>Fully automates switching between liquid injection, headspace, and SPME with MTX</li><li>Reduces manual workload and preparation errors while improving reproducibility</li></ul><h4><strong>Technical Specifications</strong></h4><ul><li><strong>Compatible Systems</strong>: GC and GC/MS platforms</li><li><strong>Injection Modes</strong>: Liquid (0.5–500 μL), Headspace (100–5000 μL), SPME (traditional &amp; direct immersion)</li><li><strong>Temperature Ranges</strong>: Headspace up to 200 °C, SPME fiber up to 350 °C, SPME needle up to 150 °C</li><li><strong>Agitation</strong>: Orbital (120–750 rpm) and oscillating (190 Hz)</li><li><strong>Capacity</strong>: Six heated vial positions for 2, 10, or 20 mL vials</li><li><strong>Automation</strong>: Multi Tool Change (MTX), Prep Ahead function</li></ul>

EST Analytical LGX-50 for Methane in Water

The EST LGX-50 automates RSK-175 dissolved gas testing in water, boosting throughput, ensuring ASTM/EPA compliance, and reducing manual sample preparation errors.

<p><strong>The LGX-50 automates the preparation of water samples for headspace analysis of dissolved gases such as methane, ethane, and ethene. Traditionally, RSK-175 testing has been labor-intensive and time-consuming, requiring manual vial preparation. The LGX-50 eliminates this step, streamlining workflows and ensuring compliance with EPA Method 5035 and ASTM D8028. By automating dissolved gas extraction, laboratories can boost throughput, reduce errors, and deliver more consistent results for shale gas and environmental testing.</strong></p><h4><strong>Key Features</strong></h4><h5><strong>Maximized Productivity</strong></h5><ul><li>Fully automates <strong>RSK-175 sample processing</strong></li><li>ASTM D8028 compliant for dissolved gas testing</li><li>Holds up to <strong>50 samples</strong> for high-throughput operation</li><li>Optical sensors prevent vial misplacement and syringe/elevator errors</li><li>Robust XYZ design ensures reliability and consistent performance</li></ul><h5><strong>Simplified Operation</strong></h5><ul><li>Intuitive, user-friendly software designed for quick setup and operation</li><li>Remote access functionality allows labs to monitor sample progress via the server</li><li>Reduces manual preparation steps, increasing accuracy and reproducibility</li></ul><h4><strong>Technical Specifications</strong></h4><ul><li><strong>Compliance</strong>: EPA Method 5035, ASTM D8028</li><li><strong>Capacity</strong>: Up to 50 samples per batch</li><li><strong>Target Compounds</strong>: Methane, ethane, ethene, and other dissolved gases in water</li><li><strong>Automation</strong>: XYZ robotic design with optical sensors for error prevention</li><li><strong>Software</strong>: Intuitive, remote-access capable interface</li></ul>

Thermo Scientific TriPlus™ RSH SMART Autosampler

Extend automation, performance, and versatility for GC and GC/MS applications, while ensuring easier and safer operations through SMART consumables ID recognition and usage tracking.

<div><div id="product-description"><p><strong>Expand automated sampling capabilities beyond liquid, headspace, and solid phase microextraction (SPME) injections. The advanced, built-in robotics of the Thermo Scientific™ TriPlus™ RSH SMART Autosampler deliver exceptional precision, sample handling flexibility, and reliable unattended operation. Enabling SMART consumables tracking, it offers easier, safer and traceable operations. Accurate and repeatable sample preparation and injection are essential to achieving the highest quality GC/GC-MS results. Enhance data quality and laboratory efficiency by automating your entire sample handling workflow.</strong></p></div><div><p>The TriPlus RSH SMART Autosampler brings together technological innovations that further expand automation, performance and versatility for GC and GC-MS applications, while ensuring easier and safer operations through SMART consumables ID recognition and usage tracking. Automated high-precision sample handling eliminates the manual labor and downtime typically required for tasks as standard/sample dilutions, internal standard addition and derivatization.</p><h3><strong>SMART Consumables</strong></h3><p>Validated SMART consumables are equipped with unique SMART chip storing parameters, ranges and usage history; enabling full traceability of sample preparation down to the syringe.</p><h3><strong>Automatic Syringe Changeout</strong></h3><p>Automatic Tool Change (ATC) capability automates the use of different syringes for sample preparation steps or different injection techniques within the sequence.</p><h3><strong>Vial Bottom Sensing Expands Application Range</strong></h3><p>Precise detection of vial bottoms enables the autosampler to accurately withdraw from sample amounts as little as 5 μL, enhancing data quality of sample-limited applications.</p><h3><strong>Flexible liquid sample handling</strong></h3><p>Optimized liquid injection modes and customizable syringe filling techniques, support a wide range of sample types and full GC inlet compatibility.</p><h3><strong>Automated headspace injection for volatile analysis</strong></h3><p>High temperature gas-tight syringe allows direct headspace injection into the GC inlet for increased injection volume flexibility. Sample vial capacity of up to 300x 10 mL/20 mL vials and sample incubation overlapping, facilitate long unattended operation.</p><h3><strong>Automated, solvent-free SPME</strong></h3><p>Precise control of all steps—fiber preconditioning, adsorption and desorption, as well as fiber washes—delivers maximum performance for SPME applications. Boost productivity with the optimized SPME Arrow design. It offers optimized fiber geometry to achieve 10x superior sensitivity compared to classical SPME, 2x faster extraction time and superior robustness.</p><h3><strong>Automated Sample Preparation</strong></h3><p>The Triplus RSH SMART Autosampler combines highly versatile sample injection capability with automated sample preparation procedures, eliminating typical GC-MS workflow bottlenecks. Daily operations ranging from sample/standard dilution to more complex derivatization protocols, can be fully automated and easily programmed with the Sampling Workflow Editor Software.</p><h3><strong>Extend productivity with the optional 1D barcode reader</strong></h3><p>The optional 1D barcode reader eliminates the need to log and track sample information manually; enabling you to streamline internal operations, save time, increase efficiency, and reduce errors.</p><h3><strong>Specifications</strong></h3><ul><li><strong>Type: </strong>TriPlus RSH SMART Standard Liquid, Regular Rail</li><li><strong>Sample Capacity:</strong> 4608 Well Plates, 840 x 0.5 mL or 0.7 mL Vials, 648 x 2 mL Sample Vials, 240 x 10 mL or 20 mL Vials</li><li><strong>Injection Mode: </strong>8 Fully Customizable Method-Specific Injection Mode Presets</li><li><strong>Injection Speed:</strong> Selectable from 0.1 μL/s to 2000 μL/s</li><li><strong>Injection Volume: </strong>0.1 to 10,000 μL</li><li><strong>Description: </strong>TriPlus RSH SMART configured for liquid injection on regular X-axis length. Only for manual tool change. Complete with liquid syringe tool, 2 x 10 μL SMART syringes, standard washing station and a single tray holder with 3 trays for 2 mL vials. Expandible to other sampling techniques (Headspace, SPME, SPME Arrow, ITEX-DHS) and with sample preparation tools.</li><li><strong>Tool Exchange:</strong> Only for manual tool exchange. No tool park station.</li><li><strong>For Use With (Equipment):</strong> Compatible with Smart syringes/fibers only.</li></ul></div></div>

Thermo Scientific™ TriPlus™ RSH Autosampler

Robotic GC autosampler with multimode injection, tool exchange, and full sample prep automation. Enables 24/7 workflows for food, environmental, and forensic labs.

<h4><strong>Flexible, high-capacity autosampler for GC and GC-MS with advanced sample prep automation</strong></h4><p><strong>The TriPlus RSH Autosampler is a versatile robotic sampling platform designed to maximize automation, precision, and productivity in gas chromatography workflows. Fully compatible with Thermo Scientific™ GC and GC-MS systems, it supports liquid, headspace (HS), and SPME/SPME Arrow injections, with optional modules for µSPE, ITEX-DHS, and automated sample preparation. The unique Automatic Tool Change (ATC) system allows the autosampler to switch between up to six syringes in a single sequence, enabling unattended workflows for complex multistep protocols.</strong></p><h3><strong>Key Features and Benefits</strong></h3><h4>🧪 <strong>Multimode Injection and Sample Handling</strong></h4><ul><li>Supports liquid, headspace, SPME, SPME Arrow, and ITEX-DHS techniques</li><li>Switch between injection modes in a single sequence using ATC</li><li>Bottom vial sensing enables precise injections from as little as <strong>5 μL</strong> of sample</li></ul><h4>🔁 <strong>Automated Sample Preparation</strong></h4><ul><li>Perform dilution, standard addition, derivatization, and internal standard workflows</li><li>Tools: Vortexer, Incubator, Heatex-Stirrer, Dilutor, µSPE module</li><li>Visual drag-and-drop <strong>Sampling Workflow Editor</strong> for custom prep protocols</li></ul><h4>📦 <strong>High Throughput and Capacity</strong></h4><ul><li>Unattended operation with up to <strong>972 × 2 mL vials</strong> or <strong>840 × 0.7 mL vials</strong></li><li>Extended X-arm option for larger trays and accessory support</li><li>Dual-GC configurations with Clone Mode or DoublePro setups</li></ul><h4>⚙️ <strong>Precision and Flexibility</strong></h4><ul><li>Automated Tool Change (ATC): Up to <strong>6 tools</strong> in one sequence</li><li>Injection volume range: <strong>0.1 μL to 10 mL</strong></li><li>Compatible with all major GC injector types (SSL, PTV, OC, PKD, PPKD)</li></ul><h4>🧠 <strong>Smart Software and Control</strong></h4><ul><li>Fully integrated with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76"><strong>Chromeleon™</strong></a>,<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1758"><strong> Xcalibur™</strong></a>, and <strong>Chrom-Card™ CDS</strong></li><li>Local controller or virtual terminal control interface</li><li>Barcode readers for full sample tracking</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/application::product.product/Thermo-TriPlus-RSH-Autosampler-1.jpg" alt="Thermo Scientific™ TriPlus™ RSH Autosampler" width="null" height="null"></p><h3><strong>Applications</strong></h3><ul><li><strong>Food safety</strong>: Trace analytes, contaminants, derivatization (e.g. FAMEs, dioxins)</li><li><strong>Environmental</strong>: VOCs, SVOCs, POPs, air toxics</li><li><strong>Forensics &amp; clinical</strong>: Biological matrices, explosive residues, drugs</li><li><strong>Chemical industry</strong>: Routine QC, trace impurities, residual solvents</li><li><strong>High-throughput labs</strong>: 24/7 unattended workflows with complex prep steps</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/application::product.product/QExactive-GCMSMS-Orbitrap-with-Autosampler-sideangle-1856x1391.jpg-650.jpg" alt="Thermo Scientific™ TriPlus™ RSH Autosampler" width="null" height="null"></p>

LECO L-PAL3 GC Autosampler

LECO L-PAL3 GC Autosampler delivers flexible, discrimination-free GC injections with automated liquid, headspace, SPME, and ITEX sampling, high vial capacity, and minimal carryover.

<p><strong>Available exclusively from LECO, the L-PAL3 GC Autosampler is a highly robust, fully integrated autosampling platform designed for high flexibility and reliability in gas chromatography workflows. Based on proven CTC PAL3 technology, it supports discrimination-free ultrafast GC injections and minimizes carryover while ensuring precise and reproducible sample handling.</strong></p><p>Key innovations include <strong>automatic tool exchange (ATX)</strong> for seamless switching between liquid, headspace, SPME, and ITEX sampling modes, <strong>vial bottom sensing</strong> to prevent mis-injections, and high vial capacity for unattended operation. These features allow analysts to focus on compound identification without downtime or uncertainty.</p><h3><strong>Key Features</strong></h3><ul><li>Allows for automation of up to 162 two mL samples, or 45 ten/twenty mL samples.</li><li>Discrimination-free injection speeds with complete injection cycle time down to 100 milliseconds.</li><li>Bottom-sensing technology ensures that even very small volumes can be sampled.</li><li>Four separate models available so you may configure your package based on your autosampler needs.</li><li>Automatic Tool Exchange (ATX) allows users to switch between liquid, SPME, and headspace seamlessly.</li><li>96 to 384 well plate sampling supported; requires foil cutter.</li><li>Now available with Peltier cooled racks.</li></ul><h3><strong>Available Configurations</strong></h3><h4><strong>L-PAL3 GC Autosampler – Liquid Injections</strong></h4><ul><li>3-axis CTC-based autosampler/injector</li><li>Standard liquid injections</li><li>5-position solvent wash station</li><li>Liquid syringe tool</li><li>GC mounting kit</li><li>Single tray holder with <strong>3 trays × 54 positions (2 mL vials)</strong></li><li><strong>Non-upgradable configuration</strong></li></ul><h4><strong>L-PAL3 GC Autosampler – Liquid &amp; Headspace Injections</strong></h4><ul><li>Liquid and static headspace injections</li><li>Heated agitator</li><li>5-position solvent wash station</li><li>Liquid syringe tool + heated headspace syringe tool</li><li>GC mounting kit</li><li>Two tray holders:<ul><li><strong>3 × 54 positions (2 mL vials)</strong></li><li><strong>3 × 15 positions (10/20 mL vials)</strong></li></ul></li><li><strong>Manual tool exchange</strong> between liquid and headspace modes</li></ul><h4><strong>ITEX Dynamic Headspace Tool</strong></h4><ul><li>Rapid, sensitive enrichment of volatile and semi-volatile compounds</li><li>Suitable for solid, liquid, and gaseous samples</li><li>Choice of adsorbents for optimal sensitivity</li><li>No sample loops, transfer lines, or valves → minimal contamination risk</li><li>ATX enables <strong>Headspace, SPME, and ITEX</strong> within a single sequence</li></ul><h4><strong>L-PAL3 GC Autosampler – Liquid &amp; SPME Injections</strong></h4><ul><li>Liquid injections and all SPME modes (immersion, headspace)</li><li>Heated agitator</li><li>5-position solvent wash station</li><li>Liquid syringe tool + SPME fiber tools</li><li>SPME fiber conditioning station</li><li>GC mounting kit</li><li>Two tray holders:<ul><li><strong>3 × 54 positions (2 mL vials)</strong></li><li><strong>3 × 15 positions (10/20 mL vials)</strong></li></ul></li><li><strong>Manual tool exchange</strong> between liquid and SPME modes</li></ul><h3><strong>L-PAL3 GC Autosampler – Liquid, Headspace &amp; SPME</strong></h3><ul><li>Fully automated switching between liquid, headspace, and SPME</li><li>Heated agitator</li><li>5-position solvent wash station</li><li>Tools for liquid syringe, headspace syringe, and SPME fibers</li><li>SPME fiber conditioning station</li><li>GC mounting kit</li><li>Two tray holders:<ul><li><strong>3 × 54 positions (2 mL vials)</strong></li><li><strong>3 × 15 positions (10/20 mL vials)</strong></li></ul></li></ul>

Products from category Sample preparation automation focused on GC - page 1

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