<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

Thermo Scientific ITEX Dynamic Headspace Tool 

Thermo Scientific ITEX Dynamic Headspace Tool enables automated VOC enrichment with ppt sensitivity using dynamic headspace for GC workflows.

<p><strong>The Thermo Scientific™ ITEX Dynamic Headspace Tool is an autosampler accessory for the</strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/63"><strong> TriPlus™ RSH </strong></a><strong>and </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/422"><strong>TriPlus RSH SMART</strong></a><strong> Autosamplers designed for the enrichment of volatile organic compounds (VOCs) using dynamic headspace technology. It enables ppt-level sensitivity and allows sample enrichment to be easily integrated into an automated gas chromatography (GC) workflow.</strong></p><ul><li>The ITEX-DHS technique uses a gas-tight syringe to collect the headspace and a microtrap inside the syringe needle to efficiently trap and concentrate VOCs through repeated syringe strokes.&nbsp;</li><li>Sensitivity can be scaled according to the number of strokes, making the method suitable for both low- and high-concentration samples.&nbsp;</li><li>The system is designed for easy method set-up with only a few parameters, simple access to the trap, and excellent robustness for long-term operation.&nbsp;</li><li>A closed system removes any risk of breakthrough.&nbsp;</li><li>Independent trap desorption temperature and flow control maximize desorption efficiency without affecting GC inlet settings.&nbsp;</li><li>When used with the TriPlus RSH SMART autosampler, the SMART gas-tight syringe enables automatic usage traceability.&nbsp;</li><li>The entire automated workflow can be fully controlled through <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76"><strong>Thermo Scientific™ Chromeleon™ CDS</strong></a>.</li></ul><p>For VOC analysis in many liquid and solid samples, ITEX offers a valuable alternative to classical enrichment techniques by combining ease of use with robust performance.</p><h3><strong>Key features</strong></h3><ul><li>Dynamic headspace VOC enrichment with<strong> ppt-level sensitivity</strong></li><li><strong>Easy integration</strong> into automated GC workflows</li><li><strong>Gas-tight syringe and microtrap</strong> in the needle for efficient analyte concentration</li><li><strong>Scalable sensitivity</strong> based on the number of syringe strokes</li><li><strong>Easy method set-up</strong> with few parameters</li><li><strong>Robust design </strong>for long-term operation</li><li><strong>Closed system</strong> minimizing the risk of breakthrough</li><li><strong>Independent desorption</strong> temperature and flow control</li><li><strong>Automatic usage</strong> traceability with SMART gas-tight syringe</li><li>Full control through <strong>Chromeleon CDS</strong></li></ul><h3><strong>Technical specifications</strong></h3><ul><li><strong>Description: </strong>includes SMART gas-tight syringe, focusing trap, built-in trap heating, cooling fan, and trap cleaning capability</li><li><strong>Application: </strong>enrichment of volatile organic compounds (VOCs)</li><li><strong>Compatible equipment: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/63"><strong>TriPlus RSH</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/422"><strong>TriPlus RSH SMART </strong></a>Autosamplers</li><li><strong>Type:</strong> autosampler accessory</li><li><strong>Unit size: </strong>each</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>

Thermo Scientific™ TriPlus™ 500 GC Headspace Autosampler

Powered by a completely new design, the Thermo Scientific™ TriPlus™ 500 Headspace Autosampler delivers reliability and robustness for testing laboratories performing volatiles analysis.

<p><strong>Powered by a completely new design, the Thermo Scientific™ TriPlus™ 500 Headspace Autosampler delivers reliability and robustness for testing laboratories performing volatiles analysis.</strong></p><p>Valve-and-loop technology and <strong>other innovative features</strong> ensure that this autosampler streamlines daily workflows, saving time with reliable unattended operation, optimizing sample throughput with expanded vial capability, and facilitating method portability with powerful software. Smartly integrated with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/483"><strong>Thermo Scientific™ TRACE™ 1600 Series GC</strong></a><strong>,</strong> this modular platform provides today's analytical testing and services laboratories with the productivity needed to succeed.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Pragolab_Schematicke_znazorneni_nastriku_pomoci_Head_Space_autosampleru_Thermo_Tri_Plus_500_fd64009b8a/Pragolab-Schematicke-znazorneni-nastriku-pomoci-HeadSpace-autosampleru-Thermo-TriPlus-500.jpg" alt="Thermo Scientific™ TriPlus™ 500 GC Headspace Autosampler: Valve-and-loop headspace injection principle" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Pragolab_Schematicke_znazorneni_nastriku_pomoci_Head_Space_autosampleru_Thermo_Tri_Plus_500_fd64009b8a/thumbnail_Pragolab-Schematicke-znazorneni-nastriku-pomoci-HeadSpace-autosampleru-Thermo-TriPlus-500.jpg 245w," sizes="100vw" width="1812" height="560"></p><h4><strong>Reliability for analytical testing and services laboratories and versatility for research and method development.</strong></h4><p>The new design of the TriPlus 500 Headspace Autosampler incorporates innovative features for highly accurate analytical results, including:</p><h5><strong>New pneumatic controls for high precision and robustness</strong></h5><ul><li><strong>Best injection repeatability</strong> for consistent results at every run.</li><li><strong>No carryover </strong>due to effective sample path purging.</li><li><strong>Automatic leak check </strong>during injection to ensure safe runs.</li></ul><figure class="image"><img style="aspect-ratio:681/480;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Tri_Plus_500_GC_Headspace_Autosampler_2_62a58c525f.jpg" alt="Thermo Scientific™ TriPlus™ 500 GC Headspace Autosampler: Long Sequence Area Counts Repeatability. 120 consecutive headspace injections of a 50 ppm ethanol solution in water (5 ml in 10 ml crimp top vial). Overall RSD%=0.7" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Tri_Plus_500_GC_Headspace_Autosampler_2_62a58c525f.jpg 221w," sizes="100vw" width="681" height="480"></figure><h5><strong>Best sample integrity and ease-of-use via direct column connection</strong></h5><ul><li><strong>A shorter sample path</strong> for high inertness towards polar compounds.</li><li><strong>Expanded high temperature</strong> <strong>applicability</strong> <strong>with higher recovery </strong>of high boiling point compounds.</li><li><strong>Simplified method set up </strong>with no transfer line and injector temperature settings required.</li></ul><figure class="image"><img style="aspect-ratio:720/484;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Tri_Plus_500_GC_Headspace_Autosampler_3_a7e8932898.jpg" alt="Thermo Scientific™ TriPlus™ 500 GC Headspace Autosampler: Recovery of a standard hydrocarbon mixture C10-C40 at high temperature operation, showing >60% recovery at 300°C" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Tri_Plus_500_GC_Headspace_Autosampler_3_a7e8932898.jpg 232w," sizes="100vw" width="720" height="484"></figure><h5><strong>Compact yet scalable design for better laboratory efficiency and productivity</strong></h5><ul><li>Compact HS-GC design saves<strong> 30%</strong> of valuable bench space.</li><li>Tailored throughput requirements with in-field scalability from<strong> 12 to 240 vials</strong>, requiring no additional space and no compromise on performance.</li><li>Faster sample equilibration with the new <strong>Quick Spin Shaking design</strong> for maximal sensitivity in a shorter cycle time.</li></ul><h5><strong>Comprehensive HS-GC configuration solution</strong></h5><ul><li>Available with<strong> direct column connection</strong> or transfer line for maximum configuration flexibility.</li><li>When a direct column connection is not possible, the autosampler configured with a transfer line maintains <strong>high precision, efficient sample transfer.</strong></li><li>When configured with a transfer line, the TriPlus 500 HS autosampler<strong> </strong>is ideal for connecting to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/483"><strong>Thermo Scientific™ TRACE™ 1600 Series GC</strong> </a>with auxiliary oven or for connection to third-party GC instruments</li><li>The TriPlus 500 HS with transfer line allows <strong>combined headspace and liquid injection</strong> in the same column, through operation with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/70"><strong>TriPlus 100 LS </strong></a><strong>or TriPlus RSH or</strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/422"><strong> RSH SMART</strong></a><strong> autosampler on the same GC.</strong></li></ul><h5><strong>Software and system checks for compliance and data integrity</strong></h5><ul><li>Integrated with <strong>Thermo Scientific™ Chromeleon™ CDS software</strong>, Title 21 CFR Part 11-compliant.</li><li>Easy analytical system performance qualification with the IQ/OQ/PQ Qualification Wizard and daily sequence performance checks with the System Suitability Test Wizard.</li></ul><h4><strong data-start="0" data-end="18" data-is-only-node="">Specifications</strong></h4><ul><li><strong data-start="21" data-end="30">Type:</strong> TriPlus™ 500 GC Headspace Autosampler</li><li><strong data-start="71" data-end="91">Sample Capacity:</strong> 12 Vials, Upgradable to 120 and 240 Vials</li><li><strong data-start="136" data-end="155">Injection Mode:</strong>&nbsp;<ul><li>Standard</li><li>Multiple Headspace Extraction (MHE)</li><li>Multiple Headspace Injection (MHI)</li></ul></li><li><strong data-start="240" data-end="256">Description:</strong> TriPlus™ 500 Headspace Autosampler with Direct Column Connection</li><li><strong data-start="324" data-end="337">Software:</strong> Thermo Scientific™ Chromeleon CDS, Thermo Scientific™ TraceFinder, and Thermo Scientific™ XCalibur Software</li><li><strong data-start="448" data-end="477">For Use With (Equipment):</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/483">Trace 1600 Series</a></li><li><strong data-start="498" data-end="511">Quantity:</strong> Each</li><li><strong data-start="519" data-end="533">Unit Size:</strong> Each</li></ul>

Products from category HeadSpace and SPME injection distributed by Thermo Fisher Scientific (EMEA) - page 1

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