<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

BaySpec Continuity Portable Mass Spectrometer

Continuity™ is a highly sensitive portable mass spectrometer with built-in MS/MS, broad mass range, and ambient ionization, delivering real-time, lab-quality analysis directly in the field without sample preparation.

<h3><strong>Higher sensitivity portable mass spectrometer</strong></h3><p><strong>Continuity™ - the most sensitive portable mass spectrometer designed to provide quality and reliable mass spectrometer analysis outside of the laboratory. Continuity™ was created to provide even higher sensitivity, greater specificity with built-in MS/MS, and larger mass range coverage than its ground-breaking counterpart Portability™.&nbsp;</strong></p><p>Like its counterpart, Continuity™ requires no sample preparation and is compatible with almost any ambient ionization source including ESI, APCI, TD-ESI, TD-APCI, and DBDI. It allows for a broad range of applications from clinical to drug to chemical and biological threats analysis. The user-friendly interface, rapid deployment, and real-time results make Continuity™ a great solution for fast, dependable, and highly sensitive field analysis for any user in any location. This potable mass spectrometer is the excellent solution for various challenging applications, including vapors/liquids/solids, CWAs/TICs, biological/biomedical, forensic, agriculture, food safety, security, and explosives.</p><h4><strong>Key Features</strong></h4><ul><li>Portable and High Sensitivity</li><li>Vapors, Liquids, Solids</li><li>Ambient Ionization</li><li>MS/MS Analysis</li><li>No Tanks or External Pumps</li><li>No Sample Prep</li><li>Field Analysis Ready</li><li>Real-time Results</li></ul><h4><strong>Technical specification</strong></h4><ul><li><strong>Mass Range: </strong>m/z = 50 – 1200 amu&nbsp;&nbsp;</li><li><strong>Detection Limit: </strong>High parts-per-trillion/ picograms</li><li><strong>Mass Resolution: </strong>0.49 amu (FWHM)&nbsp;&nbsp;&nbsp;&nbsp;</li><li><strong>MS/MS Capability:</strong> Yes&nbsp;&nbsp;</li><li><strong>Dimension:</strong> 15 x 15 x 15.5 in&nbsp;&nbsp;&nbsp;</li><li><strong>Weight:</strong> 44 lbs. (20 kg)</li></ul>

BaySpec Portability Miniature Portable Mass Spectrometer

BaySpec Portability is an ultra-compact portable mass spectrometer delivering real-time, lab-quality MS/MS analysis in the field with no sample preparation and broad ambient ionization compatibility.

<h3><strong>Portable real-time mass spectroscopic analysis</strong></h3><p><strong>Portability™ - BaySpec’s miniature portable mass spectrometer. This ultra-compact portable mass spectrometer was designed to provide master quality and reliable mass spectroscopic analysis outside of the laboratory. Portability™ strips out the cost of and logistics chore for lab test outsourcing. Requiring no sample preparation and its compatibility with almost any ambient ionization source including ESI, APCI, TD-ESI, TD-APCI, and DBDI.&nbsp;</strong></p><p>This self-contained portable mass spectrometer offers a simple solution for a wide range of applications, such as vapors/liquids/solids, CWAs/TICs, biological/biomedical, forensic, agriculture, food safety, security, and explosives. The user-friendly interface, rapid deployment, and real-time results make Portability a great solution for fast and dependable field analysis for any user in any location.</p><h4><strong>Key Features</strong></h4><ul><li>Ultra-compact &amp; Potable</li><li>Vapors, Liquids, Solids</li><li>Atmospheric Ionization</li><li>MS/MS Capability</li><li>No Tanks or External Pumps</li><li>No Sample Prep</li><li>Field Analysis Ready</li><li>Real-time Results</li></ul><h4><strong>Technical specification</strong></h4><ul><li><strong>Mass Range: </strong>m/z = 50 – 600 amu&nbsp;&nbsp;</li><li><strong>Detection Limit: </strong>Low parts-per-billion/ nanograms</li><li><strong>Mass Resolution: </strong>0.49 amu (FWHM)&nbsp;&nbsp;&nbsp;&nbsp;</li><li><strong>MS/MS Capability:</strong> Yes&nbsp;&nbsp;</li><li><strong>Dimension:</strong> 14.5 x 13 x 9 in&nbsp;&nbsp;&nbsp;</li><li><strong>Weight:</strong> 22 lbs. (10 kg)</li></ul>

BaySpec Agility Portable Mass Spectrometer

Agility™ is BaySpec’s most compact, lightweight mass spectrometer, delivering Portability™-level performance with the lowest SWaP in the lineup.

<p><strong>The epitome of streamlined mass spectrometry, Agility™ offers the same performance as our Portability™ series instruments, but with the lowest size, weight, and power (SWaP) specifications in our lineup. This makes it exceptionally suited for scenarios where minimal footprint and maximum mobility are paramount. Each system is optimized for specific analytical tasks, offering custom specifications tailored to meet unique requirements.</strong></p><h4><strong>Technical specification</strong></h4><ul><li><strong>Detection Limit: </strong>Low parts-per-billion/ nanograms</li><li><strong>Mass Range:&nbsp;</strong><ul><li>m/z 40 — 500</li><li>m/z 80 — 1000</li></ul></li><li><strong>Mass Resolution: </strong>Unit</li><li><strong>Weight: </strong>7 kg (15 lbs.)</li><li><strong>Size: </strong>22.1 x 25.4 x 32.5 cm (8.7” x 10.0” x 12.8”)</li><li><strong>Average Power: </strong>100-240 VAC 50/60 Hz or 24 VDC, 80 W</li></ul>

Thermo Scientific Orbitrap Exploris GC S Mass Spectrometer

Orbitrap Exploris GC S delivers high-resolution GC-MS analysis of dioxins, pesticides, and POPs with accurate mass, exceptional sensitivity, and automated workflows for routine and regulatory laboratories.

<p><strong>The Thermo Scientific Orbitrap Exploris GC S is a next-generation high-resolution GC-MS system designed for the analysis of dioxins, pesticides, persistent organic pollutants (POPs), and other trace contaminants. Combining Orbitrap high-resolution accurate mass (HRAM) technology with streamlined workflows, the system enables quantitative analysis, screening, and confirmation within a single acquisition while delivering exceptional sensitivity, selectivity, and robustness.</strong></p><h4><span><strong>Key Features</strong></span></h4><ul><li>Orbitrap HRAM technology for high-resolution accurate mass measurements</li><li>Full-scan data acquisition for quantitation, screening, and confirmation</li><li>Reliable low-level detection in complex environmental and food matrices</li><li>Enhanced selectivity through accurate mass and isotope pattern recognition</li><li>Mass resolving power up to 60,000 FWHM at m/z 200</li><li>Regulatory-ready identification of dioxins, pesticides, and POPs</li><li>Expanded analytical scope without system reconfiguration</li><li>Supports method consolidation across multiple compound classes</li><li>Reduced matrix interferences and false positive results</li><li>Fast deployment and simplified system operation</li><li>Automated workflows through Chromeleon™ CDS software</li><li>Standardized procedures that reduce reliance on expert operators</li><li>Compact footprint suitable for modern analytical laboratories</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_Orbitrap_Exploris_GC_S_Mass_Spectrometer_4_94149e8563.jpg" alt="Thermo Scientific: Orbitrap Exploris GC S Mass Spectrometer" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_Orbitrap_Exploris_GC_S_Mass_Spectrometer_4_94149e8563.jpg 156w," sizes="100vw" width="650" height="650"></p><h4><span><strong>Advanced Identification Capabilities</strong></span></h4><ul><li>Accurate mass measurements</li><li>Isotope pattern matching</li><li>Retention index confirmation</li><li>Confirmation ions</li><li>Multi-point compound identification in a single analysis</li></ul><h4><span><strong>Typical Applications</strong></span></h4><ul><li>Dioxin analysis</li><li>PCB and brominated flame retardant testing</li><li>Persistent Organic Pollutants (POPs)</li><li>Pesticide residue analysis</li><li>Environmental monitoring</li><li>Food and feed safety testing</li><li>Industrial contaminant analysis</li><li>Non-targeted screening workflows</li><li>Regulatory and forensic laboratories</li></ul><h4><span><strong>Technical Specifications</strong></span></h4><ul><li><strong>Mass Analyzer: </strong>Orbitrap HRAM</li><li><strong>Mass Range: </strong>30–3000 m/z</li><li><strong>Resolving Power: </strong>Up to 60,000 FWHM at m/z 200</li><li><strong>Scan Speed: </strong>Up to 40 Hz at resolution setting 7,500 (m/z 200)</li><li><strong>Mass Accuracy</strong><ul><li>External calibration: &lt;3 ppm RMS drift over 24 hours</li><li>Internal lock-mass calibration: &lt;1 ppm RMS drift over 24 hours</li></ul></li><li><strong>Acquisition Mode: </strong>Full-scan HRAM acquisition</li><li><strong>Software</strong><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76"><strong>Chromeleon™ Chromatography Data System (CDS)</strong></a></li><li>Dioxin HRAM eWorkflow</li><li>Automated data processing and reporting</li></ul></li></ul><h4><span><strong>Laboratory Benefits</strong></span></h4><ul><li>Single platform for targeted and non-targeted analysis</li><li>Retrospective data mining capabilities</li><li>Lower method development and validation costs</li><li>Higher productivity through workflow automation</li><li>Future-proof analytical capability without additional hardware</li><li>Ready for evolving regulatory requirements and emerging contaminants</li></ul>

Thermo Scientific™ TSQ™ 9000 GC-MS/MS System

Triple quadrupole GC-MS/MS system offering exceptional sensitivity, robustness, and smart automation for trace-level quantitation in food, environmental, and forensic analysis.

<p><strong>High-performance triple quadrupole GC-MS/MS platform for routine trace-level quantitation in complex matrices</strong></p><p>The <strong>TSQ™ 9000 GC-MS/MS system</strong> is built for laboratories that demand <strong>uncompromising sensitivity, throughput, and robustness</strong> for trace-level analysis in <strong>food safety, environmental, and forensic/toxicology applications</strong>. Designed to increase productivity and reduce cost-per-sample, this system delivers best-in-class performance with intuitive tools for routine and advanced users alike.</p><h3><strong>Key features and benefits</strong></h3><h4>🚀 <strong>Unstoppable Sensitivity</strong></h4><ul><li><strong>Advanced Electron Ionization (AEI)</strong> source for attogram-level sensitivity, ideal for demanding applications like dioxins and pesticides in baby food.</li><li><strong>ExtractaBrite™ ion source</strong>: robust EI/CI performance, proven in routine use; fully removable under vacuum with NeverVent™.</li><li><strong>Ionization modes: </strong>EI, PCI, NCI (CI available with ExtractaBrite only)</li></ul><h4>🔬 <strong>Unstoppable Performance</strong></h4><ul><li><strong>EvoCell™ collision cell</strong>: up to 800 SRM transitions/s with excellent precision</li><li><strong>0.5 ms minimum dwell time</strong>; up to 97 scans/s; 20,000 u/s quadrupole scan speed</li><li><strong>Mass range</strong>: 1.2–1100 u, unit mass resolution</li><li><strong>Mass stability</strong>: &lt;0.1 u over 48 h</li></ul><h4>🔧 <strong>Unstoppable Uptime</strong></h4><ul><li><strong>NeverVent™ technology</strong> (with VPI &amp; ExtractaBrite): perform maintenance or column changes without venting</li><li><strong>V-Lock</strong> column isolation prevents system venting during GC maintenance</li><li><strong>Dual heated source lenses</strong> for minimal contamination and high matrix tolerance</li></ul><h3><strong>Ease of Use and Intelligent Method Development</strong></h3><ul><li><strong>AutoSRM™</strong>: Automated SRM development wizard</li><li><strong>SIM Bridge™</strong>: Convert legacy SIM methods into SRM in seconds</li><li><strong>Timed-SRM and Retention Time Alignment (RTA)</strong>: Maintain optimal sensitivity and peak tracking across injections</li><li><strong>SmartTune™</strong>: Intuitive system tuning with error guidance</li></ul><h3><strong>Software Platforms</strong></h3><h4><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76"><strong>Chromeleon™ CDS</strong></a></h4><ul><li>Fully integrated control of chromatography and mass spectrometry</li><li>One-click eWorkflows™, Intelligent Run Control, automated compliance tools</li><li>Environmental Analysis Extension Pack for U.S. EPA workflows</li></ul><h4><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/77"><strong>TraceFinder™</strong></a></h4><ul><li>Comprehensive solution for method development, acquisition, processing, and reporting</li><li>Preloaded SRM database for over 1300 pesticides (environmental/food safety versions)</li><li>Application-specific variants for <strong>clinical research</strong>, <strong>toxicology</strong>, and <strong>environmental labs</strong></li></ul><h3><strong>System Specifications</strong></h3><ul><li><strong>Ion sources</strong>: AEI and ExtractaBrite (CI optional)</li><li><strong>Transfer line temperature</strong>: up to 400 °C</li><li><strong>Detector</strong>: DynaMax™ XR system with off-axis dynode and wide dynamic range (&gt;10⁷)</li><li><strong>Mass resolution</strong>: Adjustable 0.4–2.5 u, preset or manual</li><li><strong>Pumping system</strong>: High-capacity turbomolecular with rotary vane or optional oil-free scroll</li><li><strong>Direct Probe Options (VPI only)</strong>: DIP and DEP probes for solid and rapid samples</li></ul><h3><strong>Sample Introduction Options</strong></h3><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/68"><strong>AI/AS 1310 Autosampler</strong></a>: high-precision injections, advanced rinse protocols</li><li><strong>TriPlus™ RSH Autosampler</strong>: robotic automation including dilution, internal standard addition, derivatization, and tool switching</li></ul><h3><strong>System Dimensions and Compatibility</strong></h3><ul><li>Fully compatible with <strong>Thermo Scientific™ TRACE™ 1300/1310 GC</strong></li><li><strong>Mass spectrometer</strong>: 44 × 40 × 89 cm; 61 kg</li><li>Modular design enables scalable performance and easy upgrades</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/application::product.product/Thermo-TSQtm-9000-1310-triplus-rsh_l.webp" alt="Thermo Scientific™ TSQ™ 9000 GC-MS/MS System" width="708" height="708"></p>

Thermo Scientific TSQ 9610 Triple Quadrupole GC-MS

The Thermo Scientific TSQ 9610 triple quadrupole GC-MS/MS systems is the best-in-class system for ultimate sensitivity and quantitation of targeted compounds. Optimized for high-throughput analytical laboratories.

<div><div id="product-description"><p><strong>To confidently stay ahead, your GC-MS/MS system must deliver ultimate performance while consistently producing trusted quantitative results. For this, turn to the Thermo Scientific™ TSQ™ 9610 Triple Quadrupole GC-MS/MS System. User-centric Thermo Scientific™ NeverVent™ technology, extended-life detector, and intelligent software eliminate unnecessary downtime to maximize your sample throughput and return on investment (ROI). New extended linear dynamic range combined with proven high sensitivity ensures you keep ahead of the toughest regulatory methods and business demands.</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/us/en/home/industrial/mass-spectrometry/gas-chromatography-mass-spectrometry-gc-ms/gc-ms-systems/triple-quadrupole-gc-ms.html"><strong>Discover TSQ 9610 GC-MS highlights</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/store/instruments/configurators/trace1600"><strong>Build your GC-MS system</strong></a></li></ul></div><div><h4><strong>Increase instrument uptime</strong></h4><p>Eliminate unnecessary, unplanned instrument downtime to deliver high-confidence quantitative results, day after day. The TSQ 9610 Triple Quadrupole GC-MS/MS System combines unstoppable robustness with the ability to change the GC column and clean the ion source without interrupting analytical workflows.<br><br>Monitor key aspects of your GC-MS system. With Thermo Scientific™ SmartStatus™ instrument tracking within Chromeleon CDS, quickly see whether instruments are ready to run samples, if maintenance is required or if consumables should be replaced. The fully customizable software enables you to make data-driven decisions on when to perform maintenance and avoid unnecessary downtime.</p><h4><strong>Maximize sample throughput</strong></h4><p>When high sample throughput is essential, the system delivers results on time and with ease. Automated workflows and simplified operation ensure every user produces consistent results, sample after sample. Extended linear range and rapid selected reaction monitoring (SRM) scanning enable method consolidation so you can analyze more compounds in a single run. When these capabilities are combined with best-in-class uptime and sensitivity, you stay ahead of any productivity demand.</p><h4><strong>Realize rapid return on investment&nbsp;</strong></h4><p>Ensuring your system delivers results as soon as it’s installed is necessary to achieve rapid ROI. With built-in intelligence that simplifies instrument setup, analytical methods, and everyday operation, the TSQ 9610 Triple Quadrupole GC-MS/MS System is designed for accelerated deployment. Reduced needs for operator training and faster time to full productivity together with maximum sample throughput provide fast return on your instrument</p><h3><strong>TSQ 9610 GC-MS/MS highlights</strong></h3><h4><strong>Unstoppable confidence in quantitative performance</strong></h4><p>Delivering attogram-level sensitivity and best-in-class selected reaction monitoring (SRM) performance, the TSQ 9610 GC‑MS/MS system consistently meets required detection limits as you run samples. Choose the rugged Thermo Scientific ExtractaBrite ion source or the ultra-sensitive, ultra-robust Thermo Scientific Advanced Electron Ionization (AEI) ion source, depending on your sensitivity needs.</p><p>The XLXR electron multiplier detector which extends dynamic range twofold compared to the previous design. Extended dynamic range capability enables labs to combine methods, including calibration curve development, allowing analysis of low- and high-concentration compounds in a single run.</p><div container-id="cq-colctrl-lt0" comp-id="A2"><div><h4><strong>Unstoppable confidence in uptime for full-time productivity</strong></h4><p>The TSQ 9610 GC-MS/MS system is specifically designed for complex sample matrices in high-throughput applications.&nbsp;Using NeverVent technology with the Vacuum Probe Interlock (VPI) and V-Lock source plug, planned maintenance such as changing column and ion source cleaning can be performed without venting the mass spectrometer, increasing uptime. NeverVent technology is available on both the Thermo Scientific ExtractaBrite and the Thermo Scientific NeverVent Advanced Electron Ionization (NV-AEI) sources.</p></div></div><div><div container-id="cq-colctrl-lt0" comp-id="A1"><div><h4><strong>Unstoppable confidence in your investment</strong></h4><p>Rapid instrument deployment reduces time to results and revenue generation. That’s why the TSQ 9610 Triple Quadrupole GC-MS/MS System includes a comprehensive set of automated tools to provide users with a seamless experience when transitioning from other platforms, developing methods, and analyzing samples. This built-in intelligence reduces operator training needs and time to full productivity for rapid ROI.</p></div></div></div><h4><strong>Unstoppable confidence in sample throughput</strong></h4><p>Maximizing sample throughput is essential to producing results on time. The TSQ 9610 Triple Quadrupole GC-MS/MS System incorporates user-centric innovations that extend service intervals, reduce maintenance, and allow methods consolidation to boost sample throughput while maintaining certainty in quality of results.</p></div></div>

Products focused on GC/MS/MS - page 1

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