<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 16th March 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 posters by <strong>Agilent Technologies / ASMS </strong>and <strong>MDCW / William &amp; Mary, </strong>application note by<strong> Shimadzu </strong>and other document by <strong>Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Analysis of Extractables and Leachables in Catheters Using Accurate Mass Libraries and High-Resolution GC/MS and LC/MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_7250_revident_extractables_leachables_asms_2025_tp_317_en_agilent_e6d3b2e923.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Materials used in the production of medical devices contain substances that have the potential to leach from the devices. Extractables and leachables (E&amp;L) represent a range of structurally diverse compounds including antioxidants, UV absorbers, dyes, catalysts, plasticizers and polymer degradation products. Therefore, both liquid and gas chromatography techniques coupled with mass spectrometry detectors (LC/MS and GC/MS) are utilized to achieve a comprehensive chemical characterization. Application-specific accurate mass libraries combined with an efficient screening workflow, helps to increase confidence in compound identification that saves time on reviewing data while focused on E/L relevant compounds. In this study, we analyzed catheters extracts using high-resolution MS and performed data analysis using accurate mass libraries.</p><h4><strong>Experimental</strong></h4><p>Catheters from three suppliers were used in this study. Catheter A was made from PVC, and did not include DEHP, DINP, BPA or natural rubber latex. Catheter B was made with natural rubber latex base and silicone elastomer coating, and there was no claim to be phthalate or BPA free. Catheter C was a silicone-coated latex catheter made with natural rubber latex base and no DEHP or BPA. E&amp;L standards were obtained from AChemTek. Catheters were extracted with ethanol:water 1:1 solvent at 37 ˚C for 24 and 48 hours as well as 7 days and analyzed using GC/Q-TOF and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=Revident+LC%2FQ-TOF"><strong>LC/Q-TOF systems</strong></a>. The GC/MS analysis was performed using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC"><strong>8890 GC</strong></a> coupled to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7250+GC%2FQ-TOF"><strong>7250 Q-TOF</strong></a> and the new Agilent low bleed DB-5Q column.</p><h4><strong>Results and Discussion</strong></h4><h5><strong>Accurate Mass E&amp;L Library for GC/Q-TOF</strong></h5><p>To create a new Agilent accurate mass E&amp;L Personal Compound Database Library (PCDL) for GC/Q-TOF, over 400 spectra have been collected for E&amp;L compounds. All accurate mass fragment ions in each spectrum have been annotated with formulas based on accurate mass information and isotope ratios (Figure 3). The fragment formula annotations were then verified and converted to the theoretical m/z.</p><h4><strong>Conclusions</strong></h4><ul><li>A combined workflow for the analysis of extractables and leachables by high-resolution GC/MS and LC/MS was developed using catheter extracts.</li><li>Both GC/MS and LC/MS techniques were necessary to cover a comprehensive list of E&amp;L compounds. Although several E&amp;L compounds were detected by<br>both GC/MS and LC/MS, in most cases hydrocarbons, most plasticizers, and some antioxidants were more amenable to GC/MS.</li></ul><h3><strong>2. MDCW / William &amp; Mary: A sustainable approach to nontargeted analysis using hydrogen as a carrier gas for GC×GC</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_13_Fisher_2c50f2c420.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Comprehensive two-dimensional gas chromatography (GC×GC) is a separation technique used to separate complex mixtures based on two different retention mechanisms, usually polarity and volatility. A nontargeted approach is commonly used for a separation technique such as GC×GC. This type of approach means that instead of looking for one or two specific components and disregarding the rest of the sample, the whole sample can be viewed exhaustively. This approach is more applicable for forensic cases especially, where the identity or composition of the sample is unknown. It is also a more sustainable approach because only one run is needed to have the full characterization of a sample instead of needing to run a sample multiple times with a different target analyte each time.</p><h4><strong>EXPERIMENTAL</strong></h4><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/37"><strong>LECO’s Pegasus BT4D</strong></a> instrument was used for this project.</li></ul><h4><strong>RESULTS</strong></h4><p><strong>AGREEprep Comparisons:</strong> The overall scores for the two methods were 0.44 and 0.52 for helium and hydrogen, respectively. This means that the hydrogen method is more sustainable than the helium method. The criteria breakdown in Figure 6 shows the 10 different criteria used to score the methods, including sample throughput, sample preparation steps, and sustainable material usage, namely carrier gas choice.</p><h4><strong>CONCLUSIONS</strong></h4><p>The Restek EZGZ Method Translator can be used to provide three possible hydrogen methods for any given helium method. After inputting the values of a helium method, the respective hydrogen values are given for three possible methods, each prioritizing something different: translate, efficiency, and speed. The translate method was chosen as the best choice.&nbsp;</p><p>The hydrogen method achieved a higher score on the AGREEprep metric, meaning that this method is more sustainable that the helium method. This better score is solely due to the carrier gas change – everything else in the methods stayed constant.&nbsp;</p><p>Hydrogen as a carrier gas allows for higher sample throughput and faster run times. It can also be a renewable resource, made through the electrolysis of water in a laboratory using a generator.&nbsp;</p><p>A nontargeted approach is inherently greener than a targeted approach because instead of re-running a sample multiple times to analyze a different component each time, the whole picture was captured from the beginning and can be looked at through a different lens to analyze a new component.</p><h3><strong>3. Shimadzu: Analysis of PFAS in Textiles Based on EN 17681-1 and EN 17681-2</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01108_en_e04fe25939.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>Combining LCMS and GCMS enables the determination of PFAS below threshold limits in textiles.&nbsp;</li><li>Spike recovery test shows good percentage recoveries of all compounds (70–130 %) that are at or below the EU POPs threshold limit (25 ppb).</li><li>LabSolutions software offers integrated control over GCMS and LCMS for more efficient testing and data analysis.</li></ul><p>Per- and polyfluoroalkyl substances (PFAS) are used in a wide range of applications because of their useful properties, such as heat resistance and water repellency. However, PFAS are also extremely stable substances that resist degradation and accumulate in the environment, which has led to concerns about their effects on humans. Since eliminating sources of PFAS is essential to prevent them from accumulating in the environment and in living organisms, many countries are passing laws that restrict the production, distribution, and use of PFAS in products. For example, the EU POPs Regulation sets a permitted threshold of up to 0.025 mg/kg (25 ppb) for certain PFAS (including PFOA, PFOS, and PFHxS) in substances, mixtures, and products<sup>1)</sup>.&nbsp;</p><p>EN 17681 is a European standard that describes methods for determining PFAS in textiles. The EN 17681 standard is divided into two parts according to the target compounds and methods. EN 17681-1 describes an LC/MS/MS method that targets ionic PFAS, and EN 17681-2 describes a GC/MS(/MS) method that targets certain semi-volatile and volatile neutral PFAS. A 2025 revision of EN 17681-1 changed the sample preparation method for more efficient PFAS extraction<sup>2),3)</sup>.&nbsp;</p><p>This Application News describes the analysis of the target compounds shown in Table 1 based on the EN 17681-1 and EN 17681-2 standards, using both LC/MS/MS and GC/MS/MS.</p><h4><strong>&nbsp;EN 17681-1 (LC/MS/MS) Analysis Conditions</strong></h4><p>Analysis was performed using the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-8050RX"><strong>LCMS-8050RX triple quadrupole mass spectrometer</strong></a> (Fig. 1, left). The analysis conditions used are shown in Table 3. Analyzing PFAS necessitates caution because PFAS can leach from the analytical system, the mobile phase or other sources. PFAS contamination from the system was minimized by attaching a delay column between the mixer and autosampler. The mobile phase was also prepared using PFAS grade reagents.</p><h4><strong>EN 17681-2 (GC/MS(/MS)) Analysis Conditions</strong></h4><p>Analysis was performed using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8050+NX"><strong>GCMS-TQ8050 NX triple quadrupole mass spectrometer</strong></a> (Fig. 1, right) that was equipped with a boosted efficiency ion source (BEIS). The BEIS optimizes the electron beam focus for maximum ionization efficiency, enabling reliable analysis of PFAS at very low levels. The analysis conditions used are shown in Table 4.</p><h4><strong>Results from Analysis of Ski Wear</strong></h4><p>Old ski clothing was used as a sample. The results obtained from analyzing this sample by the EN 17681-1 (LC/MS/MS) method are shown in Fig. 11. To investigate the effect of the EN 17681- 1:2025 update, analysis was performed using both the preupdate (EN 17681-1:2022) and post-update (EN 17681-1:2025) sample preparation methods. The alkaline hydrolysis treatment used by the EN 17681-1:2025 method dramatically increased the amounts of NMeFOSE, 6:2 FTOH, 8:2 FTOH, and 10:2 FTOH that were detected, and these compounds were detected at levels above the upper limit of their respective calibration curve ranges. This shows that PFAS extraction is improved by using the updated EN 17681-1:2025 sample preparation method. Of the 33 compounds targeted by the LC/MS/MS method, 20 were detected in the sample.&nbsp;</p><p>Analyzing the sample by GC/MS/MS using the EN 17681-2 method detected 8 out of the 12 compounds targeted by the EN 17681-2 method. Of these, 8:2 FTOH and 10:2 FTOH were detected at levels above the upper limit of their respective calibration curve ranges (Fig. 12).</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The analysis of PFAS in textiles was performed according to EN 17681-1 and EN 17681-2 standards, utilizing the LCMS-8050RX and GCMS-TQ8050 NX systems. By combining LC/MS/MS analysis and GC/MS analysis, all target compounds were successfully measured at levels of 25 ppb or less. Spike recovery test at the EU POPs threshold limit (25 ppb) also demonstrated good percentage recovery (70–130 %) for all compounds. Results also showed that PFAS extraction was improved by using the EN 17681-1:2025 sample preparation method, which was updated in 2025.</p><h3><strong>4. Thermo Fisher Scientific: Fast on-line monitoring of flare gases</strong></h3><ul><li>Other document</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/fast_on_line_monitoring_of_flare_gases_wp1635_27fa9188ff.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Measurement of flare gas streams by process mass spectrometry</strong></h4><p>Process mass spectrometry (MS) is particularly suited to the measurement of flare gas streams because it offers accurate, fast, multicomponent analysis. Table 1 shows an example of a flare gas stream containing hydrogen, nitrogen and hydrocarbons up to C6. Analysis of these eleven components will typically be performed in just 20 seconds, allowing one mass spectrometer to monitor more than one flare, depending on the distances involved. Alternatively, one MS can be used to measure process streams and flare streams, even though the composition and concentrations may be very different.</p><h4><strong>Advantages of magnetic sector MS&nbsp;</strong></h4><p>Thermo Fisher Scientific manufactures both quadrupole and magnetic sector mass spectrometers. Over thirty years of industrial experience have shown the magnetic sector based analyzer offers the best performance for industrial online gas analysis. <strong>Thermo Scientific™ Prima PRO process mass spectrometers</strong> (Figure 1) offer ideal capabilities for industrial gas analysis.&nbsp;</p><p>Key advantages of magnetic sector analyzers include improved precision, accuracy, long intervals between calibrations and resistance to contamination. Typically, analytical precision is between 2 and 10 times better than a quadrupole analyzer, depending on the gases analyzed and complexity of the mixture.&nbsp;</p><p>Neutral gas atoms and molecules are first converted into positively charged ions in the Prima PRO MS ion source. This is an enclosed type for high sensitivity, minimum background interference and maximum contamination resistance. It is a high-energy (1000 eV) analyzer that offers extremely rugged performance in the presence of gases and vapors that have the potential for contaminating the internal vacuum components. Prima PRO MS has a proven track record of monitoring high percent level concentrations of organic compounds without experiencing drift or contamination.</p><p>Ions are then accelerated through a flight tube, where they are separated by their mass to charge ratios in a magnetic field of variable strength. Since the magnetic sector mass spectrometer produces a focused ion beam at the detector, the peak shape obtained is ‘flat-topped’ and uniform response is observed over a finite mass width. As the height of the peak is directly proportional to the number of ions striking the detector it is also directly proportional to the concentration of the component being measured. As long as the measurement is taken anywhere on the peak’s flat top, high precision analysis will be observed.</p><p>The Prima PRO MS’ ability to measure over a wide dynamic range is critically important if the varying composition levels in flare gas are to be measured accurately. The Prima PRO MS has been independently evaluated by EffecTech UK, an independent specialist company providing accredited calibration and testing services to the energy and power industries for gas quality, flow and total energy metering. It is accredited to internationally recognized ISO/IEC 17025:2005 standards; this specifies the general requirements for the competence to carry out tests and/ or calibrations, including sampling.</p><h4><strong>Summary&nbsp;</strong></h4><p>Magnetic sector MS, as evidenced by the Prima PRO process MS performance, provides fast, accurate on-line analysis of flare gas composition. The inherent power of magnetic sector mass spectrometry, combined with the flexibility of GasWorks software, enables one Prima PRO MS to monitor not only flare gas streams, but also multiple process streams. Root cause fault analysis is therefore greatly facilitated, by comparing the detailed composition data from the flare gas stream with that of the various process streams. As well as complete compositional analysis, Prima PRO MS provides accurate fuel gas properties, including LHV, HHV, density, specific gravity, Wobbe Index, stoichiometric air requirement and CARI. This ensures waste gases are burnt to complete combustion and unburned pollutants are not emitted from the flare.</p>

News from LabRulezGCMS Library - Week 12, 2026

<p><strong>The quality of drinking water is under closer scrutiny than ever before. Beyond microbiological safety and major chemical contaminants, trace-level organic compounds increasingly determine whether water is perceived as clean, safe, and acceptable by consumers. Among these substances, volatile organic compounds (VOCs) play a central role — both from a regulatory and a sensory perspective.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_VOC_Analysis_in_Drinking_Water_Achieving_ppt_Level_Sensitivity_with_ITEX_Dynamic_Headspace_GC_MS_b4de2f994a.jpg" alt="Thermo Fisher Scientific: VOC Analysis in Drinking Water: Achieving ppt-Level Sensitivity with ITEX Dynamic Headspace GC-MS" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_VOC_Analysis_in_Drinking_Water_Achieving_ppt_Level_Sensitivity_with_ITEX_Dynamic_Headspace_GC_MS_b4de2f994a.jpg 245w," sizes="100vw" width="1024" height="512"></p><p>Modern analytical laboratories face a dual challenge: complying with stringent legal requirements while simultaneously detecting compounds that are noticeable by humans at concentrations far below established health-based limits. This is particularly true for odor-active VOCs, where customer complaints may arise even when water is fully compliant.</p><h3><strong>What are VOCs — and why are they so challenging?</strong></h3><p>VOCs are a heterogeneous group of compounds defined primarily by their physical properties rather than their chemical structure. They typically exhibit:</p><ul><li>Low molecular weight</li><li>Relatively low boiling points (approximately 50–260 °C)</li><li>High vapor pressure</li><li>Low to moderate solubility in water</li></ul><p>This group includes substances such as <strong>light halogenated hydrocarbons (LHKW)</strong>, <strong>aromatic hydrocarbons (BTEX)</strong>, and <strong>trihalomethanes (THMs)</strong>, many of which are regulated in drinking water due to toxicological concerns or their role as disinfection by-products from an analytical standpoint, these same properties make VOCs difficult to quantify at ultra-trace levels. Losses during sample handling, insufficient enrichment, and water interference can all limit sensitivity — especially when target concentrations are in the low µg/L or ng/L range.</p><h3><strong>Regulatory pressure drives method sensitivity</strong></h3><p>European drinking water legislation defines not only maximum allowable concentrations but also strict performance criteria for analytical methods. <a target="_blank" rel="noopener noreferrer" href="https://eur-lex.europa.eu/eli/dir/2009/90/oj/eng?utm_source=chatgpt.com"><strong>Directive 2009/90/EC</strong></a> requires limits of quantification to be no higher than <strong>30% of the applicable environmental quality standard</strong>. For many VOCs, this translates directly into <strong>ppt-level analytical requirements</strong>.</p><p>As a result, laboratories must rely on techniques that go beyond conventional workflows while still maintaining robustness, reproducibility, and ease of use.</p><h3><strong>Headspace GC-MS: established — but not always sufficient</strong></h3><p>Headspace GC-MS remains a cornerstone of VOC analysis in water. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/64"><strong>Static headspace</strong></a><strong> (SHS)</strong> methods are widely used due to their simplicity, cleanliness, and compatibility with routine laboratories. However, SHS relies on a single equilibrium extraction of the gas phase, which can limit sensitivity — particularly for very volatile compounds or analytes present at trace concentrations.</p><p>For these applications, additional enrichment steps are often required.</p><h3><strong>ITEX dynamic headspace: turning sampling into enrichment</strong></h3><p><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/order/catalog/product/1R77010-1125"><strong>ITEX (In-Tube Extraction) Dynamic Headspace</strong></a> bridges the gap between simplicity and sensitivity. Unlike static headspace, ITEX repeatedly draws defined volumes of headspace gas through an adsorbent trap, actively enriching analytes before injection into the GC system.</p><p><strong>This dynamic approach offers several decisive advantages:</strong></p><ul><li>True analyte enrichment directly from the headspace</li><li>Solvent-free sample preparation</li><li>Reduced risk of contamination and carryover due to a closed, syringe-based design</li><li>Straightforward maintenance with easy access to trap and syringe components</li></ul><p>By passing the headspace through the trap multiple times, ITEX effectively increases the sampled analyte mass without increasing sample volume — a key advantage for ppt-level analysis.</p><h3><strong>Tailored adsorbents for targeted performance</strong></h3><p><strong>ITEX performance can be optimized through the selection of appropriate adsorbent materials:</strong></p><ul><li><strong>Tenax TA</strong> for volatile and semi-volatile compounds</li><li><strong>Carbopack</strong> for hydrophobic analytes with minimized water displacement</li><li><strong>Carboxen and Carbosieve materials</strong> for very volatile compounds such as vinyl chloride</li></ul><p>This flexibility allows laboratories to adapt ITEX methods to a wide range of drinking water applications, from regulatory VOC panels to specialized odor investigations.</p><h3><strong>Managing water — without compromising sensitivity</strong></h3><p>Water is often the hidden enemy of trace VOC analysis. In ITEX, excess water can be efficiently removed by purging the trap with inert gas at low temperature before thermal desorption. The trap itself can then be heated to temperatures of up to <strong>350 °C</strong>, ensuring complete desorption of analytes while maintaining excellent repeatability.</p><p>Carryover testing demonstrated values of ≤0.027% for all analytes, even without blank subtraction — a critical requirement for trace analysis in regulated environments.</p><h3><strong>Chromatographic focusing for very volatile compounds</strong></h3><p>Highly volatile VOCs remain chromatographically challenging, even after enrichment. Combining ITEX with <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/chromatography/gas-chromatography-gc/gc-systems/modules.html"><strong>PTV injection</strong></a><strong> and dedicated focusing liners</strong> significantly improves peak shape and signal-to-noise ratio. This double-focusing approach is especially effective for compounds such as vinyl chloride and other light halogenated hydrocarbons. When paired with <strong>SIM acquisition in </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484"><strong>GC-MS</strong></a>, the result is robust, sensitive, and selective detection across a broad VOC range.</p><h3><strong>Taste and odor: why ppt really matters</strong></h3><p>One of the most demanding applications in drinking water analysis is the detection of odor-active compounds such as <strong>geosmin</strong>. Produced naturally by cyanobacteria and actinomycetes, geosmin causes an earthy, musty taste and odor that consumers can detect at concentrations as low as <strong>5–10 ng/L</strong>.</p><p>Although geosmin poses no health risk, even trace levels can trigger complaints and damage public trust. ITEX Dynamic Headspace GC-MS enables reliable detection well below the sensory threshold, supporting proactive water quality management rather than reactive troubleshooting.</p><h3><strong>Automation and flexibility for the modern laboratory</strong></h3><p>Drinking water laboratories often analyze a wide range of sample types and concentration levels. Automated platforms such as the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/422"><strong>TriPlus RSH SMART</strong></a><strong> autosampler</strong> support multiple injection and sampling techniques — including liquid injection, static headspace, SPME, and ITEX — with automatic tool change functionality.</p><p>Intelligent sequence control and consumable monitoring help laboratories maximize productivity while maintaining consistent analytical performance.</p><h3><strong>Conclusion: a future-proof approach to VOC analysis</strong></h3><p>ITEX Dynamic Headspace has proven to be a powerful and versatile alternative to purge-and-trap for the analysis of VOCs in drinking water. Its ability to deliver <strong>ppt-level sensitivity</strong>, combined with operational simplicity and excellent robustness, makes it ideally suited for both regulatory compliance and advanced odor analysis.</p><p>When integrated with PTV injection and SIM-based GC-MS detection, ITEX-DHS supports reliable quantification of even the most challenging VOCs — helping laboratories meet today’s requirements while preparing for tomorrow’s expectations</p><p><strong>Call to action</strong>:</p><p>To learn more about this interesting technology in a FREE webinar, register here:</p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://event.on24.com/wcc/r/5250532/C85F8F6AC85928EE5DB65E38D3C9B23F"><strong>April 23-Trinkwasserübewachung mit der ITEX</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://event.on24.com/wcc/r/5250534/258DDD452DE6AAA5FDEB0E72CBF70889"><strong>June 11th VOC Analytik in Trinkwasser mittels Headspace GC-MS und ITEX</strong></a></li></ul><h3><strong>Acknowledgement</strong></h3><p>I would like to thank <strong>Dr. Klaus Schrickel</strong>, Thermo Fisher Scientific Dreieich, Germany, for the contribution to this blog.</p><ul><li><strong>Visit us on&nbsp;</strong><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/"><strong><u>LinkedIn:</u></strong></a>&nbsp;#GC #GC/MS # ITEX #Headspace</li></ul><blockquote><h5><strong>Petra Gerhards</strong></h5><p>Petra Gerhards, Dipl-Ing, is Regional Marketing Manager of GC and GC-MS for EMEA at Thermo Fisher Scientific. She has more than 29 years of experience in the fields of GC-MS, SPE and LC-MS. Since joining the regional team she has contributed to workflow solutions combining vials and closures with SPE solutions, GC-MS and LC-MS. She works with KOL's on data for regional specific marketing campaigns, organizes in-house seminars and works on customer specific solutions. Her main expertise is in the field of doping and drugs-of-abuse analysis.</p></blockquote>

VOC Analysis in Drinking Water: Achieving ppt-Level Sensitivity with ITEX Dynamic Headspace GC-MS

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 23rd March 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 application notes by <strong>Agilent Technologies, Shimadzu, </strong>and<strong> Thermo Fisher Scientific </strong>and presentation by<strong> MDCW / Mount Royal University!</strong></p><h3><strong>1. Agilent Technologies: Analysis of Epichlorohydrin in Drinking Water</strong></h3><p><strong>Using the Tekmar Atomx XYZ P&amp;T, </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890 GC</strong></a><strong>, and </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977C"><strong>Agilent 5977C GC/MSD</strong></a></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_epichlorohydrin_analysis_drinking_water_5994_8787en_agilent_9708db9a54.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The Tekmar Atomx XYZ is Teledyne LABS' most advanced P&amp;T system and is based on the time-tested Atomx instrument platform. The concentrator's efficient trap cooling design reduces sample cycle time by as much as 14% over the previous model. Combined with its 84-position soil and water autosampler, the result is more samples tested per 12-hour period. An innovative moisture control system (MCS) improves water vapor removal, thereby reducing peak interference and increasing GC column life span. In addition to other refinements, the Atomx XYZ incorporates a precision-machined valve manifold block to reduce potential leak sources and ensure the system is both reliable and robust.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>This study demonstrates the capability of the Teledyne LABS Tekmar Atomx XYZ P&amp;T concentrator to process low‑level ECH in drinking water samples, with detection performed using an Agilent&nbsp;8890 GC and Agilent 5977C GC/MSD. The linearity of the calibration curve from 10 to 500&nbsp;ppt passed method requirements, including verification of the initial calibration curve. The 10&nbsp;ppt standard passed the lower limit of quantitation (LLOQ) within ± 50% of its true value, while all other calibration levels (&gt; LLOQ) passed within ± 30%. The blank following the highest point in the calibration curve passed method carryover requirements by remaining below half pf the LLOQ. Furthermore, the application proved robust during a long‑term study with 40 samples of a 30&nbsp;ppt ECH standard, achieving 4.3% precision and 92% accuracy of the&nbsp;recovery.</p><h3><strong>2. MDCW / Mount Royal University: Selection, Optimization, and Validation of Thermal Desorption for analysis of VOCs and PAHs in Combustion Emissions</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_21_Marx_a94d951603.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The study focused on optimizing and validating thermal desorption (TD) as a sampling technique for volatile organic compounds (VOCs) and polycyclic aromatic hydrocarbons (PAHs) generated during combustion emissions, particularly from wildland fires. Smoke from these fires contains chemically complex mixtures of pollutants that can persist in the atmosphere and impact air quality over large geographic regions. Traditional sampling methods often emphasize particulate-bound compounds, while gas-phase organics—critical for understanding secondary organic aerosol formation—may be underrepresented. Thermal desorption was evaluated as a modern alternative capable of capturing both gas- and particle-phase compounds.</p><p>To determine optimal sampling conditions, multiple sorbent tube configurations were compared using a mixture of 41 standard VOC and PAH compounds across various concentration levels. Performance metrics included analyte recovery, linearity, and detection limits. The results showed that multibed sorbent tubes significantly expanded analyte coverage and improved retention of combustion-related species. Additionally, factorial studies investigating conditioning and desorption parameters revealed that reducing temperature or duration did not improve artefact removal or analyte recovery, highlighting the importance of robust standardized conditions.</p><p>The methodology was further evaluated through storage stability trials and real smoke emission sampling experiments. Samples demonstrated stable analyte retention for up to 35 days, supporting the suitability of TD sampling for field studies requiring delayed analysis. Validation experiments involving combustion of white spruce and analysis by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=6&amp;search=unity-xr"><strong>TD</strong></a>-GC×GC-ToFMS produced highly detailed chromatographic data, identifying over 1 600 peaks per sample. Approximately 78 % of detected compounds fell within the C6–C14 range, while 19 of the 41 target analytes—including all PAHs and BTEX species—were successfully identified.</p><p>Overall, the study confirmed that thermal desorption combined with comprehensive two-dimensional gas chromatography offers a powerful approach for characterizing complex combustion emissions. The optimized multibed sorbent strategy and validated sampling workflow enable more accurate profiling of smoke-derived VOCs and PAHs, providing valuable insights into air quality impacts and atmospheric chemistry processes associated with large-scale wildfires.</p><h3><strong>3. Shimadzu: Analysis of Base Material and Additives in Tire Rubber</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00901_en_7200aa4e86.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>With a split FPD(S) and MS detector system, sulfur compounds can be detected selectively and with high sensitivity by the FPD detector while being qualitatively analyzed simultaneously by the MS detector, which significantly reduces the time and effort required.</li><li>The LabSolutions GCMS system makes it easy to configure settings for complex detector splitting.</li><li>With evolved gas analysis, polymer materials can be inferred from thermogram average mass spectra.</li></ul><p>The rubber used in tires for automobiles, bicycles, and other types of tires needs to have high resistance to the weather, heat, and wear for long periods of use. But as the rubber wears, it mixes with mineral particles from the road to generate “tire and road wear particles” (TRWP). TRWP matter is known to be a type of microplastic that causes marine plastic pollution.&nbsp;</p><p>TRWP can contain a large variety of substances, such as vulcanizing accelerators, antioxidants (such as 6PPD), and plasticizers, and when released into the environment, TRWP substances can be harmful to ecosystems. Therefore, to reduce the quantity of TRWP matter released, it is important to increase the wear resistance of tires. To achieve this, an assessment of the base materials and additives in rubber is essential. Among additives, vulcanizing accelerators in particular improve the physical properties of tires by promoting sulfur vulcanization reactions.&nbsp;</p><p>This article analyzes the base materials in tire rubber and additives, such as vulcanizing accelerators and other sulfur components.</p><h4><strong>Analysis Process Flow</strong></h4><p>A pyrolysis gas chromatograph mass spectrometer (Py-GC-MS) system was used, as specified in the international standard ISO/TS 21396. <sup>1) </sup>Simply placing cut-up samples in a sample cup (Fig. 1) enables direct analysis of samples without pretreatment. The analytical process flow isindicated in Fig. 2.</p><ul><li><strong>Pyrolyzer Unit:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=42&amp;search=EGA%2FPY-3030D"><strong>EGA/PY-3030D</strong></a> Multi-Shot Pyrolyzer AS-1020E Auto-Shot Sampler (Frontier Laboratories Ltd.)</li><li><strong>GC-MS: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2020+NX"><strong>GCMS-QP2020 NX</strong></a></li></ul><h4><strong>Inferring Polymers</strong></h4><p>The evolved gas analysis (EGA-MS) method uses pyrolyzer (Py) and mass spectrometer (MS) units linked via a deactivated metal tube to heat samples to continuously increasing temperatures to generate gases from the samples, which are then detected by the MS.&nbsp;</p><p>Samples (0.2 mg) of tire rubber fragments were placed in sample cups, with fiberglass wool inserted to prevent them from dropping, and then analyzed. Analysis conditions are indicated in Table 1.&nbsp;</p><p>Thermograms obtained from that analysis are shown in Fig. 5. Originally, the horizontal axis of the thermogram is the time, but the heating temperature of the pyrolyzer can be calculated from the time. Peaks from polymer thermal decomposition products appear across the range of 370 to 500 °C. The average MS spectrum for that peak range and the results from inferring the polymer are shown in Fig. 6. Based on the F-Search EGA-MS Polymer Library (Frontier Laboratories Ltd.), the base material in the tire rubber was inferred to be styrene-butadiene rubber (SBR).&nbsp;</p><p>Enlarging the thermogram shows a shoulder peak between 240 and 370 °C. Assuming that the shoulder peak originated from an additive, a thermal desorption analysis was carried out with the temperature range from 60 to 370 °C.</p><h4><strong>Conclusion</strong></h4><p>By combining FPD (S) that selectively and sensitively detects sulfur compounds, with Py-GC-MS, sulfur compounds in tire rubber were easily detected and simultaneously analyzed qualitatively by the MS.</p><h3><strong>4. Thermo Fisher Scientific: Natural Gas Analysis in Hazardous Locations Using Raman Spectroscopy and Chemometric Modeling</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/marqmetrix_all_in_one_x_process_raman_analyzer_an1350_en_0ba9fa1165.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Natural gas is a fossil fuel composed primarily of methane, with smaller amounts of other hydrocarbons and impurities. Formed from ancient marine organisms under heat and pressure, natural gas is used as a combustion source for heating, electricity generation, vehicle fuel, and as a feedstock in chemical production. It is considered to be a cleanerburning alternative to other fossil fuels, contributing to reduced greenhouse gas emissions and air pollutants.&nbsp;</p><p>The measurement and analysis of natural gas is a vital process that demands both speed and precision. Accurate natural gas measurements have far-reaching implications. They ensure revenue accuracy and facilitate fair financial transactions between producers, which is crucial for the economic integrity of the industry. Additionally, these measurements are essential for regulatory compliance, as they ensure adherence to stringent government and industrial standards.&nbsp;</p><p>Operational efficiency of gas-using industries is also impacted by accurate natural gas measurement. By obtaining trustworthy and precise data, operators can optimize their processes, reduce waste, and ultimately enhance the overall efficiency of their operations. Furthermore, the measurement of natural gas plays a significant role in safety assurance and environmental protection. By accurately measuring methane content and detecting any irregularities in the natural gas stream, operators can address potential safety hazards and mitigate environmental issues, thereby promoting safer and more sustainable practices within the industry.&nbsp;</p><p>Raman spectroscopy is an exceptionally powerful tool that can effectively address the myriad challenges associated with natural gas measurements. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2208"><strong>MarqMetrix All-In-One X Process Raman Analyzer</strong></a>, when equipped with a flow cell or an immersion probe, offers the capability for non-invasive, in-situ measurements of natural gas directly within pipelines or process equipment. This innovative approach eliminates the need for traditional sampling systems or loops, thereby significantly reducing both the cost and operational disruptions typically associated with gas sampling.&nbsp;</p><p>The versatility of the MarqMetrix All-In-One X analyzer is underscored by its ability to operate reliably across a wide range of conditions, performing consistently under varying temperature and pressure regimes. Moreover, the hazardous location configuration enhances the instrument’s capabilities even further, enabling the analyzer to function safely and effectively in some of the harshest and most hazardous operating environments. This robust configuration ensures that accurate and reliable natural gas measurements can be obtained even in extreme conditions, providing a critical tool for maintaining operational efficiency, safety, and regulatory&nbsp;compliance.</p><h4><strong>Results&nbsp;</strong></h4><p>The spectra produced, along with the reference data obtained from the certificates of analysis accompanying the gas cylinders, were imported into SOLO software. Using this dataset, Partial Least Squares (PLS) regression models were constructed for each of the hydrocarbons present in the natural gas standards. The models underwent rigorous optimization processes, focusing on variable selection, determination of latent variables, and appropriate preprocessing techniques.&nbsp;</p><p>Variable selection emerged as a crucial step in the modeling process due to the significant covariance observed among the different hydrocarbons within the natural gas standards. By carefully selecting specific regions of the spectra that correspond exclusively to the hydrocarbons of interest in each model, the independence and relevance of the information utilized in the model were significantly enhanced. This careful selection process ensures that the PLS regression models are robust and accurate, leading to more reliable predictions and analyses of the hydrocarbon content in the natural gas&nbsp;samples.&nbsp;</p><p>Given the lower concentration and relatively lower intensities of the butane and pentane peaks, a wider range of variables were selected to build the models.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>In conclusion, the MarqMetrix All-In-One X Process Raman Analyzer along with a Thermo Scientific™ MarqMetrix™ FlowCell™ Sampling Optic, both developed to be operated in ATEX Zone 0, proved to be a highly effective solution for collecting and analyzing the spectra of natural gas standards. The resulting data produced robust PLS regression models for each hydrocarbon component. Careful variable selection and optimization enhanced the independence and relevance of the models, resulting in accurate and reliable predictions. The performance of these models demonstrated excellent linearity, resolution, and sensitivity across the range of natural gas components. This study underscores the viability and applicability of Raman spectroscopy, coupled with advanced chemometric modeling, for precise and reliable natural gas analysis in hazardous&nbsp;environments.</p>

News from LabRulezGCMS Library - Week 13, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 30th March 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 application notes by <strong>Agilent Technologies, Thermo Fisher Scientific, </strong>brochure by<strong> Shimadzu </strong>and presentation by<strong> MDCW / LECO!</strong></p><h3><strong>1. Agilent Technologies: Extraction and Analysis of Pesticides from Water by Solid Phase Extraction and GC/MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_extraction_analysis_pesticides_water_gcms_5994_8996en_agilent_28fc35d0e7.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Drinking water is defined as water intended for human consumption obtained from different sources. Several guidelines/regulations exist for ensuring that undesirable substances such as pesticides are not present in excessive amounts that may be harmful to human health. These regulations ensure that water intended for human consumption can be consumed safely. In India, the Bureau of Indian Standards (BIS) has set regulatory limits for residual pesticides in drinking water (IS 10500)<sup>1</sup> , packaged drinking water (IS 14543)<sup>2</sup> , and natural mineral water (IS 13428).<sup>3</sup> A total of 26 pesticides are regulated by BIS standards, of which four compounds (monocrotophos, phorate, 2,4-D, and isoproturon) are more suitable for analysis by liquid chromatography.&nbsp;</p><p>EPA Method 525.2 is a general-purpose method for determination of organic compounds in finished drinking water or water from any source or treatment stage.<sup>4</sup> This method is applicable to a range of organic compounds that are partitioned from the water sample onto a C18 organic phase packed in a disk or cartridge. The organic compounds are then eluted using a suitable eluent, concentrated, and analyzed by GC/MS.&nbsp;</p><p>This application note describes the use of EPA Method 525.2 for extraction of pesticide residues at trace levels in water using solid-phase extraction (Agilent Bond Elut C18: Straight barrel cartridges, p/n 12102118) and analysis using Agilent 8890-5977 GC/MS.&nbsp;</p><p>Excellent linearity with R2 &gt; 0.995 was obtained for all pesticides considered for the study. Recoveries were obtained in the range of 80–120% with associated RSDs &lt; 15% at 0.005–0.080 ng/mL level of fortification.</p><h4><strong>Experimental</strong></h4><h5><strong>Instrument parameters</strong></h5><ul><li><strong>GC:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890"><strong>Agilent 8890</strong></a></li><li><strong>Column:</strong> Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=J%26W+HP-5ms"><strong>J&amp;W HP-5ms</strong></a> UI 30 m × 0.25 mm, 0.25 μm&nbsp;</li><li><strong>Carrier Gas:</strong> Helium, constant flow, 1.2 mL/min&nbsp;</li><li><strong>Inlet:</strong> Agilent Multimode Inlet (MMI)</li><li><strong>MS:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5977"><strong>5977 GC/MS</strong></a></li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>A simple, easy, and efficient method based on EPA 525.2 was implemented for the determination of 22 pesticides in water. The method demonstrated good sensitivity, precision, and accuracy, and allows for rapid analysis. The results demonstrate that pesticide residues can be detected below the current maximum residue levels (MRL) required by the BIS specifications. Acceptable recoveries and precision were obtained at concentrations as low as 5 ng/L for all pesticides. The method is ideally suited for use in a regulatory laboratory for the determination of pesticides in surface, drinking, and packaged drinking water.</p><h3><strong>2. MDCW / LECO: Exploring PFAS in Consumer Goods Using GCxGC and High-Resolution Mass Spectrometry</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_3_Alonso_6f61e3ea43.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Per- and polyfluoroalkyl substances (PFAS) are widely used in consumer and industrial products due to their unique physicochemical properties, but their persistence and potential health risks have made their detection increasingly important. This study focuses on developing an untargeted analytical approach for screening PFAS and related compounds in consumer goods using advanced chromatographic and mass spectrometric techniques.</p><p>The analytical workflow combines gas chromatography with time-of-flight mass spectrometry (GC-TOFMS) and comprehensive two-dimensional gas chromatography coupled with high-resolution TOFMS (GC×GC-HRTOFMS), using systems such as the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1097"><strong>LECO Pegasus® BTX</strong> </a>and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/38"><strong>Pegasus® HRT+</strong></a> platforms. Sample introduction is performed via thermal desorption or pyrolysis, enabling analysis of both volatile and complex matrices. High-resolution MS provides accurate mass measurements and elemental composition, which are essential for identifying unknown compounds and reducing matrix interferences.</p><p>In the first case study, anti-fog solutions were analyzed and found to contain a wide range of compounds, including fluorotelomer alcohols and related PFAS species. While GC-TOFMS enabled initial screening, high-resolution TOFMS was necessary to characterize unknown compounds through accurate mass determination and complementary ionization techniques (EI and PCI). This approach allowed tentative structural assignment using external databases, demonstrating the importance of HRMS in identifying compounds not present in standard libraries.</p><p>The second case study focused on chewing gum, a highly complex matrix with diverse chemical constituents and trace-level analytes. The use of GC×GC-HRTOFMS significantly improved chromatographic separation and spectral clarity, enabling detailed profiling of volatile and semi-volatile compounds. A dedicated PFAS screening workflow based on mass defect analysis and spectral filtering was applied, leveraging the characteristic CF₂ patterns of PFAS molecules to simplify data interpretation.</p><p>Despite the complexity of the sample, no PFAS were detected in the chewing gum, its packaging, or the box. Overall, the study demonstrates that combining GC×GC separation, high-resolution mass spectrometry, and advanced data processing tools provides a powerful and reliable strategy for untargeted PFAS screening in complex consumer products, particularly when unknown or emerging contaminants are of concern.</p><h3><strong>3. Shimadzu: Gas Chromatograph Nexis GC-2060</strong></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c184_e056_06c3456516.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexis+GC-2060"><strong>Nexis GC-2060</strong></a> represents a new generation of gas chromatographs, built on over 70 years of GC development and designed to serve as a flexible and future-proof analytical platform. It integrates the concept of <i>Analytical Intelligence</i>, which enables automated system monitoring, troubleshooting, and optimization, helping both experienced and less experienced users achieve reliable and consistent results. The system is highly configurable, supporting up to two injectors, three injection units, and four detectors simultaneously, allowing a single instrument to cover multiple analytical applications.</p><p>A key advantage of the Nexis GC-2060 is its versatility in sample introduction and detection. The Multi-Mode Injection Unit (MMI) supports a wide range of injection techniques, including split/splitless, PTV, direct injection, large-volume injection (LVI), and thermal desorption, significantly reducing the need for complex sample preparation. The system is also equipped with next-generation detectors such as FID and TCD, offering high sensitivity, stability, and linearity, with additional detector options (ECD, FPD, FTD, BID) enabling broad application coverage.</p><p>The instrument is designed to maximize laboratory efficiency and minimize downtime. Features such as tool-free column installation (ClickTek), automated startup/shutdown, Easy sTop maintenance mode, and Clean Pilot for automated column conditioning simplify routine operation and reduce manual intervention. In addition, Eco Idling technology automatically optimizes gas and power consumption during standby, significantly lowering operational costs while maintaining readiness for analysis.</p><p>From an analytical performance perspective, the Nexis GC-2060 delivers excellent reproducibility and sensitivity, supported by advanced autosamplers (e.g., AOC-30) and compatibility with third-party systems. The platform supports hydrogen carrier gas for faster analysis and includes smart gas management features such as automatic gas switching. Its modular design allows seamless integration with various sample preparation systems, autosamplers, and detectors, ensuring adaptability to evolving laboratory needs.</p><p>Overall, the Nexis GC-2060 combines high performance, operational efficiency, and flexibility in a single platform, making it suitable for a wide range of applications, including pharmaceutical analysis, environmental testing, food analysis, and energy-related measurements. Its scalability and continuous software updates ensure long-term usability and alignment with future analytical requirements.</p><h3><strong>4. Thermo Fisher Scientific: Accurate multi-component blast furnace gas analysis maximizes iron production and minimizes coke consumption</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/epm_AN_Iron_Production_Prima_PRO_bd5de98b44.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Over a billion tonnes of iron a year are produced in blast furnaces, representing around 94% of global iron production¹. The blast furnace consists of a large steel stack, lined with refractory brick. Iron ore, coke and limestone are dropped into the top of the furnace and preheated air blown into the bottom through nozzles called ‘Tuyeres’. Iron oxides are reduced in the melting zone, or ‘Bosh’, forming liquid iron (called ‘hot metal’) and liquid slag. These liquid products are drained from the furnace at regular intervals, and the blast furnace will run continuously for several years, until the refractory lining needs replacing.</p><p>Analysis of carbon monoxide (CO) and carbon dioxide (CO₂) give vital information on the efficiency of the reduction processes. Historically, two non-dispersive infrared (NDIR) analyzers were used, one to measure CO, the other CO₂. Additional discrete analyzers were required to monitor oxygen and hydrogen – typically paramagnetic O₂ analyzers and thermal conductivity analyzers for H₂.&nbsp;</p><p>Thermo Scientific™ process mass spectrometers have been widely used for many years for key gas analysis applications in iron and steel plants, including blast furnace, basic oxygen steelmaking, coke oven gas analysis, secondary steel process control, fuel gas analysis and direct reduction iron processes²</p><h4><strong>Process control requirements&nbsp;</strong></h4><p>The advantages of process MS over conventional analysis techniques have been proven over many years in the iron and steel industry. The ability to measure a wide range of components on a single analyzer, coupled with advanced calibration, data transmission, and self-diagnostic software, makes the modern mass spectrometer ideal for integration into the modern plant. On blast furnaces, superior gas analysis is being used to calculate gas efficiency, mass and heat balances, and heat profiles through probe analysis, as well as being an essential tool in the early detection of cooling water leaks and sample system failures.&nbsp;</p><p>Figure 2 shows 64 hours of data from a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2305"><strong>Thermo Scientific™ Prima™ PRO Process MS</strong></a> monitoring the six gases in a blast furnace top gas every 10 seconds. The pulse every 12 hours is generated by an automatic nitrogen blowback from the sample conditioning system, to keep the sample probe clear of particulates.</p><h4><strong>Hydrogen analysis&nbsp;</strong></h4><p>An increase in the hydrogen level in the furnace can indicate a leak from the furnace cooling system, as water dissociates into hydrogen and oxygen in the furnace. This has implications both for plant efficiency and plant safety. Water leaks will lower the furnace temperature, causing heat loss and a consequent increase in fuel consumption. In extreme cases, damage to plant and personnel can be caused by ignition of these hazardous mixtures of explosive gases.&nbsp;</p><p>Figure 4 shows a plot of top gas hydrogen concentration measured by Thermo Scientific process MS over a 24-hour period, with the departure of the measured H2 value from that predicted by the mass balance model indicating a water leak. This leak was caused by the failure of a cooling member, and the furnace was taken off blast for repair. The mass spectrometer’s ability to provide fast, accurate hydrogen analysis removes the need for an additional discrete analyzer.&nbsp;</p><p>Gas composition measurement is particularly important during the end-of-campaign blowdown that takes place prior to rebuilds and relines, because explosive gas mixtures can be generated.&nbsp;</p><h4><strong>Probe analysis&nbsp;</strong></h4><p>The fast analysis provided by MS offers another significant advantage over discrete analyzers—a number of process streams can be analyzed using a single instrument. This is achieved using a fully automated multi-inlet system, designed to switch between sample streams at high speeds with minimal sample flushing times. For example, as well as furnace top gas, the MS can also analyze gases from probes placed above and below the burden (the furnace charge of iron ore, coke and limestone). These are known as above-burden and sub-burden probes and provide valuable information on fuel efficiency, iron conversion and furnace charging. Figure 5 shows a schematic of these two probes; they can be moved across the furnace to build a cross-sectional profile of the furnace.</p><h4><strong>Summary&nbsp;</strong></h4><p>Thermo Scientific process mass spectrometers have been successfully monitoring blast furnace off gas at many of the world’s iron and steel companies for over 30 years. For a blast furnace producing 5,000 tonnes a day, a reduction in coke consumption of just 10 kg per tonne of iron produced provides a payback of over $10,000 a day. Users report that the combination of fast, accurate MS gas analysis for gas efficiency, heat and mass balances and hydrogen analysis, with advanced process control and mathematical modeling, has reduced coke consumption by up to 100 kg per tonne and increased iron production. Upgrading to Prima PRO MS can therefore result in complete installation payback within a few weeks.&nbsp;</p><ul><li>Reduces coke consumption&nbsp;</li><li>Produces consistent quality iron&nbsp;</li><li>Reduces downstream processing costs&nbsp;</li><li>Detects water leaks fast&nbsp;</li><li>Improves thermal control of furnace&nbsp;</li><li>Enables safer operation during blowdown</li></ul>

News from LabRulezGCMS Library - Week 14, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 6th April 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 application notes by <strong>Agilent Technologies, BaySpec, </strong>poster by <strong>MDCW / William &amp; Mary </strong>and<strong> </strong>brochure by<strong> Shimadzu!</strong></p><h3><strong>1. Agilent Technologies: High-Throughput BTEX Analysis in Nail Products by SPME and GC/TQ</strong></h3><p><strong>Minimal steps, maximum precision</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_btex_analysis_nail_products_spme_gctq_5994_9009en_agilent_24ef32dd13.pdf"><strong>Full PDF for download</strong></a></li></ul><p>BTEX compounds—benzene, toluene, ethylbenzene, and xylenes—are volatile aromatic hydrocarbons widely used as solvents in industrial and consumer products. Among these, toluene is the most prevalent in nail polish formulations, where it serves as a solvent to dissolve resins and pigments, ensuring smooth application, uniform color dispersion, and rapid drying. Historically, these properties made toluene a preferred ingredient in nail coatings, including traditional polishes, gel formulations, and nail art products. However, its inclusion presents challenges for regulatory compliance and product reformulation. In response to these challenges, the California Department of Toxic Substances Control (DTSC) has listed nail products containing toluene as Priority Products under the Safer Consumer Products Regulations.1 Manufacturers selling such products in California must submit a Priority Product Notification and conduct an Alternative Analysis if toluene concentrations exceed the 100-ppm threshold.&nbsp;</p><p>To support compliance and ensure accurate monitoring of BTEX levels in nail products, robust analytical methods are essential. Solid phase microextraction (SPME) coupled with gas chromatography/triple quadrupole mass spectrometry (GC/TQ) has emerged as a preferred approach for volatile organic compound analysis due to its solvent-free sample preparation, high sensitivity, and compatibility with complex cosmetic matrices. The 8890 GC with 7000 Series GC/TQ offers enhanced detection capabilities through dynamic multiple reaction monitoring (dMRM), enabling precise quantification of BTEX compounds at trace levels, below regulatory thresholds. This platform provides the analytical rigor required for method validation, including limits of detection, recovery, and precision, ensuring compliance with California's stringent performance criteria and supporting industry efforts toward improving consumer product&nbsp;quality.&nbsp;</p><h4><strong>Experimental</strong></h4><h5><strong>GC/TQ analysis&nbsp;</strong></h5><p>Analyses were performed on an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC"><strong>8890 GC</strong></a> coupled to a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7000"><strong>7000 Series GC/TQ </strong></a>equipped with an EI extractor ion source (Figure 2). The instrument operating parameters are listed in Table 2. The system was operated in splitless mode with an inlet temperature of 200&nbsp;°C, a purge flow of 3 mL/min, and a purge flow to split vent of 50&nbsp;mL/min at 2&nbsp;minutes. Carrier gas was helium at a constant flow of 0.693&nbsp;mL/min with a total flow of 53.7 mL/min. The chromatographic separation was accomplished on an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=DB-624+Ultra+Inert+column"><strong>Agilent J&amp;W DB-624 Ultra Inert column</strong></a> (20&nbsp;m × 0.18&nbsp;mm, 1&nbsp;µm, part number 121-1324UI). The oven program started at 40&nbsp;°C (hold 2&nbsp;minutes), ramped at 35&nbsp;°C/min to 160&nbsp;°C, and held for 2.58&nbsp;minutes, giving a total run time of 8.0&nbsp;minutes. The transfer line was maintained at 230&nbsp;°C, with the ion source at 230&nbsp;°C and quadrupoles at 150&nbsp;°C.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>A rapid, high-throughput headspace‑SPME GC/TQ method was developed for quantifying BTEX in nail product matrices, using a 100-µm PDMS Agilent Smart SPME fiber on an Agilent 8890 GC with Agilent 7000 Series GC/TQ. The method provides solvent-free extraction, 8-minute chromatographic runs, and an ~11-minute total cycle time, enabling high-throughput analysis with robust selectivity in dMRM mode. Quality control results demonstrated mean recoveries of 100 to 107% with RSDs ≤ 8%, meeting method acceptance criteria for compliance-focused testing for toluene. Integration of Smart SPME automation and the intelligent features of the 8890 GC and 7000 Series GC/TQ allows a practical, defensible solution for routine laboratories monitoring BTEX in nail products. Calibration performance showed high linearity and low variance across the working ranges, with all compounds meeting initial calibration criteria via R² ≥ 0.995 or average RF RSD ≤ 20%. Combined with the short cycle time and automated fiber tracking, this workflow is ideally suited for routine compliance testing of BTEX in nail products using the 8890 GC and 7000&nbsp;Series GC/TQ.</p><h3><strong>2. BaySpec: Detection of residual pesticides on fruits and vegetables using Portability miniature mass s pectrometer</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Bay_Spec_App_Note_Portability_Pesticides_4a7311fb3e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Pesticides are used in a variety of different ways during the production of food. Ranging from preventing crop damage by insects, rodents and molds during growth to prolonging storage of food after harvest. Because of the frequent usage, the residual pesticides are often found in many agricultural products and their monitoring and control is an important step in achieving and maintaining overall food safety in the modern society.&nbsp;</p><p>Mass spectrometry in connection with different separation techniques currently represents the main analytical approach for determination of residual pesticides in food. Traditionally, samples need to be collected and send to a laboratory for analysis using techniques such as GC-MS or HPLC-MS, which are costly and time-consuming. In addition, the conventional mass spectrometry usually requires laborious sample pretreatment, which does not allow for immediate in-situ sample determination. Presented here is an application of Thermal Desorption ElectroSpray Ionization (TD-ESI) for pesticide screening coupled to a portable mass spectrometer.&nbsp;</p><p>TD-ESI is a mass spectrometry technique from the family of ambient ionization methods that utilizes very simple probing of different surfaces with no or limited sample pretreatment while it is still noted for its selective and sensitive detection capabilities. In TD-ESI a solid surface or a liquid sample is touched by a simple metallic probe that absorbs the analyte. The probe is then inserted into a heated tube and the desorbed analyte is carried by gas flow into an orthogonally mounted electrospray. The electrospraty plume extracts the analyte and further ionization and ion introduction follows the conventional electrospray mechanism.&nbsp;</p><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2219"><strong>Bayspec’s Portability mass spectrometer</strong></a> is less than 10kg highly portable and battery operated linear ion trap mass spectrometer with atmospheric pressure inlet (API). When TD-ESI is combined with PortabilityTM then it is possible to perform fast in-field detection of analytes including residual pesticides, directly of the surfaces of fresh food products without any sample pre-treatment. Fast pesticide screening by Portability mass spectrometer can immediately disclose fake organic food products as well as to discover elevated levels of residual pesticides.&nbsp;</p><p>TD-ESI-MS was used to rapidly screen residual pesticides on the surfaces of different fruits and vegetables. Direct sampling probe was used to introduce analytes from surfaces of unprocessed samples. Due to short analysis times (1-5s a sample), the technique allows for fast screening for applications in food and environmental safety. MS (as well as MS/MS) analyses can be performed on surface-residual pesticides at ppm and sub-ppm levels. The miniaturized TD-ESI ion source compatible with Portability is available from BaySpec. This ion source mounts on the Portability front inlet and does not require any additional support, external power or gases. The simple intuitive software interface is operated by touch screen and makes the instrument extremely easy to control. The external TD-ESI source is fully integrated into the main software environment and the hyphenated system is thus very user-friendly, does not require excessive training and can be operated by persons with no previous mass spectrometry experiences.</p><h3><strong>3. MDCW / William &amp; Mary: Volatile Characterization of American Foulbrood Disease Using Comprehensive Two-Dimensional Gas Chromatography</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_15_Christensen_39521e3391.pdf"><strong>Full PDF for download</strong></a></li></ul><p>American foulbrood (AFB) is a deadly disease spread by Paenibacillus larvae bacterial spores, targeting the brood stage of Apis mellifera honey bees. Broods perish in a matter of days after exposure to the spores, forming infected colloidal scales in the hive that adult bees cannot remove. 1,2 The spores are extremely persistent and resistant to typical treatment methods, which standardized the immediate euthanasia of bees and destruction of the hive and associated equipment by burning. 3 In an effort to expedite identification of the spores, scent-detection dogs have been trained for use in apiaries. Furthermore, gammairradiation has been tested as a proposed treatment method as it would offer a nondestructive alternative to sterilization.</p><p>The goals of this study were to use comprehensive two-dimensional gas chromatography – time-of-flight mass spectrometry (GC×GC-TOFMS) to characterize the volatiles associated with AFB disease for understanding scent detection and to measure the effectiveness of gamma-irradiation in sterilizing these volatiles.</p><h4><strong>Methods</strong></h4><p>Samples included blanks, material from healthy comb, aged unsterilized diseased scales, fresh unsterilized diseased scales, and diseased scales sterilized with the proposed treatment method of gamma-irradiation. These samples were stored in headspace vials (Figure 3) in the freezer when not in use. No sample preparation was required before injection with solidphase microextraction using the LPAL-3 (CTC Analytics).</p><p>Analysis was performed using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/37"><strong>Pegasus BT4D</strong></a> (LECO Corporation) according to the parameters described below in Table 1. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41"><strong>ChromaTOF software</strong></a> (LECO Corporation) was used to analyze the chromatographic data. Preliminary identifications were assigned to peaks using a minimum signal to noise of 200 and a minimum stick count of 3.</p><h4><strong>Conclusions</strong></h4><p>GC×GC-TOFMS can be used to distinguish the volatile profiles of A. mellifera samples at different stages of infection with AFB disease. Future Directions for Research:&nbsp;</p><ul><li>Discrimination of volatiles specific to AFB from non-specific volatiles&nbsp;</li><li>Characterization of AFB-specific volatiles for scent-detection purposes&nbsp;</li><li>Measurement of gamma-irradiation sterilization success in removing AFB volatiles</li></ul><h3><strong>4. Shimadzu: Screening System for Phthalate Esters, Brominated Flame Retardants and Other Regulated Substances Py-Screener Ver.3</strong></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c146_e507_45f041b0d7.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Py-Screener"><strong>Py-Screener™ Ver. 3</strong></a> can screen for 7 types of phthalate esters and brominated flame retardants (PBBs, PBDEs), including substances regulated under the RoHS Directive. In addition, it can also test for PIP (3:1), which is regulated under the US TSCA (Toxic Substances Control Act), as well as UV-328, Dechlorane Plus (DP), and short-chain chlorinated paraffins (SCCPs) and medium-chain chlorinated paraffins (MCCPs), which are regulated under the Stockholm Convention (POPs Convention) on Persistent Organic Pollutants (POPs). These regulated compounds, thermally extracted from the sample by Pyrolysis-GC-MS (Py-GC-MS), are selectively detected and quantified. Py-Screener Ver. 3 consists of dedicated software for easy screening, special standard samples, and a sampling tool kit, making it simple to operate even for first-time users.</p><h5><strong>Shimadzu Corporation’s Solutions for Complying with International Hazardous Substance Regulations</strong></h5><p>When manufacturing and exporting products, it is necessary to comply with the chemical and hazardous substance regulations established by each country. Products contain many parts and use various materials and substances. Therefore, it is the manufacturer’s responsibility to manage the entire supply chain to ensure that harmful substances are not contained. Shimadzu Corporation provides analysis solutions that comply with these regulations.</p><h5><strong>Applicable Systems and Software</strong></h5><ul><li><strong>GC-MS: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2020+NX"><strong>GCMS-QP™2020 NX</strong></a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2020"><strong>GCMS-QP2020,</strong></a> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-QP2010+Ultra"><strong>GCMS-QP2010 Ultra</strong></a></li><li><strong>Pyrolyzer:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=42&amp;search=EGA%2FPY-3030D"><strong>EGA/PY-3030D</strong></a> multi-shot pyrolyzer</li><li><strong>Autosampler:</strong> AS-2020E, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=42&amp;search=AS-1020E"><strong>AS-1020E auto-shot sampler&nbsp;</strong></a></li><li><strong>GC-MS Workstation:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMSsolution"><strong>GCMSsolution</strong></a>™ (Ver. 4.60SP2 or later) + <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=LabSolutions+Insight"><strong>LabSolutions Insight</strong></a>™ (Ver. 5.0 or later)</li><li><strong>Py Workstation:</strong> EGA-PY3030 program (Ver. 1.54 or later)</li></ul>

News from LabRulezGCMS Library - Week 15, 2026

<p><strong>In analytical chemistry, there are moments when your instrument gives you an answer, and moments when it gives you a question. The difference often comes down to resolution.</strong></p><p>A compelling example can be found in the analysis of <strong>blue fenugreek (Trigonella caerulea)</strong>, a plant that is widely used as a spice in traditional foods. Interestingly, the fresh plant has almost no aroma, yet after drying and storage it develops a rich and complex bouquet. Understanding this transformation requires detailed insight into a highly dynamic mixture of volatile compounds.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Aromatic_profiling_using_GCMS_and_HRGCMS_5a89d505be.jpg" alt="Thermo Fisher Scientific: When Resolution Changes the Story: Single Quadrupole vs. HRAM GC-MS" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Aromatic_profiling_using_GCMS_and_HRGCMS_5a89d505be.jpg 234w," sizes="100vw" width="1280" height="853"></p><p>When researchers investigated this system using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484"><strong>GC-MS</strong></a>, they encountered exactly the kind of analytical ambiguity that many of us are familiar with. The sample contained a complex mixture of aldehydes and monoterpenoids, along with compounds that were not well described in existing databases.</p><p>At first glance, a single quadrupole GC-MS appears to be perfectly suited for this type of analysis. It is robust, widely available, and highly effective for routine workflows. It provides reproducible fragmentation patterns and enables reliable library matching. In many cases, this is entirely sufficient.</p><p>However, challenges arise when compounds share very similar fragmentation behavior. In the case of blue fenugreek, one particular signal could be interpreted in more than one way. The data were consistent with either dimethyl sulfide or a sulfine-type compound. Both possibilities made chemical sense, and both could be supported by the spectra obtained on a quadrupole system.</p><p>This situation illustrates a fundamental limitation of unit mass resolution. When two candidate structures produce nearly indistinguishable spectra, the instrument cannot decisively distinguish between them. The result is not an incorrect answer, but an incomplete one. You are left with a hypothesis rather than a conclusion.</p><p>The picture changes significantly when high-resolution accurate mass <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/473"><strong>(HRAM) GC-MS</strong></a> is introduced. Instruments such as Orbitrap-based systems provide exact mass measurements with very high accuracy. This allows the determination of elemental compositions and enables clear differentiation between compounds that differ only slightly in mass.</p><p>In the same example, HRAM analysis made it possible to distinguish between the competing structural hypotheses. What previously appeared ambiguous could now be resolved with confidence.</p><p>This improvement is not merely a technical detail. It has important consequences for how the data are interpreted. Correct compound identification directly affects our understanding of biochemical pathways, especially in systems where aroma compounds are formed during drying and storage. It also influences how we assign sensory properties, since even small structural differences can lead to significant changes in odor perception. Furthermore, when studying the dynamics of volatile compounds over time, precise identification becomes essential for tracking formation and degradation processes.</p><p>Despite these advantages, it would be misleading to suggest that HRAM GC-MS should replace single quadrupole systems in all cases. Single quadrupole instruments remain indispensable for routine analysis, targeted workflows, and situations where compounds are well known and thoroughly characterized. They offer a practical balance of performance, cost, and throughput.</p><p>The key distinction lies in the analytical question being asked. If the goal is to quantify known compounds in a reliable and efficient manner, a single quadrupole system is often entirely appropriate. If, however, the goal is to identify unknowns, resolve ambiguities, or explore complex and poorly understood systems, then high-resolution accurate mass becomes essential.</p><p>The study of blue fenugreek highlights a broader lesson. Natural products often present us with chemical complexity that challenges our assumptions and our tools. In such cases, ambiguity in the data is not a failure, but an indication that a deeper level of analysis is required.</p><p>Ultimately, resolution is more than just an instrument specification. It defines how confidently we can translate signals into knowledge.</p><h4><strong>Acknowledgement:</strong></h4><p>I would like to thank Dr. Thomas Stegemann, Lab Manager and group leader, Christian-Alberts-University, Kiel, for the contribution to this blog.</p><h4><strong>Call to action:</strong></h4><ul><li><strong>Watch webinar on demand:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6020"><strong>Aromatic profiling using GCMS and HRGCMS</strong></a></li><li><strong>Visit us on&nbsp;</strong><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/"><strong><u>LinkedIn:</u></strong></a>&nbsp;#GCMS #MassSpectrometry #HRAM #Orbitrap</li></ul><blockquote><h5><strong>Petra Gerhards</strong></h5><p>Regional Marketing Manager GC and GC/MS, EMEA, Thermo Fisher Scientific&nbsp;</p></blockquote>

When Resolution Changes the Story: Single Quadrupole vs. HRAM GC-MS

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 13th April 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 application notes by <strong>Agilent Technologies, BaySpec, </strong>and<strong> Shimadzu</strong> and<strong> </strong>presentation by <strong>MDCW / SepSolve!</strong></p><h3><strong>1. Agilent Technologies: Sensitive and Reproducible Determination of Nitrosamines by GC/MSD</strong></h3><p><strong>Analysis of seven nitrosamines using the </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977+GC%2FMSD"><strong>Agilent 5977 GC/MSD</strong></a><strong> in positive chemical ionization mode with ammonia</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_nitrosamines_5977_gc_ms_5994_9063en_agilent_acf455cd8e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Nitrosamines are a well known class of carcinogenic compounds that have been the subject of extensive scientific investigation and regulatory assessment for several decades.<sup>1</sup> In recent years, various regulatory authorities have established drinking water guidelines for N-nitrosodimethylamine (NDMA), a disinfection byproduct of water treatment processes.&nbsp;</p><p>In 2004, the US Environmental Protection Agency (EPA) published Method 521, a GC/MS-based method for the analysis of seven nitrosamines including NDMA in drinking water, supporting monitoring and regulatory programs.<sup>2</sup> In 2010, Health Canada proposed a maximum acceptable concentration for NDMA in drinking water of 40&nbsp;ng/L.<sup>3</sup> In the European Union (EU), several EU member states have introduced their own national limits for nitrosamines in drinking water. In Germany, for example, a concentration of 10&nbsp;ng/L will trigger the initiation of remedial actions to reduce the concentration of NDMA.<sup>4</sup>&nbsp;</p><p>This application note demonstrates the ability of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977+GC%2FMSD"><strong>Agilent&nbsp;5977 Series GC/MSD</strong></a> to enable linear and reproducible detection of the seven nitrosamines included in EPA Method&nbsp;521 using positive chemical ionization (PCI) with&nbsp;ammonia.&nbsp;</p><p>Chemical ionization (CI) is a soft ionization technique used in mass spectrometry that enhances molecular ion visibility through controlled ion–molecule reactions. In CI, a reagent gas is ionized first, and the resulting reagent ions subsequently transfer charge to the analyte, producing significantly less fragmentation than conventional electron ionization (EI).&nbsp;</p><p>PCI further improves sensitivity by generating predominantly protonated molecular ions [M +H]+ , concentrating the ion signal into a high-abundance species and delivering a stronger response and improved signal-to-noise ratios for trace-level compounds. Ammonia is an especially effective reagent gas for PCI due to its clean and efficient proton‑transfer chemistry, low background spectral contribution, and ability to produce stable, high-intensity molecular ions.&nbsp;</p><p>These characteristics make ammonia PCI a highly suitable ionization mode for the sensitive and selective analysis of small polar contaminants such as nitrosamines, where low‑level detection and confident molecular ion identification are critical.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The study has shown that the Agilent 5977 GC/MSD, operated in PCI mode with ammonia, delivers the sensitivity, accuracy, and reproducibility needed for trace-level nitrosamine&nbsp;analysis. The method demonstrated excellent linearity, with regression coefficients (R²) of 0.9989 or better across the 0.1 to 20.0&nbsp;ppb range for six nitrosamines, and 0.9987 across the 0.5 to 20.0&nbsp;ppb range for NPYR. Analytical repeatability was robust, with %RSD values &lt; 4.8% at the lowest calibration level, indicating a stable and consistent instrument response. Instrument Detection Limits ranged from 0.0063 to 0.0655&nbsp;ppb, demonstrating the system's ability to reliably distinguish analyte signals from instrumental noise. Overall, these results confirm the suitability of the 5977 GC/MSD as a sensitive and dependable platform for nitrosamine analysis in applications that require stringent trace‑level detection</p><h3><strong>2. BaySpec: Peptide sequencing using </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2218"><strong>Continuity miniature mass spectrometer</strong></a></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Bay_Spec_App_Note_Peptide_Sequencing_002_af7ca2496c.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Peptide identification and sequencing strategies by mass spectrometry have been very well-developed during the last 25 years after the soft ionization techniques have been introduced. When sequencing peptides with tandem mass spectrometry (MS<sup>n</sup>), peptides are cleaved at various locations off their backbones to generate fragment ions of different masses based on their amino acid sequences. The most common product ions are the b-, y-, and a-ions generated from the cleavage of amide bond (CO-NH) and the subsequent loss of CO from the b-ions to form a-ions. The resulting MS<sup>n</sup> spectra can be matched with a database or computed with an algorithm to get the original sequence of known or unknown peptides.&nbsp;</p><p>Here we present an example of peptide sequencing with BaySpec’s highly-portable (22 kg) and battery operated Continuity -series portable mass spectrometer. It features a linear ion trap with collisionally induced dissociation (CID) for MS<sup>n</sup> analysis, similar to the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2219"><strong>Portability series mass spectrometers</strong></a>. In addition, Continuity is equipped with a continuous atmospheric pressure sampling inlet with differential pumping, allowing the detection of a larger mass range (110 – 950 amu). BaySpec’s Continuity mass spectrometer is ideal for on-site peptide sequencing. In this application note, we show an example of peptide sequencing in a standard mixture (H2016, SigmaAldrich) with Continuity mass spectrometer. The mixture was dissolved in HPLC grade water, and then further diluted with an electrospray solution (50:50 methanol:water with 0.5% acetic acid). The diluted solution is directly infused into the API inlet of the Continuity mass spectrometer without any further treatment or separation.</p><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2218"><strong>Continuity<sup>TM</sup> Mass Spectrometer&nbsp;</strong></a></h4><p>The Continuity mass spectrometer is one of BaySpec’s newest portable instruments. Continuity features a continuous sampling atmospheric pressure inlet, wide mass range and high sensitivity. Designed to bring the benefits of powerful mass to the field, the Continuity can service a variety of bulk or trace detection applications, as well as scientific studies.</p><h3><strong>3. MDCW / SepSolve: Sniff smarter: Empowering GC–O with trap-based enrichment and GC×GC for advanced aroma profiling</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_5_Mikaliunaite_29610bc29d.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The presentation focuses on improving the correlation between chemical analysis and human sensory perception in complex samples such as food matrices. Traditional gas chromatography–olfactometry (GC–O) workflows face two major limitations: the presence of trace-level odorants with extremely low odour detection thresholds and the frequent co-elution of compounds, which makes it difficult to assign specific sensory attributes to individual analytes. As highlighted in the early slides, these challenges often result in discrepancies between what instruments detect and what the human nose perceives .</p><p>To address these issues, the study introduces <strong>trap-based enrichment</strong> as a key enhancement step. This approach enables pre-concentration and focusing of volatile organic compounds (VOCs) prior to GC analysis, while selectively removing interferents such as water and air. The use of electrically cooled traps allows efficient analyte retention and rapid thermal desorption, improving sensitivity without the need for cryogens. Importantly, this enrichment strategy enhances the detectability of trace odorants, enabling better alignment between instrumental signals and sensory perception.</p><p>A second major advancement presented is the integration of <strong>comprehensive two-dimensional gas chromatography (GC×GC) coupled with TOF-MS and olfactory detection (GC×GC–O–TOF MS)</strong>. Compared to conventional one-dimensional GC, GC×GC significantly increases separation capacity, effectively resolving co-eluting compounds. This enables more confident identification of odor-active compounds and clearer mapping between chromatographic peaks and recorded aroma descriptors. The workflow also incorporates an odour detection port (ODP), allowing simultaneous acquisition of chromatographic and sensory data, thereby bridging the gap between analytical chemistry and human olfaction.</p><p>The methodology is demonstrated using real-world applications, including <strong>citrus rind and orange juice analysis</strong>, where complex aroma profiles are investigated. The results show that GC×GC combined with enrichment and advanced data processing (e.g., Smart Subtract®) enables detailed comparison of sample variants (e.g., juice with vs. without pulp) and identification of subtle compositional differences. Overall, the study highlights that combining trap-based enrichment, GC×GC separation, and integrated sensory detection provides a powerful platform for comprehensive aroma profiling, improving both sensitivity and interpretability in flavour and fragrance analysis</p><h3><strong>4. Shimadzu: Dual-line Gas Analysis Using a </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=gc-2060"><strong>Nexis GC-2060</strong></a><strong> Gas Chromatograph with a </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GI-30+Auto+Gas+Injector"><strong>GI-30 Auto Gas Injector</strong></a><strong> and BID and TCD Detectors</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01171_en_5a83027622.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>The Nexis GC-2060 can be equipped with two GI-30 units, enabling automated gas analysis for two sample lines on a single GC.&nbsp;</li><li>The combination of TCD and BID detectors enables analysis of a wide range of sample concentrations.&nbsp;</li><li>Using the GI-30 auto gas injector enables automated gas-sample introduction with high repeatability</li></ul><p>Gas analysis is performed across a wide range of fields, including resource and energy applications and environmental applications. Typical target analytes include inorganic gases such as H<sub>2</sub>, N<sub>2</sub>, CO, and CO<sub>2</sub>, as well as light hydrocarbon gases such as CH<sub>4</sub>. Because concentration ranges and matrices vary depending on the sample, detection sensitivity and separation performance must be optimized to meet the measurement objective.&nbsp;</p><p>Both BID and TCD detectors can detect all compounds except carrier gases (BID cannot detect Ne). The BID is a Shimadzudeveloped detector that enables highly sensitive analysis of lowlevel components at the ppm level and simultaneous analysis of multiple compounds, including H<sub>2</sub>. In contrast, the TCD provides stable analysis even at high concentrations on the order of percent, and it also has a short time from startup to analysis readiness. Using both detectors together allows a single GC system to cover a wide concentration range from low to high.&nbsp;</p><p>This article describes dual-line gas analysis using a Nexis GC-2060 equipped with both a BID and a TCD, combined with automated sample introduction using the GI-30 auto gas injector. By combining a BID and a TCD,samples across a broad concentration range can be measured. In addition, automated introduction of gas samples using the GI-30 improves repeatability in continuous analysis and enhances operational efficiency.</p><h4><strong>Dual-LineGas Analysis Using the GI-30</strong></h4><p>The GI-30 is an auto gas injector that enables automated, continuous analysis of gas samples (Fig. 1 (right) shows a schematic diagram of the GI-30). With its highly expandable design, the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=gc-2060"><strong>Nexis GC-2060 </strong></a>can be equipped with two <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GI-30+Auto+Gas+Injector"><strong>GI-30</strong></a> units (Fig. 1 (left)). This enables high-throughput automated gas analysis of two sample lines on a single GC. In addition, because the injection unit, column, detector, and carrier gas can be configured independently for each line, the system can accommodate gas samples with diverse compositions and concentrations. In this application, Line 1 was configured with an SPI/BID to provide highly sensitive detection of low-level components. The SPI is a split/splitless injection unit dedicated to gas analysis. Its high airtightness and inert deactivation of the flow path help suppress ambient air intrusion and analyte adsorption, making it effective for analyzing trace atmospheric components (e.g., N<sub>2</sub> and O<sub>2</sub>) and components that tend to adsorb. In contrast, Line 2 was configured with an SPL/TCD. Using an SPL injection unit also allows liquid sample analysis and manual injection with a gas-tight syringe.</p><h4><strong>Conclusion</strong></h4><p>Low- and high-concentration gas samples were analyzed simultaneously on two lines using a Nexis GC-2060 equipped with two GI-30 units and a BID/TCD. By adopting a dual-line configuration with dual GI-30 units and selecting the injection unit, column, detector, and carrier gas according to the measurement objective, it is possible to expand the range of sample concentrations and compositions that can be measured. In addition, automated, continuous gas analysis using the GI-30 reduces the analyst’s workload and enables highly repeatable analysis that is difficultto achieve with manual introduction.</p>

News from LabRulezGCMS Library - Week 16, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 20th April 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 application notes by <strong>Agilent Technologies </strong>and<strong> Shimadzu, </strong>brochure by <strong>BaySpec </strong>and<strong> </strong>presentation by <strong>MDCW / William &amp; Mary!</strong></p><h3><strong>1. Agilent Technologies: Analysis of Aromatic Amines in Textile Samples</strong></h3><p><strong>Using hydrogen carrier gas and an Agilent 8890 gas chromatography system coupled with an Agilent 5977C GC/MSD with an Agilent HydroInert source</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_amines_textile_gcms_5994_8997en_agilent_1a9ca88e41.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Azo dyes, characterized by the azo group (–N=N–), represent the largest class of synthetic organic colorants, accounting for approximately 70% of the global dye market with over 3,000 variants in use.<sup>1</sup> Their widespread application in textiles, leather, plastics, cosmetics, food, and pharmaceuticals is attributed to their low cost, colorfastness, and structural versatility. Global textile dye production exceeded 1 million tons in 2020.1 Despite their industrial significance, azo dyes pose serious environmental and health concerns.<sup>1,2 </sup>Up to 15% of these dyes are discharged into wastewater or solid waste streams, and as much as 40% may be lost during textile processing. Resistant to degradation, they persist in ecosystems and can release harmful aromatic amines under certain conditions.<sup>1</sup> Numerous GC/MS-based analytical methods are available for the estimation of amine compounds. These methods use helium as the carrier gas. For a sustainable analytical solution, there is a need for an alternative carrier gas to overcome the challenges occurring due to helium scarcity.&nbsp;</p><p>The method adopted for this application note demonstrates the use of hydrogen as a carrier gas in the Agilent 8890 gas chromatography system coupled with the Agilent 5977C GC/MSD using a HydroInert source for the quantification of aromatic amines residues in textile&nbsp;samples.&nbsp;</p><h4><strong>Experimental</strong></h4><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890 Gas Chromatography System</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977C"><strong>Agilent 5977C GC/MSD</strong></a></li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>This application note presents key strategies for the analysis of amines using GC/MS with hydrogen as the carrier gas, while maintaining sensitivity to meet the maximum residue limits (MRLs) as mentioned in part 1 of ISO:14362. The method includes an Agilent J&amp;W DB-35ms column (20 m × 0.18 mm, 0.18 µm) and a hydrogen‑compatible electron ionization source, the Agilent HydroInert source. The optimized setup with hydrogen showed good chromatographic resolution. The HydroInert source was shown to provide good sensitivity. The method presented here allowed for the quantitation of 24&nbsp;target amines analytes at concentrations ranging from 0.25 to 20 µg/mL in an aqueous standard. Good repeatability was found with %RSD values below 5 for 22 of the 24&nbsp;compounds. Real world textile samples were also analyzed using the same method and three target compounds—aniline, o-toluidine, and benzidine—were observed as present in those samples.</p><h3><strong>2. BaySpec: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2221"><strong>Ion-K9</strong></a><strong> The World’s First Portable, Non-Contact Trace Vapor Detector</strong></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/AFT_u_MS_flyer_final_e882bcb462.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2221"><strong>Ion-K9</strong></a> represents a breakthrough in trace detection technology as the world’s first portable, non-contact vapor detector. Designed for rapid and reliable field deployment, this system enables real-time identification of trace-level threats without the need for direct sample contact. By utilizing advanced vapor sampling and mass spectrometry, it provides a safe and efficient solution for detecting hazardous substances in security, forensic, and environmental applications .</p><p>At the core of the Ion-K9 is a miniature linear ion trap mass analyzer combined with a non-radioactive ionization source, allowing detection of a wide range of explosives and narcotics. The system achieves ultra-high sensitivity down to parts-per-trillion levels (pptv), ensuring reliable identification of compounds such as TNT, RDX, fentanyl, and methamphetamine. Its ability to operate in both positive and negative ion modes further enhances detection flexibility across diverse chemical classes .</p><p>The instrument is engineered for operational reliability in real-world environments, offering a low false alarm rate below 0.001% while maintaining detection rates above 99.999%. An integrated Intel® Core™ i7 system with a touchscreen interface provides intuitive operation and immediate visual feedback, enabling users to quickly assess whether a threat is present and access detailed analytical data when needed .</p><p>With its compact, portable design and capability for battery operation, the Ion-K9 is well suited for deployment in airports, border control, law enforcement, and emergency response scenarios. By combining high sensitivity, rapid analysis, and non-contact sampling, it delivers a powerful tool for modern security and analytical workflows, ensuring both efficiency and operator safety in demanding environments.</p><h3><strong>3. MDCW / William &amp; Mary: Developing a Combined Approach to Green Gunshot Residue Analysis in the Forensic Laboratory</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_24_Saunders_f2c5bcdb20.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The growing adoption of environmentally friendly (“green”) ammunition presents new analytical challenges for forensic laboratories, particularly in the detection of gunshot residue (GSR). Traditional approaches rely heavily on identifying inorganic particles containing heavy metals such as lead, barium, and antimony. However, green ammunition eliminates these markers, producing residues composed of more ubiquitous materials that are significantly harder to detect and interpret. This shift necessitates the development of new analytical strategies capable of identifying both inorganic and organic components of GSR.</p><p>To address this challenge, a combined analytical approach integrating scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDS) and comprehensive two-dimensional gas chromatography (GC×GC) was developed. SEM-EDS enables detailed morphological and elemental characterization of particles, identifying features such as size, shape, and elemental composition. In parallel, GC×GC provides enhanced separation and detection of organic gunshot residue (OGSR), offering significantly improved resolution and peak capacity compared to conventional one-dimensional GC methods.</p><p>Method development focused on optimizing GC×GC parameters, including inlet temperature, modulation period, and chromatographic conditions, to improve analyte detectability. As illustrated by chromatographic data, optimized conditions led to better separation and increased visibility of key compounds compared to standard methods. The approach was validated using multiple standards, including phthalates, nitroaromatic compounds, nitroglycerin, and gun surveillance mixtures, demonstrating reliable identification of relevant analytes in complex matrices.</p><p>Overall, this integrated workflow represents a promising strategy for modern GSR analysis, particularly for samples derived from green ammunition. By combining inorganic particle characterization with advanced organic residue analysis, the method enhances analytical confidence and expands the capability of forensic laboratories. Future work will focus on further method refinement, including sorbent-based extraction techniques and the incorporation of retention indices, to strengthen robustness and support admissibility under forensic standards.</p></div></div></div></div></div></div></section><h3><strong>4. Shimadzu: Simple Aroma Component Analysis Using </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=gc-2060"><strong>Nexis GC-2060</strong></a><strong> with a Multi-Mode Inlet (MMI) Detectors</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01165_en_9af6a30e20.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>By installing an MMI in a Nexis GC-2060 system, a wide variety of injection methods can be used .</li><li>By using a MonoTrap silica monolith sorbent to collect aroma components, highly sensitive analysis can be achieved without cumbersome extraction procedures.</li><li>With the MMI thermal desorption/extraction mode, aroma components can be analyzed without dedicated sample-preparation equipment.</li></ul><p>Given that aroma is an important attribute of foods, gas chromatography (GC) and gas chromatography–mass spectrometry (GC-MS) are often used for qualitative and quantitative analysis of aroma components. Aroma components are typically collected from foods using headspace sampling, solid-phase microextraction (SPME), or liquid extraction methods, but for this article, a MonoTrap silica monolith sorbent was used to collect aroma components from alcoholic beverages. With the MonoTrap, aroma components can be collected and concentrated without cumbersome extraction procedures, enabling highly sensitive analysis.&nbsp;</p><p>In this case, aroma components were analyzed using a Nexis GC-2060 gas chromatograph system equipped with a MultiMode Inlet (MMI). The MMI is a newly developed inlet that supports a wide range of injection methods. This article describes using the thermal desorption/extraction mode, one of the methods available with the MMI, to desorb the aroma components collected on the MonoTrap sorbent and inject them into the GC unit. That enabled highly sensitive aroma analysis while reducing analysis costs, without using dedicated sample-preparation equipment.</p><h4><strong>Overview of the Multi-Mode Inlet (MMI)</strong></h4><p>The Nexis GC-2060 can be equipped with a Multi-Mode Inlet (MMI) (Fig. 1 (right)), a new type of inlet . The MMI is a newly developed inlet that allows many injection methods to be used with a single inlet—not only the commonly used split/splitless injection methods, but also programmed temperature vaporizing (PTV) injection, direct injection, large volume injection, and thermal desorption/extraction methods . It supports a wide range of applications across many fields, including analyzing pesticide residues in foods using largevolume injection and aroma analysis using thermal desorption. Because the MMI enables rapid temperature ramping at rates up to 1200 °C/min, it can suppress peak broadening. In addition, by selecting optional cooling with compressed air or liquid nitrogen, analysis cycle times can be shortened with fast cooling. The GC-2060 also comes standard with the “Easy sTop” function, which allows inlet maintenance to be performed immediately with simple steps, enabling smooth maintenance operations, such as insert replacement, even after cooling.</p><h4><strong>Conclusion</strong></h4><p>By analyzing aroma components using the Nexis GC-2060 in combination with a Multi-Mode Inlet (MMI) and a MonoTrap silica monolith sorbent, aroma characteristics of respective alcoholic beverages could be analyzed and evaluated easily without dedicated sample-preparation equipment and without performing cumbersome extraction procedures. Acknowledgements We would like to express our sincere gratitude to President Shiro Yamada and Mr. Dai Takai of Far Yeast Brewing Co., Ltd., and to President Narihiro Suzuki and Mr. Takuma Yamamiya of ISEKADO (Isekadoya Brewery) for their cooperation in conducting these measurements.</p>

News from LabRulezGCMS Library - Week 17, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 27th April 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 application note by<strong> Shimadzu, </strong>scientific article by <strong>BaySpec, </strong>poster by <strong>MDCW / JEOL</strong> and technical note by <strong>Thermo Fisher Scientific!</strong></p><h3><strong>1. BaySpec: PNNL and BaySpec Launch Compact Mass Spectrometry System for Rapid Narcotics Detection</strong></h3><ul><li>Scientific article</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/PNNL_and_Bay_Spec_Launch_Compact_Mass_Spectrometry_System_for_Rapid_Narcotics_Detection_087ddb9b7e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The U.S. Department of Energy’s Pacific Northwest National Laboratory’s (PNNL) VaporID, which is a newly developed portable air sampling system incorporating a miniaturized mass spectrometer (MS), can detect trace levels of fentanyl, methamphetamine, cocaine, and even explosives like TNT with great accuracy, the laboratory announced in a press release (1). Because of its success, BaySpec, an optical products manufacturer, is commercializing this instrument, which will be produced later in 2025 (1,2).&nbsp;</p><p>The new system employs a technique known as noncontact detection, which collects airborne molecules and analyzes them in real time using a miniature mass spectrometer (1). The VaporID device was first developed in 2020. The device won GeekWire’s Innovation of the Year award that same year (2). At the 2025 American Society for Mass Spectrometry (ASMS) conference in Baltimore Maryland, Krisztian Torma, a BaySpec scientist and one of the lead developers, presented the latest test results of the device. The VaporID device was field-tested at the U.S.–Mexico border crossing in Nogales, Arizona. Working with the U.S. Customs and Border Protection (CBP) agency, the device was able to successfully identify trace amounts of fentanyl, as well as other narcotics including MDMA (ecstasy), methamphetamine, ketamine, and cocaine (1).</p><p>Fentanyl, explosives, and other drugs have low vapor pressure, which means that they do not willingly evaporate and release very few molecules into the air. Given the fact that there are often other interfering chemicals in the air, this presents a detection challenge. The VaporID system overcomes this hurdle by filtering out irrelevant vapors and enhancing signal clarity (1).&nbsp;</p><p>The success of the VaporID system is the result of a two-year collaboration between PNNL and BaySpec. With plans to commercialize the system by the end of the year, BaySpec aims to bring this advanced narcotics and explosives detection tool into routine use at ports of entry, airports, shipping facilities, and public event venues (1).</p><h3><strong>2. MDCW / JEOL: ANALYSIS OF AROMA COMPOUNDS IN SPICES BY COMPREHENSIVE TWO-DIMENSIONAL GAS CHROMATOGRAPHY/TIME-OF-FLIGHT MASS SPECTROMETRY WITH MACHINE LEARNING-BASED STRUCTURE ELUCIDATION AND MOLECULAR FORMULA ESTIMATION</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_9_Kubota_90c993d536.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>In GCxGC-MS, compound identification is commonly performed by searching the NIST database (DB) using electron ionization (EI) data. However, some compounds are not registered in the NIST DB. In addition, molecular formula estimation from molecular ions obtained by soft ionization often results in a large number of candidate formulas. To address these issues, we developed two machine learning (ML)–based methods for molecular formula recommendation and structural formula estimation. In this study, these methods are applied to the analysis of aroma compounds in spices using SPME-GCxGC-TOFMS.</p><h4><strong>Experiments</strong></h4><ul><li><strong>Sample: </strong>0.25 mg dried cardamom seeds&nbsp;</li><li><strong>GC-HRTOFMS:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=23&amp;search=JMS-T2000GC"><strong>JMS-T2000GC</strong></a> (JEOL)&nbsp;<ul><li>SPME Fiber: DVB/CAR/PDMS fiber (20 mm, 50/30 μm) at 50°C for 30 min.&nbsp;</li><li>GCxGC Thermal modulator: INSIGHT-Thermal (Sepsolve)&nbsp;</li><li>Modulation period: 6 s&nbsp;</li><li>Column: BPX5 30 m, 0.25 mm. 0.25 µm × Rxi-17Sil MS 3.4 m, 0.15 mm, 0.15µm</li><li>Ionization: Electron ionization (EI) and Field ionization (FI).&nbsp;</li></ul></li><li><strong>Data processing:</strong> msFineAnalysis AI (JEOL)</li></ul><h4><strong>Conclusion</strong></h4><p>We reported two machine learning (ML)-based methods for molecular formula recommendation and structural formula estimation, and applied them to the analysis of aroma compounds. Our method is considered effective for rapid structural estimation of unknown compounds in GCxGC-MS measurements.</p><h3><strong>3. Shimadzu: HS-GC Analysis of Sake Aroma Compounds Using Hydrogen Carrier Gas</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00886_en_974e971712.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>Aroma compounds in alcoholic beverages can be quantified easily and cost-effectively.</li><li>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=HS-20+NX"><strong>HS-20 NX headspace sampler</strong></a> enables simple, high-sensitivity analysis of aroma compounds.</li><li>Using hydrogen as the carrier gas reduces costs while maintaining separation performance.</li></ul><p>Aroma is a crucial component of sake. Therefore, during the sake production process, it is essential to preserve the sake’s aroma profile. One key step in sake production is pasteurization (“hiire”), in which unpasteurized sake is heated to sterilize it, deactivate enzymes, and halt fermentation. This pasteurization step is known to impair the aroma of sake if it is carried out for too long or at too high a temperature. In this analysis, a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2030"><strong>Nexis GC-2030 gas chromatograph</strong></a> was combined with an HS-20 NX headspace sampler (Fig. 1) to quantify individual aroma compounds in sake before and after pasteurization.&nbsp;</p><p>Headspace gas chromatography (HS-GC) is an effective method for analyzing volatile compounds, including aromas. HS-GC requires no pretreatment (e.g., derivatization), and sample preparation is straightforward: simply place the sample in a vial and perform the analysis.&nbsp;</p><p>Hydrogen, which is inexpensive and readily available, was used as the carrier gas. Using H2 gas as the carrier reduces analysis costs while maintaining high separation performance over a wide range of linear velocities. However, because hydrogen is flammable, it must be handled with care. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2030"><strong>Nexis GC-2030</strong></a>, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Brevis+GC-2050"><strong>Brevis GC-2050</strong></a>, and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2060"><strong>Nexis GC-2060</strong></a> gas chromatographs can be equipped with an optional hydrogen sensor that measures H2 concentration in the column oven. If the hydrogen sensor detects a leak, the system shiftsto standby mode or automatically powers off, helping prevent accidents before they occur.</p><h4><strong>Conclusion</strong></h4><p>By combining the Nexis GC-2030 gas chromatograph with the HS-20 NX headspace sampler, the aroma compounds can be easily quantified without pretreatment such as derivatization. In addition, using inexpensive, readily available H2 as the carrier gas reduces analysis costs while maintaining high separation performance. Because the Nexis GC-2030 can be equipped with an optional hydrogen sensor, analyses using H2 carrier gas can be performed safely.</p><h3><strong>4. Thermo Fisher Scientific: “Outside the box” Raman spectroscopy: Remote measurements for bulk samples</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/remote_measurements_for_bulk_samples_tn1524_en_498225b670.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The effectiveness of Raman spectroscopy depends, in general, on focusing the excitation laser onto the sample. However, there are many cases where a traditional spectrometer’s working distance is not sufficient to achieve this, in which case a focus-independent, long-distance collection proves invaluable. One potential application of this focus-independent “remote” measurement is high-throughput plastics recycling, where many differently sized plastics are passed along at a fixed distance and screened for specific material identification. Similarly, any potential use cases of samples inside a glove box or within a hazardous environment may benefit from long-distance collection, because the laboratory grade spectrometer can be kept clear of the sample enclosure while providing excellent spectral signal. It should be noted that each unique application comes with its own optical beam path and laser safety requirements.</p><p>In addition to this particular modality, the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2238"><strong>Thermo Scientific™ DXR3 Flex Raman Spectrometer</strong></a> provides excellent experimental versatility with micro scale, bulk sampling, and fiber probe collection modes also available. Shown below is a longdistance analytical setup in which the DXR3 Flex Raman spectrometer passes the unfocused laser beam through a quartz shielding window onto a polystyrene sample (Figure 1). The relationship between pathlength/sample mounting preparation and spectral signal is investigated below, to validate the use of a long-distance collection mode as a viable alternative to more traditional, focus-dependent analysis. It is worth mentioning the practice of standoff Raman spectroscopy, a technique designed to provide Raman data at distances ranging from 1 m to several hundred meters. However, these systems often require significantly different components than a standard Raman spectrometer, such as pulsed lasers, gated detectors, UV excitation wavelengths, and telescopic focusing elements.¹ The work described here performs measurements at a distance with a simple, off-the-shelf, benchtop spectrometer.</p><h4><strong>Practical use case: recycled plastic identification&nbsp;</strong></h4><p>One of the major benefits of this long-distance measurement technique is being able to handle samples of various sizes and thicknesses without needing to adjust the laser focus for specific samples. The following results simulate a potential use case where remote Raman spectroscopy is used to rapidly identify the plastic materials of various sizes. The samples were fixed at a 50 cm pathlength, and collection times were set at 10 s.</p><p>All three samples show clear and identifiable Raman signals. The plastic drum is identified as polyethylene, while the water bottle is a specific, BPA-free polycarbonate alternative. The plastic bag is multilayered, with signals from both polyethylene and polycarbonate, along with a visible fluorescence peak at 2150 cm-1. All of these different polymers are spectroscopically identifiable, and at a range of different sample thicknesses. These results provide an excellent view into the use of this technique on non-reference samples. This is just one example of a potential use for the long-distance collection mode, a mode which enables much greater versatility in experimental design and instrument placement.</p></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 18, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 4th May 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 application note by<strong> Shimadzu, </strong>presentation by <strong>MDCW / JEOL</strong> and technical note by <strong>Thermo Fisher Scientific!</strong></p><h3><strong>1. MDCW / JEOL: Flow-Modulated GCxGC-QMS Analysis Without Splitting Off the GC Flow</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_16_Jensen_11e29d5022.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>This presentation by Kirk Jensen (JEOL USA) explores the feasibility of performing <strong>flow-modulated comprehensive two-dimensional gas chromatography (GC×GC) coupled with quadrupole mass spectrometry (QMS)</strong> without splitting the GC flow, which is traditionally required to protect MS systems from high carrier gas flows. The core concept builds on GC×GC, where compounds are separated using a primary and secondary column connected via a modulator, significantly increasing separation power compared to one-dimensional GC. The presentation contrasts <strong>thermal modulation</strong> (offering sharper peaks and higher theoretical sensitivity but requiring cryogenic cooling) with <strong>flow modulation</strong>, which avoids cryogens, handles volatile analytes well, and is more flexible, but typically demands higher gas flows that standard MS systems cannot tolerate .</p><p>To address this limitation, the study utilizes the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=24&amp;search=JMS-Q1600GC"><strong>JEOL JMS-Q1600GC</strong></a><strong> UltraQuad quadrupole GC-MS system</strong>, which can accept unusually high carrier gas flows (up to ~20 mL/min), enabling direct coupling with a <strong>SepSolve INSIGHT flow modulator</strong> without splitting the effluent . The analytical setup includes dual GC columns (e.g., Zebron ZB-5MSplus for the first dimension and BPX50 for the second), high secondary flow rates (~25 mL/min), and electron ionization (EI) MS detection. Additional system components include optional FID detection, bleed line control, and ChromeSpace software for data processing . This configuration allows full analyte transfer into the MS, eliminating the need for flow splitting and potentially improving detection efficiency.</p><p>Experimental results demonstrate the applicability of this approach to complex mixtures, including a <strong>pesticide mixture containing over 200 compounds</strong> and real-world samples such as perfumes and fuels. The GC×GC-MS system produced detailed two-dimensional chromatograms with high spectral quality, enabling the correct identification of approximately 120 compounds despite relatively moderate spectral match factors . Comparisons at different flow rates (e.g., 25 vs. 50 mL/min) showed that spectral integrity and compound identification remain robust, indicating that higher flow operation does not significantly compromise MS performance.</p><p>In conclusion, the work demonstrates that <strong>flow-modulated GC×GC-QMS without flow splitting is feasible</strong>, provided that the MS system can tolerate high carrier gas flows. While further optimization is needed (e.g., column selection, inlet pressure, and separation conditions), the approach offers a practical alternative to thermal modulation by eliminating cryogens and simplifying operation. Future work will focus on improving sensitivity, optimizing separations, and exploring alternative carrier gases such as hydrogen to reduce costs and expand applicability</p></div></div></div></div></div></div></section><h3><strong>2. Shimadzu: Detailed Hydrocarbon Analysis by Nexis GC-2030 Using ASTM D6730</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00863_en_eb633bc741.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>Detailed compositional analysis of gasoline in accordance with ASTM D6730 is feasible using the Nexis GC-2030.&nbsp;</li><li>By employing PONAsolution, a PONA/DHA analysis software, laborious identification tasks can be reduced, and quantitation calculations and report generation can be performed automatically.</li></ul><p>ASTM D6730 specifies the analysis of hydrocarbons in gasoline and oxygenates such as ethanol, methyl tert-butyl ether (MTBE), and ethyl tert-butyl ether (ETBE) over a boiling point range up to 225 ̊C. Identification and quantification of individual compounds in gasoline are critically important for refinery process control and product quality assurance. In this application news, we report compositional analysis of gasoline conforming to ASTM D6730 using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2030"><strong>Nexis GC-2030 gas chromatograph</strong></a>. Gasoline typically comprises over 100 hydrocarbons, making identification tasks highly complex; however, PONAsolution, a PONA/DHA analysissoftware,simplifies this process.</p><h4><strong>PONAsolution</strong></h4><p>PONAsolution Ver.6 provides retention index libraries for each relevant standard (ASTM D6730, D6729, D5134, D6733). Identification of n-alkanes automatically corrects the retention times of the remaining several hundred components, thus streamlining the identification process. When only a specific retention region requires adjustment, the two-point identification function is useful (Fig. 1). In the two-point identification procedure, reference and sample chromatograms are compared while assigning corresponding peaks. First, click on an identified component mark in the reference data (Fig. 1, a), then click the matching sample peak (Fig. 1, b). Repeat this for a second pair of peaks. The retention times of components between these two anchor points are then automatically corrected.</p><h4><strong>Conclusion</strong></h4><p>Compositional analysis of gasoline in accordance with ASTM D6730 was performed. The combination of SH PONA Tuning Column and SH-1 PONA main column enabled separation of compounds with closely spaced retention times. Moreover, use of PONAsolution software greatly simplifies complex identification tasks.</p><h3><strong>3. Thermo Fisher Scientific: Fiber optic probes add flexibility to Raman chemical analysis</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/drx3_flex_tech_note_tn54708_bebb56b870.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Fourier Transform Infrared Spectroscopy (FTIR) and Raman Spectroscopy are non-destructive analytical techniques that rely on the interaction of electromagnetic radiation with molecular vibrations to provide information about the chemical composition and structure of a sample. Despite their similarities, there are some distinct differences between the two techniques. In principle, FTIR is based on the absorption of infrared radiation by molecules and measures changes in dipole moment during molecular vibrations. Raman spectroscopy, on the other hand, is based on the inelastic scattering of monochromatic light and measures changes in polarizability during molecular vibrations.&nbsp;</p><p>When applied to bulk chemical analysis, both FTIR and Raman spectroscopy can be used to analyze solids, liquids, and gases, but the nature of Raman spectroscopy lends some unique sampling advantages. Additionally, Raman often requires little to no sample preparation. Presented herein are application examples that highlight some of the sampling advantages of Raman spectroscopy. All the spectral data in this technical note were collected using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2238"><strong>Thermo Scientific™ DXR3 Flex Raman Spectrometer</strong></a> equipped with a fiber optic probe. (Fiber optics are readily available for Raman spectroscopy because of the use of visible and NIR light and do not require the exotic materials associated with FTIR fiber optics.) Preliminary tests for all samples were carried out using both 532 nm and 785 nm excitations, and it was determined that the 785 nm laser set gave an overall better balance between fluorescence and Raman scattering efficiency.</p><h4><strong>Summary&nbsp;</strong></h4><p>In this technical note, the analyses of a variety of samples by Raman spectroscopy are demonstrated. All samples were analyzed without sample preparation.&nbsp;</p><ul><li>Precise and localized analysis at the focal point of the Raman-exciting laser allows sampling through glass bottles, blister packaging and plastic containers, which eliminates possible cross contamination and analyst exposure to hazardous materials. The contributions from the packaging and containers depend on the type of container material, the container thickness, and the materials’ chemical compositional complexity, but these contributions can be readily subtracted out when needed.&nbsp;</li><li>Water is a weak Raman scatterer. Raman therefore has reduced water sensitivity, making it a preferred technique for aqueous solution analysis over FTIR. As demonstrated in the analysis of an energy drink, the Raman bands from water can be subtracted from the spectrum of the aqueous solution, leading to the identification of the components of the solution.&nbsp;</li><li>Raman spectroscopy is well suited for the analysis of inorganic materials, especially in identifying the crystal phases and polymorphs, as demonstrated by the analyses of minerals and pigments in a painting.&nbsp;</li><li>Fiber optic probes provide flexibility and ease of maneuverability. This is particularly advantageous when analyzing samples that are difficult to access or manipulate, such as large containers, geological samples and paintings</li></ul><p>The DXR3 Flex has multiple sampling options available. A properly configured fiber-optic probe is arguably the most versatile accessory for the analysis of bulk solids and liquids. The advantages, both from those inherent to Raman spectroscopy and those resulting from the use of fiber optic probe, provide opportunities for a wide variety of different applications when using the DXR3 Flex Raman Spectrometer.</p>

News from LabRulezGCMS Library - Week 19, 2026

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