<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 8th September 2025? 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 poster by <strong>Agilent Technologies / ASMS </strong>and application notes by <strong>EST Analytical</strong> and <strong>Shimadzu!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Optimizing the Efficiency and Productivity of GC/MS Workflows to Improve Laboratory Sustainability</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_db_5q_hydroinert_sustainability_asms_2025_mp_365_en_agilent_3cc1d968a1.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Today, laboratories consume a staggering 10 times more energy and water than a typical office [1]. Labs with GC and GC/MS systems have unique sustainability challenges due to the resource-intensive nature of these instruments. They consume large amounts of gas and energy while also generating hazardous waste products. According to Agilent customer surveys, 85 percent of labs and organizations have sustainability goals in place, and 83 percent of lab leaders believe their current workflow requires optimization to meet their sustainability ambitions [2]. A more efficient laboratory is a more sustainable one. This poster outlines some simple approaches that laboratories can take, today, to optimize workflow efficiency and productivity, thus minimizing resource consumption.</p><h4><strong>Experimental</strong></h4><p>Laboratory workflows are the cornerstone of laboratory operations. In this poster we will illustrate the impact of column scaling for GC/MS workflows, the use of hydrogen as an alternative, renewable carrier gas for GC and GC/MS. Hydrogen offers unique safety and reactivity challenges that we will address with Agilent HydroInert source. Lastly, we will demonstrate simple and effective ways to conserve gases, focusing on existing helium carrier gas workflows. In the end, these simple, easy-toimplement practices will illustrate how sustainability can be accomplished in conjunction with improving workflow profitability and productivity.</p><h4><strong>Alternative Carrier Gases</strong></h4><h5><strong>Carrier Gases&nbsp;</strong></h5><p>Helium shortages have impacted analytical laboratories since 2006 and repeatedly been in short supply[3]. While helium’s availability has improved in recent years, there are still concerns surrounding supply stability and rising costs. Knowing the cyclic nature of the helium supply chain, exploring alternative carrier gas options like hydrogen and nitrogen are necessary for laboratory managers looking for sustainability, flexibility, and cost savings measures. Specifically, hydrogen carrier gas is a good option for GC/MS methods and when using the Agilent Method Translator tool, methods can easily be transferred. Figure 3 highlights parameter adjustments for translation like pressure, flow, velocity, and temperature program rates to ensure similar relative retention orders with the alternative gas. Hydrogen when compared to nitrogen as a carrier gas provides the best alternative for chromatographic resolution and speed. Figure 4 demonstrates a method transfer of helium to hydrogen carrier gas for ASTM D5769.</p><h4><strong>Consumables Impact&nbsp;</strong></h4><h5><strong>Tailored </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=19&amp;mainauthorItems=10"><strong>GC Columns&nbsp;</strong></a></h5><p>Consumables in GC/MS workflows are often overlooked as contributing factors to sustainability and optimization. For example, minimizing column bleed and improving GC column thermal durability can have a major beneficial impacted for both data quality and instrument uptime. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=19&amp;mainauthorItems=10&amp;search=J%26W+5Q"><strong>Agilent J&amp;W 5Q GC columns</strong></a> provide the lowest bleed standard for GC/MS workflows. This provides less downtime from ion source cleaning, faster conditioning, and minimize reruns due to data quality issues. Figure 5 and 6 highlight thermal stability and sensitivity of the <strong>DB-5Q</strong> and <strong>HP-5Q columns</strong>.</p><h4><strong>Conclusions</strong></h4><p>Optimizing the efficiency and productivity of GC/MS workflows are critical for analytical laboratories to stay competitive and profitable. This poster demonstrated a time savings of 50% with column scaling from a conventional GC/MS column to a high-efficiency column, successful alternative carrier gas method transfer, reducing potential source reactivity when using hydrogen carrier, and demonstrated 3.8 to 7X factor reduction of carrier gas consumption when using software features and the Helium Conservation module.</p><h3><strong>2. EST Analytical: Drinking Water Analysis Conditions for USEPA Method 524.3 and the Newly Proposed Method 524.4</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Purge_and_Trap_Drinking_Water_Analysis_Conditions_for_USEPA_Method_524_3_and_524_4_Agilent_315971a468.pdf"><strong>Full PDF for download</strong></a></li></ul><p>In June 2009, the United States Environmental Protection Agency (USEPA) promulgated a new drinking water method, 524.3. Due to advances in analytical instrumentation, Method 524.3 allows laboratories to modify purge and trap and GCMS conditions. Currently the USEPA is investigating the option of using Nitrogen as the purge gas in a new drinking water method, 524.4. This application note will explore purge and trap conditions for both Helium and Nitrogen purge gases.</p><h4><strong>Discussion: &nbsp;</strong></h4><p>When the USEPA published Method 524.3, they allowed some method flexibility. However, the method still required Helium as the purge gas. Due to fluctuations in the price and availability of high purity Helium, the USEPA has drafted Method 524.4 which would allow for high purity Nitrogen to be used for the purge gas.&nbsp;</p><p>Method 524.4 provides the same flexibility as Method 524.3, thus method parameters can be modified in order to optimize purge and trap cycle times. Although the new method allows for a shorter desorb time, moisture build up can still be a problem as the new preservation scheme causes effervescing in the sparge vessel. EST has two features that can aid in moisture control and the “foaming” caused by the effervescing. First, EST has a foam sensor to detect any issues with foaming. The foam sensor for the Encon Evolution has a unique placement above the bulb of the sparge vessel, thus allowing the bulb to control the effervescing bubbles and not sending a false positive signal to the software causing the sample sequence to be aborted. Secondly, the Encon Evolution utilizes an 8 port valve instead of a 6 port valve. This unique engineering has the advantage of excluding the Moisture Reduction Trap (MoRT) from the desorb pathway thus aiding in moisture control for the system. Furthermore, the Centurion WS has the ability of taking samples from the vials without moving the samples. This eliminates opportunities for vial movement errors that would negatively impact productivity.</p><h4><strong>Experimental:&nbsp;</strong></h4><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2160"><strong>EST Analytical Encon Evolution purge and trap concentrator</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2159"><strong>Centurion WS Autosampler </strong></a>were interfaced to a GC/MSD. The purge and trap concentrator was configured with a Vocarb 3000 (K) analytical trap. A chiller unit capable of keeping the sample vials cooled below 10°C was installed on the Centurion WS autosampler. The experimental parameters are listed in Tables 1 and 2.</p><h4><strong>Conclusion:&nbsp;</strong></h4><p>The Encon Evolution and Centurion WS performed very well using both the Helium and Nitrogen purge gases and the 440ml and 390ml purge volumes. The Nitrogen and the Helium purge gases met USEPA method 524.3 criteria. Furthermore, the 440ml purge volume and the 390ml purge volume produced comparable results. Overall, the principal difference between the two purge gases was exhibited in the compound response. When examining the overall compound response factors over the curve range, it is evident that the analytes’ responses are slightly lower with the Nitrogen purge gas as opposed to the Helium purge gas.</p><h3><strong>3. Shimadzu: Ultra-Sensitive Analysis of β-cyclocitral in Water Using Solid Phase Micro Extraction and Gas Chromatography–Mass Spectrometry</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_09_ssk_022_en_c7d7b3ef8a.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>User Benefits</strong></h4><ul><li>SPME-GC-MS supports effective monitoring of water environments</li><li>Excellent sensitivity, achieving quantification of β-cyclocitral in water within the ultra-trace level</li><li>SPME provides a solvent-free extraction, efficient, and highly sensitive method for detecting β-cyclocitral&nbsp;</li></ul><p>Cyanobacterial blooms, commonly known as algal blooms, cause rivers and lakes to turn vividly green due to the excessive growth of cyanobacteria. This phenomenon is caused by factors such as global population growth, industrial pollution, and rising water temperatures caused by climate change. <sup>1)</sup></p><p>Cyanobacterial blooms produce volatile organic compounds (VOCs) like β-cyclocitral and β-ionone, which cause unpleasant odors and reduce the quality of drinking water and aquatic products. This leads to consumer complaints and economic lossesin aquaculture and water treatment.&nbsp;</p><p>Detecting and quantifying β-cyclocitral (Figure. 1) at trace levels is therefor essential for effective water management. However, conventional solvent extraction methods often fail to detect βcyclocitral, as it requires acidification or heating to be effectively released from the matrix. <sup>2)&nbsp;</sup></p><p>In contrast, solid phase microextraction (SPME) enables efficient detection by facilitating the thermal desorption of β-cyclocitral from sample matrices onto the fiber. Moreover, SPME reduces solvent use and shortens sample preparation time compared to traditional extraction techniques, making it a suitable approach for the analysis of thermally induced volatile compounds like βcyclocitral.&nbsp;</p><p>This application news describes the suitability of β-cyclocitral analysis using SPME automatic injection (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=AOC-6000+Plus"><strong>AOC<sup>TM</sup>-6000 Plus</strong></a>) and <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> of Shimadzu. The developed method enables highly sensitive quantitation of β-cyclocitral, achieving detection at the pg/mL level.</p><h4><strong>Analytical Conditions</strong></h4><p>β-cyclocitral in water was analyzed using <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> of Shimadzu equipped with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=AOC-6000+Plus"><strong>AOC-6000 Plus autosampler</strong></a> as shown in Figure 2. The detailed analytical conditions of instrument was provided in Table 1. For the SPME analysis, 50/30 μm DVB/CAR/PDMS fiber was used, and SH-PolarWax (30 m × 0.25 mm I.D., 0.25 μm) was used as the analytical column. The AOC-6000 Plus supports various injection techniques, including liquid injection, headspace (HS) injection, and solidphase microextraction (SPME) injection. Furthermore, sample preparation and preprocessing in the AOC-6000 Plus are automatically carried out during injection into the GC system, improving efficiency and reproducibility.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>In this application news, SPME-GC-MS method was developed and validated for the ultra-sensitive quantitation of β-cyclocitral in water using the Shimadzu GCMS-QP2020 NX coupled with the AOC-6000 Plus. The method demonstrated quantification capability down to the picogram-per-milliliter (pg/mL) level, excellent linearity (R² &gt; 0.999). Accuracy and precision were confirmed with a recovery of 105.3% and %RSD of 0.7. These results confirm the reliability and suitability of the SPME-GC-MS method for ultra-trace quantification of β-cyclocitral in environmental watersamples.</p>

News from LabRulezGCMS Library - Week 37, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 29th September 2025? 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> EST Analytical, </strong>poster by<strong> Shimadzu </strong>and smart note by <strong>Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: Equimolar Response to ASTM D5623 Relevant Sulfur Compounds</strong></h3><p><strong>Using an </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC"><strong>Agilent 8890 gas chromatograph</strong></a><strong> and </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8355%C2%A0SCD"><strong>8355 sulfur chemiluminescence detector (GC/SCD)</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_equimolar_response_astm_d5623_sulfur_compounds_5994_8562en_agilent_62a37181e4.pdf"><strong>Full PDF for download</strong></a></li></ul><p>For many years, the use of a sulfur-specific detector in the petroleum industry has been invaluable for accurately identifying low levels of sulfur-containing compounds in petroleum at various stages of production.<sup>1</sup> Many environmental and health requirements limit the amount of sulfur allowed in the final petroleum product. The presence of sulfur also has the potential to poison the catalytic processes that take place during petroleum refining.&nbsp;</p><p>Along with the determination of low sulfur levels in a petroleum sample, a detector may also need to measure high sulfur levels and total sulfur content. A detector with a high linear range is essential in making both low-level and high‑level determinations of sulfur in a petroleum sample.&nbsp;</p><p>In this application note, an Agilent 8355 SCD was used to measure 19 sulfur-containing compounds within a standard sample. The 8355 SCD is ideal for the widely used ASTM&nbsp;D5623 method<sup>2</sup> because of its ability to obtain linear and equimolar responses to sulfur compounds with minimal hydrocarbon interference. When comparing the equimolar response of analytes containing different numbers of sulfur atoms, the response should be double for the analytes containing two sulfur atoms compared to those with one&nbsp;sulfur atom.&nbsp;</p><p>Another advantage of the 8355 SCD is the ability to use it in tandem with an FID. This combination allows monitoring solvent elution through the GC system, assisting in the detection of the coelution of solvents with analyte peaks. These coelutions can cause peak distortion, which might be mistaken for activity issues within the GC system.</p><h4><strong>Methods&nbsp;</strong></h4><h5><strong>Instrumentation&nbsp;</strong></h5><p>Two <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC"><strong>Agilent 8890 GC systems</strong></a> were equipped with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8355%C2%A0SCD"><strong>8355&nbsp;SCD</strong></a>. Both GC/SCD systems were run in the same manner to confirm equimolar results. A third GC system was also configured with a tandem flame ionization detector sulfur chemiluminescence detector (FID/SCD) to allow the determination of the solvent peak elution from the system. This third system also served as another confirmation of the equimolar results that were obtained from the other two GC/SCD systems. Sample introduction for all systems was completed with an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7693A+automatic+liquid+sampler"><strong>7693A automatic liquid sampler</strong></a> with a 5 µL syringe. The sample volume for each injection was 1.0 µL. All analyses were performed with a split/splitless inlet in split mode.&nbsp;</p><p>The GC/SCD parameters are provided in Table 1. Note that an Agilent DB-Sulfur SCD GC column (part number G3903-63002) was used in this study because of the low column bleed and excellent inertness and performance for sulfur compound analysis. When using the SCD, be aware that stationary phase bleed from the GC column can lead to fouling of the ceramic tubes within the detector. This phenomenon can cause poor SCD performance, such as decreased sensitivity, and may require more frequent maintenance. Proper GC column selection (such as the DB-Sulfur column) is important to ensure lower column bleed into the detector and will reduce fouling of ceramic tubes, reducing instrument downtime.</p><h4><strong>Results and discussion</strong></h4><h5><strong>Use of GC/FID for solvent elution determination&nbsp;</strong></h5><p>Determination of the solvent peak elution can be a challenge when using a sulfur-selective detector such as the SCD. Many times, the large, fronting solvent peak may coelute with analytes of interest, causing distortion of the analyte peak shape (peak tailing, fronting, or broadening) and poor chromatographic separation. This poor peak shape, caused by column overloading, can be mistaken for activity issues in the system or hydrocarbon interferences, leading to unnecessary troubleshooting or inlet/column maintenance. Determination of the solvent peak elution time is recommended to ensure that coelution does not occur with any of the analytes of interest. To confirm the solvent elution time, a tandem GC/FID/SCD system was used. The GC/FID/SCD system puts the FID in-line before the SCD analysis, allowing the user to obtain both FID and SCD signals from a single injection, thus confirming the solvent retention time and determining any solvent/analyte coelutions.&nbsp;</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The Agilent 8355 sulfur chemiluminescence detector, paired with an Agilent 8890 GC, was evaluated by analyzing 19&nbsp;sulfur‑containing compounds relevant to ASTM D5623. The SCD met the specifications of the test method, including an equimolar response to the analyzed sulfur compounds and a wide range of linearity to a sulfur-containing standard. The 8355 SCD shows excellent area reproducibility, and when used in tandem with a flame ionization detector, the system can aid in the determination of solvent peak elution through the GC system.</p><h3><strong>2. EST Analytical: Reducing Carryover in Environmental Water Samples</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Purge_and_Trap_Reducing_Carryover_in_Environmental_Water_Samples_6e5ba0a008.pdf"><strong>Full PDF for download</strong></a></li></ul><p>In order to mitigate carryover, many environmental labs resort to running sample dilutions or adding blank samples after a highly contaminated sample. Both of these solutions are not ideal and can lead to a loss of analyte detection when diluting or a loss of profits when blank samples need to be run.</p><p>Since, the primary source of carryover for water samples is the sparge vessel, purge and trap manufactures have incorporated a rinsing step in which the sparge vessel is “washed” with hot water in order to clean up the volatile compounds that may still reside in the sparge vessel. Expanding on the idea of limiting volatile compounds in the sparge vessel, EST Analytical developed a patented process of heating the sparge vessel during the bake step of the purge and trap process (Patent Number: US 8,075,842 B1) . This engineering innovation essentially performs two bakes; as a result both the trap and the sparge vessel are “cleaned” at the same time. No other concentrator is or can be engineered to do this.</p><h4><strong>Experimental</strong></h4><p>The sampling system used for this study was the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2160"><strong>EST Analytical Evolution concentrator</strong></a> and the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2159"><strong>Centurion WS autosampler</strong></a>. The concentrator was affixed with a Vocarb 3000 trap and connected to an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=7890A"><strong>Agilent 7890A GC </strong></a>and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=5975C"><strong>5975C inert XL MS</strong></a>. The GC was configured with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=9&amp;search=Rxi-624+Sil+MS"><strong>Restek Rxi-624 Sil</strong></a> MS 30m x 0.25mm x 1.4µm column. Refer to Table 1 for the sampling method parameters and Table 2 for GC/MS parameters.</p><h4><strong>Conclusions</strong></h4><p>The Evolution purge and trap concentrator with its patented technique of heating the sparge vessel during the bake process proved to reduce carryover by almost half when comparing with hot water rinses alone. The advantages of reduced carryover are many. Primary among them is the ability to run more samples during the twelve hour tune window. This increase in productivity translates to more laboratory profits and better use of instrument time.</p><h3><strong>3. Shimadzu / AOAC: Analysis of PFAS in juice using Head-Space Solid Phase Microextraction-Gas Chromatography/Mass Spectrometry (HS-SPME GCMS)</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/aoac_2025_t010_9967ebebff.pdf"><strong>Full PDF for download</strong></a></li></ul><p>PFAS contaminate water and food through packaging that can leach volatile PFAS from plastics and inks or coatings. This work developed a headspace SPME GCMS method to analyze six volatile PFAS classes in juices. The United States Food and Drug Administration has tested for PFAS in a broad range of foods and beverages as part of its Total Diet Study. Juice matrices differ in flavor, sugar, as well as manufacturing practices, and packaging, with the latter two potentially introducing PFAS contamination. The former differences between products can impact PFAS detection.</p><h4><strong>Materials and Methods</strong></h4><p>The SPME method used in this study is based on a method published by Bach et.al. (2016). An HS-SPME method is used to improve method performance when analyzing complex aqueous samples over direct immersion. The optimized parameters of the instrument method for the targeted PFAS are listed in table 1.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-TQ8040+NX"><strong>Shimadzu GCMS-TQ8040 NX triple quadrupole instrument</strong></a>, configured with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=AOC-6000+Plus+SPME"><strong>AOC-6000 Plus SPME</strong></a> unit, was used to measure PFAS in different juice samples. Without isotope dilution, matrix effects caused recoveries to fall outside of acceptable criteria. Method blanks showed no detectable PFAS, and calibration demonstrated excellent linearity (R² ≥ 0.993). This HS-SPME GCMS-TQ8040 NX method demonstrated quantitative capability for analyzing nanogram-per-liter PFAS compounds in complex juice matrices. This application highlights a simple, fast, robust, precise, and accurate workflow for measuring volatile PFAS in challenging matrices.</p><h3><strong>4. Thermo Fisher Scientific: Safe use of carrier hydrogen for air monitoring with Multi-Gas TD-GC-MS</strong></h3><ul><li>Other document (smart note)</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sn_003958_gc_single_quad_gc_ms_isq_7610_environmental_sn003958_na_en_8216fc7021.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Monitoring volatile organic air compounds, also known as hazardous air pollutants (HAPs), is crucial for maintaining air quality in urban and industrial environments due to their significant health risks. The growing concerns about these potentially dangerous volatile organic compounds in ambient air, particularly in urban areas and from industrial emissions, have led to the development of numerous national and international regulations. The use of Thermal Desorption (TD) coupled with GC-MS is the analytical technique of choice to enrich volatile organic compounds from air and quantify them at trace levels.1 In gas chromatography, the choice of carrier gas is pivotal for the separation and detection of VOCs. Helium has traditionally been the preferred carrier gas for analyzing volatile organic air toxics due to its inertness and performance benefits. However, hydrogen is becoming increasingly popular due to economic and supply considerations. Each carrier gas has unique advantages and challenges, and the choice should be guided by specific analytical requirements, cost constraints, and safety protocols. As the demand for sustainable and cost-effective solutions grows, hydrogen is expected to play a more significant role in monitoring hazardous air pollutants in urban and industrial settings.</p><p>Thermal Desorption is an established way to analyze VOCs in a wide variety of sample types. This smart note highlights the use of the new Multi-Gas TD system (Markes International) that allows a safe use of carrier hydrogen for the analysis of VOCs in air, enhancing operational flexibility and supporting more sustainable laboratory practices.&nbsp;</p><h4><strong>Experimental&nbsp;</strong></h4><p>In this study, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=7&amp;search=TD100-xr"><strong>Markes TD100-xr™ Multi-Gas system</strong></a>, coupled with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/486"><strong>Thermo Scientific™ TRACE™ 1610 gas chromatograph</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/484"><strong>Thermo Scientific™ ISQ™ 7610 single quadrupole mass spectrometer,</strong></a> was employed to accurately detect and quantify compounds for effective air monitoring. This combination leverages several technological advancements to optimize analytical performance and operational efficiency.</p><p>The comparison between helium and hydrogen carrier gas was carried out using the same analytical column. The method conditions for all analytes could be easily transferred. Flow rates were adjusted using the split ratio calculator available in the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76"><strong>Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS)</strong></a> Instrument Method Wizard (Figure 1) to maintain the same split level and therefore the same amount of transferred sample. A further factor facilitating rapid adoption of hydrogen carrier gas in laboratories is that existing columns and consumables can be used without restrictions.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The use of the Markes TD100-xr Multi-Gas system combined with the ISQ 7610 GC-MS for the analysis of VOC in air allows for a safe use of carrier hydrogen, making it a viable alternative to helium and offering an effective solution for laboratories facing the challenges of helium scarcity and rising costs, while maintaining the accuracy and reliability of VOC detection and quantification.&nbsp;</p><ul><li>The comparative analysis clearly confirmed that using hydrogen carrier gas in gas chromatography offers substantial benefits over helium. The significant reduction in retention time, as shown by the 60% decrease for 1,2,3-trichlorobenzene, leads to faster analysis without compromising the separation efficiency.&nbsp;</li><li>Enabling shorter analysis time, hydrogen enhances laboratory productivity, reduces costs, and contributes to more sustainable practices.&nbsp;</li><li>The results also indicate that both helium and hydrogen can be used effectively as carrier gases without impacting the response linearity for the VOC compounds under evaluation. Laboratories can confidently use hydrogen as an alternative to helium for quantitative analysis, ensuring accurate and reliable analytical results.</li><li>When using multiple carrier gases, the ISQ 7610 NeverVent technology is key to easily switching from helium to hydrogen and back to helium with no venting required, making this operation very quick and safe.&nbsp;</li></ul><p>In conclusion, coupling the Markes TD100-xr Multi-Gas system with the ISQ 7610 single quadrupole GC-MS offers a robust and flexible solution for air monitoring. This integration enhances operational efficiency, reduces costs, and maintains high data integrity, making it an invaluable tool for modern analytical laboratories.</p>

News from LabRulezGCMS Library - Week 40, 2025

News from LabRulezGCMS Library - Week 44, 2025

News from LabRulezGCMS Library - Week 06, 2026

Hop (Humulus lupulus L.) Phytochemical Profiles as a Function of Growth Region by HPLC and GC-MS Analysis

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 18th 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>poster by <strong>MDCW / InfoMass</strong> and brochure by <strong>Thermo Fisher Scientific!</strong></p><h3><strong>1. MDCW / InfoMass: Development of a Fully Software-Controlled, Alignment-Free Loop-Delay Thermal Modulator 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_22_Wu_0662310ba1.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>Loop-delay thermal modulation is a well-established approach for comprehensive two-dimensional gas chromatography (GC×GC) and inherently requires precise alignment of the modulation loop. In conventional designs, this alignment must be performed manually by the user, a process that is difficult, time-consuming, and often unreliable, as the modulation loop can shift during operation due to repeated hot-jet gas pulses, leading to misalignment and degraded modulation performance. This work addresses these limitations through a redesigned loop-delay modulator in which precise alignment is ensured intrinsically by the modulator geometry, eliminating user-dependent alignment while improving mechanical stability and operational robustness.&nbsp;</p><h4><strong>Key Improvements &nbsp;</strong></h4><ul><li>Intrinsic loop alignment by geometry, eliminating user-performed alignment&nbsp;</li><li>Mechanically secured loop holder, preventing loop movement during hot-jet gas pulses &nbsp;</li><li>Easy loop winding, simplifying installation and replacement&nbsp;</li><li>No moving mechanical parts, improving robustness and reliability&nbsp;</li><li>Fully software-controlled modulation, including hot-jet temperature, valve timing, modulation period, and cold-jet gas flow&nbsp;</li><li>Programmable cold-jet gas flow, providing indirect control of modulation temperature&nbsp;</li><li>Programmable modulation period, enabling flexible optimization for correcting peak wrap-around.&nbsp;</li><li>Independent of GC controls, enabling standalone operation</li></ul><h4><strong>Installation and Compatibility&nbsp;</strong></h4><p>Precise loop alignment is automatically achieved through the modulator’s mechanical design. The loop remains fixed during operation and is not affected by hot-jet gas pulses. The compact, modular system is compatible with most commercial gas chromatographs and operates independently of GC control hardware and software</p><h3><strong>2. Shimadzu: Simultaneous Analysis of Methoxypyrazines in Processed Tomato Products by GC–MS/MS with SPME Arrow</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_01141_en_78979e911f.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>SPME Arrow enables high-sensitivity determination of methoxypyrazines in processed tomato products by efficiently preconcentrating volatile compounds.</li><li>GC–MS/MS in MRM mode provides isomer selectivity and reliable quantitation of methoxypyrazines, even in complex sample matrices.</li><li>The AOC-6000 Plus multifunctional autosampler automates SPME Arrow injection to increase throughput and improve repeatability.</li></ul><p>In processed vegetable foods and beverages, small changes in aroma and flavor can strongly affect perceived quality. For processed tomato products in particular, a vegetative (green) or hay-like off-flavor is often a key concern. This off-flavor has been linked to methoxypyrazines present at very low levels (ppt levels around 10 ng/L).&nbsp;</p><p>Methoxypyrazines include many closely related analogs. Therefore, a robust quantitative method must deliver both high sensitivity and sufficient selectivity (and/or separation) to handle real matrices.&nbsp;</p><p>In this article, five methoxypyrazines previously detected in vegetables (Table 1) were analyzed using a GC-MS/MS system with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=SPME+Arrow"><strong>SPME Arrow</strong></a> injection method. The method provides stable quantitation at ng/L (ppt) levels, even in complex, interference-rich samples.</p><h4><strong>System Configuration</strong></h4><p>All measurements were performed with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8040+NX"><strong>GCMS-TQ8040 NX triple quadrupole</strong></a> GC–MS/MS system equipped with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=AOC6000+Plus"><strong>AOC6000 Plus</strong></a> multifunctional autosampler (Fig. 1).&nbsp;</p><p>The AOC-6000 Plus supports multiple sample introduction techniques—including liquid injection, headspace, and SPME— and can switch between them automatically based on the method. This flexibility makes it well suited for laboratories that handle many sample types and applications.</p><h4><strong>Conclusion</strong></h4><p>By using an AOC-6000 Plus autosampler with the GCMS-TQ8040 NX system and optimizing the SPME Arrow injection method, five off-flavor methoxypyrazines were successfully measured at ng/L (ppt) levels. Using MRM improved selectivity and enabled isomer-specific analysis, including differentiation of isomers that are difficultto separate by GC alone.&nbsp;</p><p>When applied to real processed tomato products, the method enabled quantitation of 2-methoxy-3,5-dimethylpyrazine (MDMP). This system reduces matrix interference and provides high sensitivity for trace-level off-flavor compounds.</p><h3><strong>3. Thermo Fisher Scientific: Sentinel PRO 710 environmental mass spectrometer Precise real time gas analyzer for toxic volatile organic compounds</strong></h3><ul><li>Product specification</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sentinel_pro_710_spec_sheet_en_886523bfc2.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=3&amp;search=Sentinel+PRO"><strong>Thermo Scientific™ Sentinel PRO Environmental Mass Spectrometer </strong></a>is a highly reliable and versatile gas analyzer ideal for reporting the presence of toxic VOCs from fugitive emissions in industrial settings to ensure worker safety.&nbsp;</p><h5><strong>Fugitive emissions of toxic VOCs&nbsp;</strong></h5><p>Wherever there is potential danger for fugitive emissions of toxic organic vapors from a chemical production unit, regulating authorities often require plants to keep records of ambient vapor concentrations to protect workers from exposure. Various forms of capture include evacuated vessels, organic vapor monitors, or purge and trap devices, all of which require samples to be sent for analysis. Alternatively, electrochemical sensors or open path FT-IR spectroscopy can provide more immediate results. However, none of these technologies are capable of providing the spatial and temporal resolution required to qualify as actionable information.&nbsp;</p><h5><strong>Analytical platform&nbsp;</strong></h5><p>The primary feature of the Sentinel PRO mass spectrometer is the magnetic sector analyzer. This field-proven technology has demonstrated the strongest performance for industrial on-line gas analysis. Magnetic sector technology offers precision, accuracy, long intervals between calibrations. The new touchscreen interface further enhances usability, providing intuitive in-person operation, simplified maintenance, and real-time data viewing. Multi-role user permissions ensure security and control allowing operators to customize settings based on their specific needs.&nbsp;</p><h5><strong>Comprehensive data collection&nbsp;</strong></h5><p>With speed and precision, the Sentinel PRO analyzer monitors all the critical areas for short-term exposure levels of toxic VOCs, and also provides accurate and time-weighted average exposure data. With a high number of sample points available, many can be located close to potential leak points such as valve stems, etc., enabling leak detection and correction before any toxic hazard is created.&nbsp;</p><h5><strong>Membrane inlet mass spectrometry&nbsp;</strong></h5><p>The analyzer is fitted with a membrane inlet to reduce the pressure of the sample air from atmospheric to the working pressure of the enclosed ion source. This allows a method of sample introduction that greatly enhances the system’s sensitivity to VOCs. Since the membrane is more permeable to VOCs than to major air gases, it provides enrichment by several orders of magnitude, enabling detection as low as 5 ppb (species dependent) permits easy membrane replacement during annual routine maintenance to minimize downtime and increase productivity.</p></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 21, 2026

Developing Quick Screening Method to Identify Rice Cultivars with Unique Aromatic Features

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 15th June 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you brochure by <strong>Agilent Technologies, </strong>application note<strong> </strong>by<strong> Shimadzu</strong>, presentation by <strong>MDCW / Institut d’Investigació Sanitària Pere Virgili </strong>and poster by<strong> Waters Corporation!</strong></p><h3><strong>1. Agilent Technologies: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8860B"><strong>Agilent 8860B Gas Chromatograph</strong></a></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ds_8860_gas_chromatograph_5994_9066en_agilent_f4d445178f.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8860B"><strong>Agilent 8860B gas chromatograph</strong></a> delivers reliable, repeatable performance for routine analyses, combining proven GC expertise with simplified operation. A bright color touchscreen provides quick access to system setpoints, configuration details, flowpath information, and live signal plots to easily monitor run progress. For deeper control, the built‑in Agilent GC Assist interface—optimized for tablets, PCs, and mobile devices—offers advanced system intelligence, including remote status checks, self‑guided diagnostics, maintenance tools, and method and sequence&nbsp;editing. The 8860B supports full electronic pneumatics control (EPC) or electronic pneumatics regulation (EPR), enabling precise, automated or electronically adjusted gas management. Both EPC and EPR use robust 7th‑generation microchannel architecture, designed for superior protection against contaminants and improved long-term reliability.</p><h4><strong>GC system capabilities&nbsp;</strong></h4><ul><li><strong>Retention time repeatability: </strong>&lt; 0.03% or 0.003 minutes&nbsp;</li><li><strong>Area repeatability:&nbsp;</strong><ul><li>&lt; 1.0% RSD&nbsp;</li><li>The 8860B display comes with physical start/stop buttons for manual analysis&nbsp;</li><li>Easy access to maintenance and service modes from the GC&nbsp;Assist interface, including autonomous leak checks&nbsp;</li><li>The GC Assist interface provides remote connectivity enabling you to monitor your smart GC system, check system logs, and perform diagnostics tests, from inside or outside the laboratory&nbsp;</li><li>Atmospheric pressure and temperature compensation are built into every system, so results do not change, even when the laboratory environment does.</li></ul></li><li><strong>Simultaneously supports&nbsp;</strong><ul><li>Two inlets&nbsp;</li><li>Three detectors &nbsp;</li><li>Support for up to any combination of three valves total:&nbsp;<ul><li>Up to four heated gas sample valves&nbsp;</li><li>Up to two liquid sampling valves&nbsp;</li></ul></li><li>Dual sample introduction capabilities:&nbsp;<ul><li>Supports two <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7693A"><strong>7693A</strong></a> autoinjectors with capacity for 16&nbsp;sample vials&nbsp;</li><li>Supports one 7693A autoinjector and automatic sampler tray with capacity for 150 sample vials&nbsp;</li><li>Supports one 7650A autoinjector with capacity for 50 sample vials with one 7693A with capacity for 16&nbsp;sample vials&nbsp;</li><li>Supports one <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=PAL3"><strong>PAL3</strong></a> autosampler&nbsp;</li></ul></li></ul></li><li><strong>Instrument dimensions&nbsp;</strong><ul><li><strong>Height:</strong> 49 cm (19.2 in)&nbsp;</li><li><strong>Width:</strong> 58 cm (22.9 in), 68 cm with side-mounted detector&nbsp;</li><li><strong>Depth</strong>: 54 cm (21.3 in)&nbsp;</li><li><strong>Typical weight</strong>: 51 kg (112 lb)</li></ul></li></ul><h3><strong>2. MDCW / Institut d’Investigació Sanitària Pere Virgili: GcDUO: A Batch Processing Framework Integrating PARAFAC and PARAFAC2 for GC×GC-MS Data Analysis</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_10_Llambrich_54914668f8.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The presentation introduces <strong>GcDUO</strong>, an open-source batch-processing framework developed for the analysis of comprehensive two-dimensional gas chromatography–mass spectrometry (GC×GC-MS) data. The tool was designed to address one of the main challenges in GC×GC-MS workflows: extracting meaningful chemical information from highly complex multidimensional datasets while reducing dependence on proprietary software. GcDUO combines the strengths of <strong>PARAFAC</strong> and <strong>PARAFAC2</strong> chemometric algorithms to perform automated peak detection, deconvolution, compound annotation, and quantification across large batches of samples.</p><p>The workflow begins with raw GC×GC-MS data imported from CDF files and converted into a four-dimensional matrix. Regions of interest (ROIs) are automatically selected using a watershed algorithm, allowing relevant chromatographic features to be isolated from the background. PARAFAC decomposition is then applied to separate overlapping compounds into their individual first-dimension retention times, second-dimension retention times, and mass spectra. Compound identification is performed using spectral similarity calculations, retention index information, and comparison against reference libraries, creating a consensus-based annotation strategy that improves confidence in identifications.</p><p>To further improve quantitative performance, GcDUO incorporates a constrained PARAFAC2 approach that can model chromatographic peak shifts between samples while preserving accurate peak integration. The framework was evaluated using benchmark GC×GC datasets containing fragrances, allergens, food-related compounds, and breath-analysis samples. Validation studies showed strong detection and annotation performance, including successful identification of most compounds in independent datasets such as FruityBeer and BreathMix. Quantitative comparisons with the widely used <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41"><strong>ChromaTOF software</strong></a> demonstrated highly comparable retention times and peak areas for a range of volatile compounds, indicating that GcDUO can deliver results similar to established commercial platforms.</p><p>The authors conclude that GcDUO provides a powerful open-source alternative for GC×GC-MS data processing. The framework supports automated deconvolution, annotation, and quantification without requiring strict trilinearity assumptions often associated with traditional chemometric approaches. Although computational cost and user expertise remain important considerations, GcDUO offers performance comparable to gold-standard commercial software while expanding access to advanced GC×GC-MS data analysis for metabolomics, environmental, food, fragrance, and other analytical applications. The software is freely available through GitHub, supporting broader adoption and further development by the scientific community.</p><h3><strong>3. Shimadzu: Discrimination of Coffee Bean Species Based on Aroma Compounds</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_01123_en_c8ac025ba9.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>Qualitative analysis of aroma compounds can be easily performed using the Smart Aroma Database.</li><li>Intuitive statistical analysis and exploration of characteristic compounds are possible using eMSTAT Solution.</li><li>The AOC -6000 multifunctional autosampler system enables the analysis of aroma compounds without sample pretreatment.</li></ul><p>Common coffee bean types are broadly classified into two types: Coffea arabica (Arabica) and Coffea canephora (Robusta). Among them, Arabica is superior in flavor and is highly favored as a specialty beverage. However, in recent years, there have been multiple reports of products sold claiming to be 100% Arabica while being adulterated with Robusta<sup>1)</sup>. A reported method for discriminating between the two is the analysis of lipophilic extracts of coffee beans using a benchtop NMR spectrometer<sup>1)</sup>. This method uses 16-O-Methylcafestol, which is present in Robusta but almost undetectable in Arabica, as a marker. However, it requires complicated pretreatment such as extraction and concentration.&nbsp;</p><p>Therefore, in this Application News, we investigated a method to discriminate between Arabica and Robusta more easily and rapidly using GC-MS/MS and the statistical analysis software eMSTAT Solution.</p><h5><strong>Sample and Analytical Methods&nbsp;</strong></h5><p>Commercially available coffee beans roasted at the same roastery were used as samples. Four brands of Arabica (Kilimanjaro, Brazil Bourbon, Mandheling G1, Brazil No.2 #18) and two brands of Robusta (Vietnam Robusta, Java Robusta) were prepared (Table 1). Each brand was individually crushed with a mill, and 1 g was weighed and sealed in a screw vial.</p><p>Volatile compounds were concentrated and introduced into the GC-MS using the HS-SPME method and then analyzed under the conditions registered in the GC-MS(/MS) Smart Aroma Database (Table 2). The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMSTQ8040+NX"><strong>GCMS-TQTM8040 NX</strong></a> and the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=AOC-6000"><strong>AOC-6000 multifunctional autosampler</strong></a> system were used as the analytical instruments (Fig. 1). To verify whether rapid analysis is possible, a temperature ramp of 10˚C/min was adopted, and a low-polarity column was used to obtain stable retention times for each compound. Data acquisition was performed in Scan mode or MRM mode, and each sample was analyzed three times.</p><h4><strong>Exploration of Characteristic Aroma Compounds for Arabica and Robusta&nbsp;</strong></h4><p>Next, we investigated which compounds contribute to the discrimination between Arabica and Robusta. The PCA score plot (Fig. 4) reflects the differences in the tendencies of each group, with Arabica distributed on the left side and Robusta on the right side, clearly separated along the first principal component (PC1) axis. Referring to the corresponding loading plot, compounds located on the left side of the origin tend to have higher area values in Arabica, which is also positioned on the left in the score plot. On the other hand, compounds on the right side tend to show higher values in Robusta, which is located on the right in the score plot. In other words, the difference in the balance of these compoundsisthe main factorseparating the two groups. First, Arabica was commonly rich in compounds such as 5-Methyl furfural, Acetoin, and Furaneol acetate. MS chromatograms analyzed using LabSolutions Insight GCMS are shown in Fig. 7. In eMSTAT Solution, not only score plots and loading plots but also box plots can be easily drawn, making it possible to easily visualize and compare the distribution tendencies of each compound. From the box plots of the above compounds (Fig. 8), it was visually confirmed that all of them are contained in abundance in Arabica. These compounds are sometimes described as having a roasted or creamy quality, and it can be inferred that this result supports the characteristics of Arabica, which issuperior in aroma and acidity.&nbsp;</p><p>On the other hand, a compound found in abundance in Robusta was p-Vinylguaiacol. This compound is known to cause an offflavor similar to a medicinal odor in sake, and its content was low in Arabica. From this, it was suggested that p-Vinylguaiacol may be one of the compounds contributing to the bitterness and offtastes characteristic of Robusta.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>In this Application News, we investigated the discrimination of coffee bean types based on aroma compounds using the triple quadrupole gas chromatograph mass spectrometer <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMSTQ8040+NX"><strong>GCMSTQ8040 NX</strong></a> and the GC-MS(/MS) <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Smart+Aroma+Database"><strong>Smart Aroma Database</strong></a> for aroma analysis.&nbsp;</p><p>Four types of Arabica and two types of Robusta were analyzed as samples. Analysis using Scan data confirmed a tendency for the two types to separate. Subsequently, data was acquired in MRM mode, which offers higher sensitivity and selectivity, and detailed analysis was performed using the statistical analysis software eMSTAT Solution. As a result, the two groups were clearly separated in PCA and cluster analysis, demonstrating the effectiveness of discrimination by this method. Additionally, a discrimination model was developed and validated, confirming that highly accurate discrimination is possible.&nbsp;</p><p>From the above results, we conclude that the discrimination of coffee beans by aroma compound analysisis highly feasible using this method. Furthermore, this method enables a comprehensive workflow, from discrimination to the identification of characteristic compoundsfor each type.</p><h3><strong>4. Waters Corporation: Improvements to the Analysis of PBDEs in Environmental Matrices: Transitioning from EI Magnetic Sector to GC-APCI TQ MS/MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009372_7abfa9f0e9.pdf"><strong>Full PDF for download</strong></a></li></ul><p>This poster evaluates the transition of polybrominated diphenyl ether (PBDE) analysis in environmental samples from traditional electron ionization high-resolution magnetic sector GC-MS to a modern <strong>GC-APCI triple quadrupole MS/MS (GC-APCI TQ MS/MS)</strong> workflow. PBDE flame retardants are highly regulated due to their environmental persistence and potential health risks, making accurate and reliable analytical methods essential. The study investigated whether a GC-APCI MS/MS approach could match or exceed the performance of established GC-HRMS methods while offering greater flexibility and modernization opportunities.</p><p>The method was developed on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/554"><strong>Waters Xevo TQ Absolute mass spectrometer</strong> </a>equipped with APCI ionization and an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890 GC</strong></a>. A key innovation was the use of <strong>nitrogen as the carrier gas instead of helium</strong>, helping laboratories reduce dependence on helium supplies and mitigate increasing helium costs. By applying nitrogen flow ramping, the authors maintained chromatographic resolution and runtime comparable to the reference helium-based method without requiring changes in column dimensions. The approach also reduced the risk of thermal degradation of highly brominated compounds such as BDE 209 and achieved faster elution while preserving peak shape and separation quality.</p><p>For quantitative analysis, up to six MRM transitions per analyte were monitored, taking advantage of the characteristic isotope patterns of brominated compounds. The use of multiple transitions improved selectivity and sensitivity, while Waters waters_connect software enabled summation of MRM signals to enhance signal-to-noise ratios near detection limits. Excellent calibration performance was achieved across more than three orders of magnitude, with correlation coefficients above 0.999 for all analytes. Internal standards and recovery standards demonstrated strong reproducibility, and quality control samples showed precision typically below 15% RSD and acceptable accuracy across low, medium, and high concentration levels.</p><p>The authors conclude that an all-nitrogen GC-APCI TQ MS/MS configuration can successfully meet the performance criteria established for PBDE analysis by reference EI GC-HRMS methods. The workflow maintains critical chromatographic separations, delivers accurate quantitative results, and offers a platform that could potentially combine PBDE determination with other halogenated flame retardants in a single analytical method. These findings demonstrate that GC-APCI TQ MS/MS represents a robust and practical modernization strategy for environmental PBDE analysis.</p></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 25, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 6th July 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you brochure by <strong>Agilent Technologies, </strong>presentation by <strong>MDCW / University of Washington </strong>and posters by <strong>Shimadzu / ASMS</strong> and <strong>Thermo Fisher Scientific</strong> <strong>/ ASMS!</strong></p><h3><strong>1. Agilent Technologies: Operational efficiency for your GC and GC/MS labs with the Agilent 8860B gas chromatography system</strong></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/br_8860b_gc_5994_9206en_agilent_7b7b766cd2.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The brochure presents the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8860B"><strong>Agilent 8860B GC system</strong></a> as a routine GC and GC/MS platform focused on operational efficiency, reliable performance, intelligent diagnostics, and sustainability. It is positioned as a next-generation GC workhorse for laboratories that need consistent, high-quality data while increasing throughput and reducing downtime. Key performance features include dual sample injection capabilities, improved repeatability for retention time and peak area, electronic pneumatics control, retention time locking for method transfer, and a built-in oven light to simplify maintenance and column installation.</p><p>A major theme is <strong>instrument intelligence</strong> through the Agilent GC Assist interface. The system provides browser-based access to instrument status, methods, sequences, logs, diagnostics, maintenance information, and help resources. Built-in tools such as early maintenance feedback, system health reporting, automated and user-initiated diagnostics, peak evaluation, and self-guided troubleshooting are designed to help laboratories detect issues early, maintain uptime, and reduce the need for expert-level intervention during routine operation.</p><p>The brochure also emphasizes <strong>sustainability and resource management</strong>. The 8860B GC includes gas and power usage reporting, method-based monitoring, alerts for abnormal gas use, and tools for detecting possible leaks or restrictions. Agilent highlights helium conservation options, including a helium conservation module that can reduce helium consumption by switching to an alternative gas during idle periods, as well as support for hydrogen and nitrogen carrier gases with built-in hydrogen safety features. These functions are presented as ways to reduce operating costs, conserve resources, and protect workflows from helium supply disruptions.</p><p>Finally, the brochure describes the broader <strong>Agilent GC ecosystem</strong> around the 8860B. The system supports multiple inlets, detectors, autosamplers, headspace sampling, single quadrupole GC/MS compatibility, OpenLab CDS, DA Express, MassHunter software, Agilent consumables, columns, and CrossLab services. Together, these elements are presented as a complete workflow for routine laboratories that need flexibility, compliance support, service coverage, method consulting, training, and long-term value from their GC investment.</p><h3><strong>2. MDCW / University of Washington: Implementing Tile-Based Fisher Ratio Analysis of GC×GC-TOFMS Data to Obtain a Master Peak Table of All Detected Analyte Compounds in Many Petroleum-Based Samples</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_9_Halvorsen_136808e314.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The presentation describes the development of a chemometric workflow for advanced fuel sample analysis using GC×GC-TOFMS data. The work was carried out by the University of Washington in collaboration with Chevron Technical Center, with the goal of improving the characterization of complex petroleum-based samples. Moving from conventional GC to comprehensive two-dimensional GC increased peak capacity and chromatographic resolution, but also created the need for more advanced methods to generate reliable peak tables across many chemically diverse fuel samples.</p><p>The key method presented is a tile-based Fisher Ratio approach implemented through <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/348"><strong>ChromaTOF Tile</strong></a><strong>.</strong> This method identifies analytes that show statistically significant concentration differences between sample classes. Instead of relying only on peak detection or manual alignment, the workflow uses chromatographic “tiles” to reduce the impact of retention-time shifting and to capture both major and trace-level components. The study included multiple fuel classes, including hydrobate, reformate, naphtha, FCC gasoline, and blanks.</p><p>Because Fisher Ratio values alone do not directly indicate whether a compound is truly detectable, the authors added a blank-based p-testing strategy. Three blank chromatograms were used to estimate background signal distributions for each tile, and confidence intervals were then applied to determine whether each detected hit was present in individual sample classes. This produced a master peak table covering 719 hits across nine fuel sample classes. The results showed good reproducibility, with only 6.3% of classifications being heterogeneous across replicates.</p><p>Overall, the presentation concludes that the tile-based workflow can generate comprehensive and reproducible peak tables with reduced user intervention, while preserving the ability to recover trace analytes in complex petroleum samples. The approach should be broadly applicable to other complex sample types and could also be adapted using chemometric metrics other than Fisher Ratio, depending on the experimental design and analytical goals.</p><h3><strong>3. Shimadzu / ASMS: Is Your Next Sip Safe? A Simple, Rapid Method for Measuring volatile PFAS in Juices.</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/TP_143_Is_Your_Next_Sip_Safe_A_Simple_Rapid_Method_for_Measuring_volatile_PFAS_in_Juices_a6ed9414c0.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Per- and polyfluoroalkyl substances (PFAS) pollution is a growing global concern due to links with adverse health effects, many of which remain poorly understood. 1 Accurate detection and quantification are therefore essential. While PFAS analysis has traditionally focused on water, attention is rapidly expanding to food and beverages, where testing remains limited despite high stakes and increasing regulations. 2 A recent PFAS lawsuit against a juice manufacturer underscored the heightened public scrutiny of PFAS in juices, placing food safety and brand reputation at risk. 3 This study presents a Headspace Solid-Phase Microextraction– Triple Quadrupole Gas Chromatography/Mass Spectrometry (HS-SPME GC/MS/MS) method for PFAS quantitation in juices. GC/MS enables analysis of volatile PFAS unsuitable for LC/MS, while HS-SPME offers rapid analysis with minimal sample preparation in complex matrices.</p><h4><strong>Methods</strong></h4><p>A volatile PFAS analysis method was developed on a <strong>Shimadzu </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8040+NX"><strong>GCMS-TQ8040 NX</strong></a> with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=AOC-6000+Plus"><strong>AOC-6000 Plus multifunctional autosampler</strong></a> equipped with a solid phase microextraction (SPME) module (Figure 1).</p><h4><strong>Results&nbsp;</strong></h4><p>The system was deemed free of contaminants and inferences. None of the target PFAS in the method blank were found in quantifiable concentration. In the study, the calibration curve for each target included at least seven calibrators. Calibration curve results showed a good linear fit for all compounds with coefficient of determination (R2 ) ≥ 0.993. The linear range and R2 of each PFAS target are shown in Table 3.</p><h4><strong>Conclusion</strong></h4><p>Overall, these results demonstrate the robustness and reliability of the method for PFAS analysis in two carton apple juices (Brands X and Y), one plastic bottled apple juice (Brand X), and a berry blend carton juice (Brand X). Given the diversity of matrices evaluated, the method may also be suitable for other beverages, including sports drinks and vitamin-enhanced waters</p><h3><strong>4. Thermo Fisher Scientific / ASMS: Enhanced sensitivity for the quantitative analysis of pesticides using a GC Orbitrap MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_004706_lsms_pesticides_exploris_gc_efs_po004706_asms2026_na_en_5f51b18742.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Detection of pesticide residues in fruits and vegetables is essential for food safety, but it can be challenging in complex, highly pigmented matrices due to interferences. Orbitrap technology provides high resolution and mass accuracy, enabling confident identification of coeluting and isobaric compounds while reducing false results. Furthermore, the FS-HRAM acquisition enables simultaneous quantitation and screening within a single analysis with the capability of retrospective data analysis, allowing laboratories to reprocess datasets for additional or emerging compounds without re-injecting samples. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2419"><strong>Orbitrap Exploris GC S mass spectrometer</strong></a><strong> </strong>features the Thermo Scientific NeverVent Advanced Electron Ionization Source (NVAEI) which offers an improved design providing enhanced sensitivity and robustness, allowing for increased instrument uptime and maximized sample throughput for rapid return on investment (ROI).</p><h4><strong>Materials and methods</strong></h4><h5><strong>Data analysis&nbsp;</strong></h5><p>Data was acquired, processed and reported using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76"><strong>Thermo Scientific Chromeleon Chromatography Data System (CDS) software</strong></a>, which provides integrated instrument control, automated workflows, and an intuitive interface for data analysis, customizable reporting, and compliant data management in accordance with FDA 21 CFR Part 11 and European Commission (EU) Annex 11. Its advanced reprocessing capability streamlines sequence setup, data review, and reporting offering the possibility to easily flag and check compliance with the current regulations.</p><p>Results Compliant analyte identification The use of HRAM-GCMS reduces the matrix interferences ensuring a confident and selective identification of analytes (Figure 1). All target compounds satisfied the SANTE criteria at the default MRL of 10 µg/kg and more than 90% were confirmed at concentrations of 1 µg/kg following the SANTE/11312/2021v2026 guidance criteria of:&nbsp;</p><ul><li>two ions were detected for each pesticide with mass accuracy ≤ 5 ppm with precursor and product ions in the extracted ion chromatograms fully overlapped,&nbsp;</li><li>due to the added value of accurate mass measurement, matching ion ratios is not necessary, however, an ion ratio (IR) deviation within ± 30% (relative) of the average of calibration standards from the same sequence was considered to provide additional support for identification</li><li>retention times (RT) within a tolerance of ± 0.1 minutes</li></ul><p>Sensitivity performance (IDL) and analytical linearity Instrument sensitivity was evaluated using calculated IDLs derived from replicate injections of low-level, matrix-matched standards. The Orbitrap Exploris GC S demonstrated detection limits at levels at or below 0.5 µg/kg for most of the investigated pesticides (Figure 2). Linear dynamic range was evaluated using matrix-matched calibration curves ranging 0.5–200 µg/kg, with each calibration level injected in triplicate. All target analytes demonstrated excellent linearity, with coefficients of determination (R²) &gt; 0.993, response factor (%RSD) values below 20% across the calibration range, and ion ratios (IRs) within ±30% of the average calibration standard values. System suitability for quantitative analysis was confirmed by calculated concentrations within ±20% of expected values and recoveries ranging from 96% to 104%. An example of calibration curve for Aldrin is shown in Figure 3.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>The results obtained in these experiments demonstrate that the Orbitrap Exploris GC S mass spectrometer equipped with NeverVent AEI ion source represents a reliable tool for analysis of pesticides in complex matrices.&nbsp;</p><ul><li>The Orbitrap Exploris GC S offers a simple approach for the multiresidue analysis of pesticides allowing for full-scan acquisition combined with high mass resolving power&nbsp;</li><li>The NeverVent AEI ion source is designed for ultra-trace concentration detection, making it ideal for challenging applications ensuring detection limits at levels at or below 0.5 µg/kg for most of the investigated pesticides&nbsp;</li><li>Confident identification of compounds can be easily achieved through i). high spectral quality, ii). high spectral fidelity, ensuring consistent spectrum independently from concentration, and iii). consistent mass accuracy irrespectively of analyte concentration and time&nbsp;</li><li>System suitability for quantitative analysis was demonstrated with R2 &gt;0.993, RF %RSD across the entire calibration curve &lt; 20, and IRs within ± 30% of the average of calibration standards, calculated amounts within 20% the expected values, and percentage recovery (%) ranging from 96 to 104.</li></ul></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 28, 2026

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European Symposium on Analytical Spectrometry (ESAS) 2026

2026 AOAC INTERNATIONAL Annual Meeting & Exposition

Shimadzu at 2026 AOAC Annual Meeting & Exposition

ICP-MS for Hybrid Photoelectrode Characterization

Modern Methods for Faster Microbial Analysis

Addressing LC Method Optimization - Scaling For Efficiency, Throughput And Reproducibility