<p><strong>Halomethanes (HMs) are key contributors to ozone depletion and climate forcing, yet their natural sources remain undercharacterized. This study examines bioweathered Lopingian Kupferschiefer black shale in SW Poland as a potential source of HM emissions. Rich in fossil organic matter (FOM) and iron-bearing minerals, the shale was found to emit various chlorinated and brominated mono- to tetrahalomethanes.</strong></p><p>Using gas chromatography, the researchers propose a mechanism involving Fe³⁺-catalyzed abiotic reactions with organic precursors and halides. The findings identify a previously unrecognized deep subsurface source of halomethanes and report, for the first time, natural emission of tetrachloromethane.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.estlett.5c00593"><strong>Emissions of Halomethanes from Bioweathered Lopingian Kupferschiefer Black Shale (Fore-Sudetic Monocline, SW Poland)</strong></a></h4><p>Michał Zalesko*, Robert Stasiuk, Renata Matlakowska</p><p>Environ. Sci. Technol. Lett. 2025, XXXX, XXX, XXX-XXX</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acs.estlett.5c00593">https://doi.org/10.1021/acs.estlett.5c00593</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><p>Halogenated methane derivatives (halomethanes, HMs) are significant sources of atmospheric halogens, which play an important role in ozone depletion and contribute to radiative forcing. <a href="javascript:void(0);">(1,2)</a> The most abundant HM in the atmosphere is chloromethane, which is responsible for 16.9% of tropospheric chlorine. <a href="javascript:void(0);">(2)</a> In addition to anthropogenic sources, several natural sources of HMs have been described. <a href="javascript:void(0);">(3,4)</a> However, the amount of naturally produced HMs appears to be underestimated. <a href="javascript:void(0);">(2)</a> Bahlmann et al. (2019) suggest the existence of a major missing source of atmospheric chloromethane. <a href="javascript:void(0);">(5)</a></p><p>Therefore, it is worth considering what other natural sources exist. Studies by Keppler et al. (2000) indicate that HMs were formed from natural organic matter through abiotic processes that were catalyzed by Fe<sup>3+</sup>. <a href="javascript:void(0);">(6,7)</a> In 2009, Huber et al. presented the mechanism of trihalomethane formation from dihydroxylated monocyclic aromatic hydrocarbons (DMAHs) in the presence of Fe<sup>3+</sup> and (H<sub>2</sub>O<sub>2</sub>). The organic compound is oxidized and simultaneously halogenated by halide radicals in the presence of reactive oxygen species (ROS), both arising from a Fenton-like reaction between H<sub>2</sub>O<sub>2</sub>, Fe<sup>3+</sup>, and halides. <a href="javascript:void(0);">(8−10)</a></p><p>In our studies, we consider whether iron-catalyzed HM formation processes can occur in highly mineralized deposits of fossil organic matter (FOM). It is worth noting that FOM, in the form of kerogen, is considered to be the largest reservoir of organic carbon on Earth. It is estimated that kerogen contains ∼15,000,000 Gt of fossil organic carbon, an amount that significantly exceeds the amount (∼4,130 Gt) found in fossil fuels (such as gas, oil and coal). <a href="javascript:void(0);">(11)</a></p><p>This study focuses on the organic-rich deep black shale environment, represented by the Kupferschiefer black shale (BS), which contains both FOM (1–30 wt %, average 6 wt %, corresponding to type II kerogen) and Fe-containing minerals. <a href="javascript:void(0);">(12−14)</a> The extractable fraction of FOM consists of long-chain saturated and unsaturated hydrocarbons, polycyclic aromatic hydrocarbons (PAHs), and acid esters. <a href="javascript:void(0);">(15)</a> The ore minerals in BS are mainly represented by bornite [Cu<sub>5</sub>FeS<sub>4</sub>], chalcocite [Cu<sub>2</sub>S], digenite [Cu<sub>9</sub>S<sub>5</sub>], chalcopyrite [CuFeS<sub>2</sub>], pyrite [FeS<sub>2</sub>], sphalerite [ZnS], galena [PbS], covellite [CuS], and minerals from the tennantite–tetrahedrite series [(Cu, Fe)<sub>12</sub>As<sub>4</sub>S<sub>13</sub>–(Cu, Fe)<sub>12</sub>Sb<sub>4</sub>S<sub>13</sub>]. <a href="javascript:void(0);">(16)</a></p><p>Previous studies indicate colonization by microorganisms and the bioweathering of outcropped Kupferschiefer BS profiles. <a href="javascript:void(0);">(15)</a> This study confirmed that FOM underwent enzymatic oxidation, mediated primarily by chemoorganoheterotrophic bacteria. Furthermore, the dissimilative enzymatic oxidation of primary sulfidic minerals by chemolithotrophic bacteria was detected.</p><p>This study aims to investigate whether bioweathered BS can be a source of HM emissions. In addition, we attempted to predict potential substrates and factors of HM formation. As sources of these substrates and factors, we considered BS bioweathering products and mine water (MW) (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.estlett.5c00593/suppl_file/ez5c00593_si_001.pdf">Figure SI1/1</a>): (1) as potential substrates, we indicated monocyclic aromatic hydrocarbons (MAHs) formed by FOM bioweathering; (2) as a halogenation factor, we indicated Fe<sup>3+</sup> arising from the oxidation of primary Fe<sup>2+</sup>-containing minerals; (3) as a source of halides, we indicated high saline MW and secondary minerals on the surface of weathered BS.</p><p>In order to achieve these objectives, we studied bioweathered BS covered by secondary minerals and MW. The following studies were conducted: (1) detection and identification of HMs; (2) prediction of MAHs in FOM extracted from bioweathered BS and MW; (3) detection of Fe and halides in bioweathered BS and MW; and (4) Fe<sup>3+</sup> and halide detection in secondary minerals present on the surface of bioweathered BS.</p><p>This experimental approach has enabled us to propose a hypothetical mechanism of HM formation in deep underground environments and reveal a previously unknown natural source of HMs.</p><h4><strong>Methods and Materials</strong></h4><h5><strong>Extraction of Volatile Organic Compounds</strong></h5><p>Volatile organic compounds were extracted using a modified EPA Method 5021A (2014). <a href="javascript:void(0);">(17)</a> A hundred grams of BS were placed in 100 mL bottles with septa, and 50 mL of methanol was added. The mixture was incubated at 50 °C for 72 h. For analysis, gas samples were collected using a gastight syringe (Hamilton Company, USA), or solid-phase microextraction (SPME, 65 μm, PDMS/DVB, Supelco, USA) was used. <a href="javascript:void(0);">(18)</a> More detailed information is provided in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.estlett.5c00593/suppl_file/ez5c00593_si_001.pdf">SI1</a>.</p><h5><strong>Extraction of Bituminous and Dissolved Organic Compounds</strong></h5><p>Organic compounds were extracted from BS and MW using a mixture of dichloromethane/methanol with an automatic Soxhlet apparatus (SER 158, Velp, Italy) and chloroform in a separatory funnel, respectively. More detailed information is provided in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.estlett.5c00593/suppl_file/ez5c00593_si_001.pdf">SI1</a>.</p><h5><strong>Gas Chromatography with Mass Spectrometry (GC-MS) and Electron Capture Detector (GC-ECD)</strong></h5><p>Volatile compounds were analyzed using GC-MS (Agilent <strong>GC</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7890A"><strong>7890A</strong></a>, <strong>MS</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5975c"><strong>5975c</strong></a>, Agilent Technologies, USA) and<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=+GC-ECD"><strong> GC-ECD </strong></a>(GC 7890A, μECD, Agilent Technologies, USA), both equipped with a FS CAP VOCOL column (60 m × 0.25 mm I.D., 1.5 μm film thickness, Supelco, USA) according to modified EPA Method 8260(1986). <a href="javascript:void(0);">(19)</a> Commercial solutions of CH<sub>3</sub>Cl (Restek, Germany), CHCl<sub>2</sub>, and CHCl<sub>3</sub> (VWR Chemicals, USA), as well as the VOA Stock Mix 8260B MegaMix Calibration Mix (Restek, Germany), were used as external standards.</p><p>Compounds extracted from BS and MW were analyzed by GC-MS (Agilent GC 7890A, MS 5975c) using an HP5-MS column (30 m × 0.25 mm I.D., 0.25 μm film thickness, Agilent Technologies, USA). The obtained mass spectra were compared with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/887"><strong>Wiley 3.2 database</strong></a> (The Wiley Registry of Mass Spectral Data, eighth edition). More details are provided in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.estlett.5c00593/suppl_file/ez5c00593_si_001.pdf">SI1</a>.</p><h5><strong>Inductively Coupled Plasma with Mass Spectrometry (ICP-MS)</strong></h5><p>The elemental analysis of the weathered BS and MW was determined by ACME Analytical Laboratories Ltd. (Vancouver, BC, Canada). LF202 Total Whole Rock Characterization with AQ200 add-on (LF302 + LF100-EXT) and SO200 – ICP-MS Analysis of Natural Waters were conducted on BS and MW samples, respectively.</p><h5><strong>X-ray Fluorescence (XRF)</strong></h5><p>Detection of Fe, Cl, and Br in BS was performed by using a Bruker S1 Titan Hand-held ED-XRF Analyzer.</p><h5><strong>Scanning Electron Microscopy (SEM) with Energy Dispersive X-ray Spectroscopy (EDS)</strong></h5><p>Analysis was performed using backscattered and secondary electron techniques with a JEOL JSM-6380LA SEM instrument (JEOL Co., Japan). The chemical composition was determined by using a CAMECA SX100 microprobe (CAMECA, France). More details are provided in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.estlett.5c00593/suppl_file/ez5c00593_si_001.pdf">SI1</a>.</p><h5><strong>X-ray Powder Diffraction (XRD) Analyses</strong></h5><p>XRD analyses of powdered samples were conducted using a PHILIPS X’PERT PRO diffractometer (PANalytical B.V., The Netherlands). The samples were manually ground in an agate mortar, mounted on a standard metal holder, and irradiated with CoKα radiation. Data was collected over a 2Θ range of 2.505° to 95.996° in step-scan mode, with a step size of 0.001° 2Θ and a count time of 1 s per step.</p><h4><strong>Results and Discussion</strong></h4><h5><strong>Identification of HM Emitted from the Weathered BS</strong></h5><p>Using GC-MS with the headspace extraction method, chloromethane and dichloromethane were identified in all BS samples analyzed with high probability (86–94%) (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.estlett.5c00593#fig1">Figure 1</a>; <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.estlett.5c00593/suppl_file/ez5c00593_si_001.pdf">Figure SI2/1</a>). HMs were identified in all GC-ECD analyses. Using SPME, bromodichloromethane, dibromochloromethane, dichloromethane, tetrachloromethane, and trichloromethane were identified in all BS samples. Chloromethane was detected in all BS samples, except BS2, while dibromomethane was present exclusively in BS2. Relative abundance (<i>z</i>-score) analyses indicate higher emissions of HM from samples collected at site TS2 (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.estlett.5c00593#fig1">Figure 1</a>).</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Environ_Sci_Technol_Lett_2025_Figure_1_A_relative_abundance_of_H_Ms_found_in_B_Ss_through_SPME_extraction_and_GC_ECD_analysis_5332017a52.jpg" alt="Environ. Sci. Technol. Lett. 2025: Figure 1. A relative abundance of HMs found in BSs through SPME extraction and GC-ECD analysis. An asterisk indicates compounds identified by GC-MS. GC-ECD chromatograms, a detailed list, and mass spectra of the identified HMs can be found in SI2 (Table SI2/1–2; Figures SI2/1–8). GC-ECD chromatograms of standards and controls can be found in SI2 (Figures SI2/9–11)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Environ_Sci_Technol_Lett_2025_Figure_1_A_relative_abundance_of_H_Ms_found_in_B_Ss_through_SPME_extraction_and_GC_ECD_analysis_5332017a52.jpg 245w," sizes="100vw" width="1750" height="477"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Environ_Sci_Technol_Lett_2025_Figure_SI_2_7_Chromatograms_of_the_volatile_phase_obtained_from_methanol_extracts_of_TS_1_GC_ECD_SPME_43d9f8c91d.jpg" alt="Environ. Sci. Technol. Lett. 2025: Figure SI2/7. Chromatograms of the volatile phase obtained from methanol extracts of TS1 (GC-ECD, SPME)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Environ_Sci_Technol_Lett_2025_Figure_SI_2_7_Chromatograms_of_the_volatile_phase_obtained_from_methanol_extracts_of_TS_1_GC_ECD_SPME_43d9f8c91d.jpg 80w," sizes="100vw" width="563" height="1090"></p><h5><strong>Prediction of Potential Organic Substrates for HM Formation in Bioweathered BS and MW</strong></h5><p>Potential organic substrates were predicted with Level 2 confidence according to Koelmel et al. 2022. <a href="javascript:void(0);">(20)</a> In the extractable fraction of BSs several MAHs are present: benzoic acid and 1,2-dicarboxybenzene derivatives (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.estlett.5c00593#fig2">Figure 2</a>). The MAH compounds may undergo enzymatic oxidation through microbial dioxygenases and monooxygenases to DMAHs, such as protocatechuate and catechol. <a href="javascript:void(0);">(15)</a> Esters of 1,2-dicarboxybenzene acids can be deesterified by bacterial esterases. <a href="javascript:void(0);">(21)</a> In MWs, the diversity of 1,2-dicarboxybenzene derivatives is higher, which may indicate the ongoing degradation and transformation of organic matter (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.estlett.5c00593#fig2">Figure 2</a>). The presence of dioxygenases, monooxygenases and esterases was previously confirmed in a metagenome and metaproteome of microbiocenoses that inhabit the bioweathered BS. <a href="javascript:void(0);">(15)</a></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ENVIRO_3_7fd06dfb40.jpg" alt="Environ. Sci. Technol. Lett. 2025: Figure 2. The abundance of benzoic acid and 1,2-dicarboxylic acid derivatives predicted with Level 2 confidence in BSs and MWs. Mass spectra of the predicted organic compounds are provided in SI3." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ENVIRO_3_7fd06dfb40.jpg 245w," sizes="100vw" width="2100" height="500"></p>

Emissions of Halomethanes from Bioweathered Lopingian Kupferschiefer Black Shale (Fore-Sudetic Monocline, SW Poland)

<p><strong>In the week of August 4, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. MDPI: Developments in Chromatographic Separations for Forensic Analysis</strong></h5><ul><li><strong>Wednesday, August 6, 2025, 15:00 CEST</strong></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5357">Registration</a></li></ul><p>Explore new forensic applications of GC and GC/MS in this expert-led webinar, from xylazine detection to fingerprint age estimation using GC-TOFMS. Free registration with certificate!</p><h5><strong>2. Metrohm: Practical Raman Applications: From Polymers to Process Control</strong></h5><ul><li><strong>Wednesday, August 6, 2025, 19:00 CEST</strong></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5344">Registration</a></li></ul><p>Discover how modern Raman spectroscopy enables real-time, point-of-need chemical analysis with case studies in polymer, carbon, and quantitative routine workflows.</p><h5><strong>3. C&amp;EN: Analysis for Impurities in Fuel Cell Grade Hydrogen by Gas Chromatography</strong></h5><ul><li><strong>Thursday, August 7, 2025, 20:00 CEST</strong></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5303">Registration</a></li></ul><p>Explore how Agilent developed GC methods to analyze trace impurities in fuel cell-grade hydrogen. Learn why purity matters and which techniques ensure reliable hydrogen analysis.</p><h5><strong>4. Agilent Technologies: Ensuring Excellence: Cutting-Edge Techniques for Pharmaceutical Analysis [Spectroscopy]</strong></h5><ul><li><strong>Friday, August 8, 2025, 07:30 CEST</strong></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5310">Registration</a></li></ul><p>Explore UV-Vis, IR, and Raman automation in pharma research. Learn how elemental spectroscopy ensures safety and regulatory compliance in analysis.</p>

Webinars LabRulezGCMS Week 32/2025

<p><strong>Whether you're servicing a GC/MS system or enhancing its performance, having access to high-quality spare parts is essential. Our curated selection includes tested, refurbished, and brand-new components from industry leaders like Agilent, Pfeiffer, and Edwards.</strong></p><p>From turbo pumps to analyzer assemblies with High-Efficiency Sources (HES), this list offers reliable solutions for maintaining vacuum integrity, boosting sensitivity, and ensuring long-term instrument uptime. Explore the detailed offers below and keep your GC/MS running at peak performance.</p><h5><strong>1. Agilent: 5977 EI Extraction Analyzer, G7077-69201 (Tested)</strong></h5><ul><li>Analyzer for Agilent 5977 GC/MS with EI. Ensures optimal performance in electron ionization workflows.</li><li><strong>Price:</strong> €6,875.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar/462">Detailed offer can be found here</a></li></ul><h5><strong>2. Agilent: 5977B HES Analyzer, G7077-67797 (Tested)</strong></h5><ul><li>High-Efficiency Source analyzer for 5977B GC/MSD. Enhances trace sensitivity; ideal for upgrades or service replacements.</li><li><strong>Price:</strong> €6,875.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar/461">Detailed offer can be found here</a></li><li>There are two analyzers of this type available – <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar/478">detailed information about the second one is available here</a>.</li></ul><h5><strong>3. Agilent: EI Extraction Analyzer, Support (G7077-67201) (Refurbished)</strong></h5><ul><li>Refurbished EI analyzer support module for Agilent 5977 GC/MS systems. Reliable component for electron ionization applications.</li><li><strong>Price: </strong>€6,875.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar/384">Detailed offer can be found here</a></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Agilent_EI_Extraction_Analyzer_Support_4ad6b86679.jpg" alt="Agilent: EI Extraction Analyzer, Support (G7077-67201) (Refurbished)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Agilent_EI_Extraction_Analyzer_Support_4ad6b86679.jpg 208w," sizes="100vw" width="1713" height="1285"></p><h5><strong>4. Agilent: GC/QQQ Rear Analyzer with Iris, Support (G7003-67212) (Tested)</strong></h5><ul><li>Rear analyzer assembly with iris for precise ion focusing in Agilent TQ GC/MS systems.</li><li><strong>Price: </strong>€6,875.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar/388">Detailed offer can be found here</a></li></ul><h5><strong>5. Agilent: IDP-10 Scroll pump with Valve for GC/QQQ, G7004-83011 (New)</strong></h5><ul><li>Oil-free scroll pump with integrated valve. Quiet, low-maintenance vacuum source for Agilent GC/QQQ systems.</li><li><strong>Price:</strong> €3,900.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar/441">Detailed offer can be found here</a></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Agilent_IDP_10_Scroll_pump_with_Valve_for_GCQQQ_500f8f64ba.jpg" alt="Agilent: IDP-10 Scroll pump with Valve for GC/QQQ, G7004-83011 (New)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Agilent_IDP_10_Scroll_pump_with_Valve_for_GCQQQ_500f8f64ba.jpg 208w," sizes="100vw" width="1700" height="1275"></p><h5><strong>6. Agilent: Popbridge Turbo Power Supply, G2589-80063 (Tested)</strong></h5><ul><li>OEM power supply for GC/MS. Delivers reliable high-performance power to turbo pumps and associated modules.</li><li><strong>Price:</strong> €1,900.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar/454">Detailed offer can be found here</a></li></ul><h5><strong>7. Agilent: QQQ Front Analyzer w/HES 2.0 Source, G7007-67312 (Tested)</strong></h5><ul><li>Front analyzer with HES 2.0 for Agilent GC/TQ systems. Designed for high ion transmission and enhanced robustness.</li><li><strong>Price:</strong> €6,875.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar/471">Detailed offer can be found here</a></li></ul><h5><strong>8. Agilent: QQQ Front Analyzer with Extractor Assembly, G7000‑67211 (New)</strong></h5><ul><li>OEM front analyzer with extractor lens for Agilent 7000 GC/MS. Boosts MS1 sensitivity and ion focusing efficiency.</li><li><strong>Price: </strong>€10,625.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar/391">Detailed offer can be found here</a></li></ul><h5><strong>9. Agilent: TURBO-V301 Navigator Turbo Pump with Controller (New)</strong></h5><ul><li>Compact, oil-free turbo pump with controller. Ideal for GC/MS, LC/MS and UHV applications.</li><li><strong>Price:</strong> €4,100.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar/379">Detailed offer can be found here</a></li></ul><h5><strong>10. Edwards: nEXT 200D200 V.160W Vacuum Pump (Tested)</strong></h5><ul><li>High-performance turbomolecular pump for MS and microscopy. Tested and suitable for high-vacuum applications.</li><li><strong>Price: </strong>€5,900.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar/456">Detailed offer can be found here</a></li></ul><h5><strong>11. Pfeiffer: Split Flow Pump, PMP03628F, G2597-80310 (Tested)</strong></h5><ul><li>High-efficiency split flow turbo pump for Agilent MS systems. Reliable vacuum solution with tested performance.</li><li><strong>Price:</strong> €5,900.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar/455">Detailed offer can be found here</a></li></ul><h5><strong>12. Pfeiffer: Turbo Pump HiPace 300 for GC 5975 Series, G3170-80162 (Refurbished)</strong></h5><ul><li>Refurbished Pfeiffer HiPace 300 turbo pump. Ensures stable vacuum in Agilent 5975 GC/MS systems with fast pump-down.</li><li><strong>Price:</strong> €6,000.00</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar/444">Detailed offer can be found here</a></li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Agilent_Pfeiffer_turbo_pump_Hi_Pace_300_for_GC_5975_series_9af4071a1e.jpg" alt="Pfeiffer: Turbo Pump HiPace 300 for GC 5975 Series, G3170-80162 (Refurbished)" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Agilent_Pfeiffer_turbo_pump_Hi_Pace_300_for_GC_5975_series_9af4071a1e.jpg 208w," sizes="100vw" width="1600" height="1200"></p>

Top GC/MS Spare Parts on the Marketplace – Tested, Refurbished & New

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 4th August 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, application note </strong>by<strong> Shimadzu, </strong>presentation by<strong> PSL RESEARCH UNIVERSITY / MDCW </strong>and technical note by<strong> Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Investigation and Profiling of the Aroma Components by GC-SICRIT-QTOF&nbsp;</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_6546_gc_sicrit_qtof_aroma_component_asms_2025_thp_157_en_agilent_3b0b61094d.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Volatile aroma components possess significant value in flavor research. Conventional GC-MS analysis, reliant on the NIST library, is more adept at identifying known components. In contrast, LC-QTOF which exhibits strong identification capabilities, demonstrates limited ionization efficiency for volatile substances.</p><p>GC-SICRIT-QTOF, a hybrid technique, synergizes the separation capabilities of GC for volatiles, the ionization strength of SICRIT for alkenes and enols, and the powerful identification capacity of QTOF, highly suitable for the detection and profile of volatile aroma components.</p><h4><strong>Experimental</strong></h4><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=6546+Q-TOF"><strong>Agilent 6546 Q-TOF</strong></a> Mass Spectrometer</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=53&amp;search=SICRIT+ion+source"><strong>SICRIT ion source </strong></a>(Plasmion GmbH, Germany</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8860+GC"><strong>Agilent 8860 GC System</strong></a></li></ul><h4><strong>Results and Discussion</strong></h4><h5><strong>Target Extraction and Confirmation&nbsp;</strong></h5><p>Without sample preparation, volatile aroma components can be directly analyzed 6546 QTOF equipped with the SICRIT ion source, obtain MS and Auto MS/MS spectra within 1 min. For example, in positive ion mode, we can observe [M+H]+ and [M+NH<sub>4</sub> ]<sup>+</sup> ions for common organic solvents such as water, alcohol, acetonitrile and so on. If we spike ethanol vapor to nitrogen gas, less than 0.1% can be detected with 10e4~5 intensity (Figure 1).&nbsp;</p><p>It is also possible to find volatilizable components in complex mixtures. Figure 2 shows some examples. Butanediol is a major component in essence. Besides of alcohol, it is also possible to find esters in Chinese liquor. Alkenes and enols are main aroma components in Sichuan pepper. Their formulas are proved by accurate mass and isotope patterns.</p><h5><strong>GC Coupling for isomers separation</strong></h5><p><span>&nbsp;</span>Pepper samples contain many isomers with the same formula but different aromas. We use 8860 GC to separate these isomers, combined with SICRIT-QTOF for ionization and acquiring mass spectra. The system demonstrates a robust response to the volatile gas components of Sichuan pepper, with a significant number of signals observed in the total ion chromatogram (TIC, Figure 3).&nbsp;</p><p>For the known volatile components, the GC-SICRIT-QTOF system can identify many isomers by quasi-molecular ion extraction. For example, C10H16, includes myrcene with peppery aroma, limonene with the flavor and fragrance of oranges, sabinene with woody and spicy aroma. RT, MS and MS/MS spectra can be used for identification by the support of reference and PCDL database.&nbsp;</p><h4><strong>Conclusions</strong></h4><p>GC-SICRIT-QTOF is a powerful tool for volatile aroma component analysis. It combines the separation capabilities of GC, the ionization strength of SICRIT for low polar components, and the identification power of QTOF.&nbsp;</p><p>Compare to GC-MS, this system shows quasi-molecular ions, which can be used in identification and discover new component using non-targeted extraction. Soft ionization is also suitable for fast screening and profiling without preparation.&nbsp;</p><p>GC-SICRIT-QTOF facilitates the analysis of complex mixtures. It was demonstrated in the research of Sichuan pepper, including the target extraction, unknown analysis and profiling. It will contribute to the development of new food products, fragrances, and other applications in the flavor industry.</p><h3><strong>2. PSL RESEARCH UNIVERSITY / MDCW: TOWARDS A BETTER UNDERSTANDING OF THE BODY VOLATOLOME: FOCUS ON ENDOGENOUS PARAMETERS INFLUENCING BODY VOLATOLOME COMPOSITION&nbsp;</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/FL_06_BOUDADR_FL_06_b8fc54d8f5.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The human body emits a wide range of volatile organic compounds (VOCs), collectively known as the <strong>body volatolome</strong>. This study aimed to better understand how <strong>endogenous parameters</strong>—such as age, sex, and anatomical sampling site—influence the composition of these compounds. Using skin sampling devices (SkinVOCs®) and <strong>comprehensive GC×GC-TOF-MS</strong>, researchers profiled VOCs from different body areas of volunteers while controlling for exogenous factors like deodorants or perfumes.</p><p>Principal Component Analysis (PCA) and Partial Least Squares Discriminant Analysis (PLS-DA) revealed clear distinctions in VOC profiles based on sampling site and age. For instance, <strong>armpit VOCs showed age-dependent differences</strong>, particularly in the levels of steroids and known odor-active molecules like E-3-methyl-2-hexenoic acid. Interestingly, <strong>left-right body symmetry</strong> was confirmed, suggesting that bilateral samples from the same person can be used as replicates. Some molecules were identified as gender-specific, and although some trends contradicted literature findings, most supported age and sex influence on volatolome composition.</p><p>The study concludes that <strong>age- and gender-matched sampling is essential</strong> in clinical volatolomics research to avoid confounding variables. These findings pave the way for developing personalized diagnostics and deeper understanding of skin VOCs in health and disease.</p><h3><strong>3. Shimadzu: Multiresidue Pesticides Analysis in Cumin Seeds Using GCMS-TQ8040 NX&nbsp;</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_06_saip_gc_041_en_d646a1cd78.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Cumin (Cuminum cyminum) has been used as a natural medicine for over 2000 years. It shows anti-inflammatory property and supports the immune system. Cumin seeds (Figure 1) have been widely used as a spice in many food preparations. To fulfil the high-demand of such spices, pesticides are widely used. But their overuse may cause acute and permanent health problems in humans. Therefore, to protect human health, the European Union has set maximum residue limits (MRLs) for the presence of pesticides in cumin seeds[1]. Thus, increasing the importance of having analytical method for determination of residual pesticides present in it.</p><p>This study reports a validated method for the determination of 169 pesticides in cumin seeds of Indian origin using Shimadzu <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> (Figure 2). The multi-residue extraction was performed using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=QuEChERS+extraction+method"><strong>QuEChERS extraction method</strong></a>[2].</p><h4><strong>Materials and Methods&nbsp;</strong></h4><p>The reference standards for this study were procured from Restek with below catalogue number: GC multi-residue pesticides kit – 32562 Cumin seeds procured from local market, were used to prepare matrix-matched calibration standards and spiked samples. This method is validated for criteria as mentioned in SANTE Guidelines[3]. <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>, manufactured by Shimadzu Corporation Japan, was used to quantify residual pesticides in cumin seeds sample.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>A validated method was developed as per SANTE guidelines for determination of 169 pesticidesin cumin seeds. QuEChERS’ extraction was used for quantifying residual pesticides in this complex spice matrix containing essential oils, cuminaldehyde, pigments etc. The instrumental MRM method was effortlessly created using Smart Pesticides Database. The combination of highly sensitive Shimadzu GC-MS/MS and reliable method showed reproducibility &lt; 20% (as per SANTE guidelines) at LOQ levels. This enables its use in testing laboratories for multi-residue analysis in cumin seeds.</p><h3><strong>4. Thermo Fisher Scientific: What is the benefit of high mass resolving power on the Orbitrap Exploris GC Series?&nbsp;</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sl_003312_gc_hram_orbitrap_exploris_240_targeted_gc_sl003312_na_en_8f86e0d919.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Why do I need high mass resolving power from Orbitrap technology?&nbsp;</strong></h4><ul><li>Resolve target analytes from interfering compounds and matrix ions of similar mass.&nbsp;</li><li>Achieve sub-ppm mass accuracy to give data certainty in compound identification.&nbsp;</li><li>Sub-ppm mass accuracy enables narrow mass extraction windows (± 5 ppm) to give high selectivity, which in turn makes peak detection algorithms efficient.&nbsp;</li><li>Easily increase scope of analysis through full scan accurate mass data acquisition (Figure 1).&nbsp;</li><li>Quickly and confidently propose elemental compositions for the identification of unknown features.&nbsp;</li><li>Retrospective data processing of samples long after data acquisition.&nbsp;</li><li>Have high mass resolving power and sensitivity. No compromise.&nbsp;</li></ul><p>With resolving power of up to 240,000 and consistent sub-ppm mass accuracy, the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/473"><strong>Thermo Scientific™ Orbitrap Exploris™ GC 240 mass spectrometer</strong></a> is a unique laboratory tool for targeted and discovery workflows, where screening, quantitation, compound identification, and structural elucidation applications are required.&nbsp;</p><p>High-resolution Orbitrap mass spectrometry has been available with both liquid and gas chromatography for many years and has proven to be a highly valuable analytical technique.1-4 More recently, the technology in gas chromatography moved to join the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Thermo Scientific Orbitrap Exploris Mass Spectrometer</strong></a> series. This new platform of a benchtop hybrid quadrupoleOrbitrap mass spectrometer opens up research opportunities in a system with a significantly reduced footprint, saving both energy and raw materials. The benchtop hybrid quadrupole-Orbitrap mass spectrometer provides new possibilities for increased mass accuracy, sensitivity, and selectivity for GC-amenable compounds. Figure 2 shows how the resolving power is in the ideal range for volatile small molecules, with resolving power increasing with lowering m/z.</p><h4><strong>The impact of mass resolution on selectivity for targeted analysis&nbsp;</strong></h4><p>High-resolution, accurate-mass (HR/AM) experiments typically provide a full scan analysis of a sample, and for small molecule analyses, the scan range is typically 50–600 Da. Orbitrap technology provides the required selectivity to resolve the target compound from other compounds or from matrix ions of similar mass. For targeted compound analysis, the accurate mass of the diagnostic ion is extracted with a narrow mass extraction window (typically &lt; 5 ppm). This narrow window is possible only when the instrument provides sufficient mass accuracy, for which high mass resolving power is essential. However, when two mass profiles overlap, the measured mass profile is the sum of the two individual profiles. This overlap results in the incorrect assignment of the mass of the target compound. The problem is demonstrated in Figure 3, where a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/421"><strong>QuEChERS</strong></a> leek extract in acetonitrile was analyzed four times at resolving powers of 15K, 30K, 60K, and 120K (m/z 200).&nbsp;</p><p>Being able to separate two compounds that are close in mass is one of the significant advantages of high-resolution accurate mass. This is demonstrated in Figures 4A-C where the compounds flurenol methyl ester C<sub>15</sub>H<sub>12</sub>O<sub>3</sub> m/z = 240.0781 and dimetilan C<sub>10</sub>H<sub>16</sub>N<sub>4</sub>O<sub>3</sub> m/z = 240.1217 were analyzed at equal intensity at three different resolving power levels of 30,000, 60,000, and 240,000. The zoomed spectra show excellent separation at all resolution levels, with improvements at 60K and 240K showing the clear benefits. When analyzed at 10:1 ratio (Figure 5), there is still good separation and mass accuracy. The latter reflects the real world where compounds will be at varying intensities, and it is essential that mass accuracy is maintained to make confident identifications.</p>

News from LabRulezGCMS Library - Week 32, 2025

<h3><strong>Introduction: Careers in GC/MS Analytical Chemistry</strong></h3><p><strong>Analytical chemists</strong> specializing in <strong>gas chromatography with mass spectrometry (GC/MS)</strong> work across diverse industries, including forensics, environmental monitoring, petrochemical analysis, food testing, and pharmaceutical QA/QC. Their role is to detect, quantify, and characterize volatile and semi-volatile compounds in complex matrices.</p><h4><strong>What is GC/MS?</strong></h4><p><strong>Gas chromatography-mass spectrometry (GC-MS)</strong> combines the separation power of <strong>gas chromatography</strong> with the detection and identification capabilities of <strong>mass spectrometry</strong>. GC separates components of gaseous or volatile samples, and MS provides molecular weight and structural insights. It's widely used for trace-level analysis of complex mixtures.</p><h4><strong>Key Global Manufacturers of GC/MS Systems</strong></h4><ul><li><strong>Agilent Technologies</strong></li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/324"><strong>Thermo Fisher Scientific</strong></a></li><li><strong>LECO Corporation</strong></li><li><strong>Shimadzu</strong></li><li><strong>Bruker</strong></li><li><strong>Sciex (Triple Quad GC/MS/MS)</strong></li></ul><h3><strong>Job Opportunities in GC/MS</strong></h3><blockquote><p class="cke-user_style-important"><strong>👉</strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/career"><strong>Job details in the CAREER section</strong></a></p><p class="cke-user_style-important"><strong>👉Search and filter in the largest database with over 1,000 jobs in analytical chemistry and laboratory technologies.</strong></p></blockquote><h4>🌎<strong> North America</strong></h4><h5><strong>1. LECO Corporation: Telephone Service Engineer</strong></h5><ul><li>St. Joseph (MI), USA</li><li>Service engineer, Elementary analysis, GC-MS, GC</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/2258"><strong>Job details can be found here</strong></a></li></ul><h5><strong>2. LECO Corporation: Demo Applications Chemist – Separation Science</strong></h5><ul><li>St. Joseph (MI), USA</li><li>Application Specialist, GC, GC-MS</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/2079"><strong>Job details can be found here</strong></a></li></ul><h5><strong>3. LECO Corporation: Separation Science Field Service Engineer - Midwestern</strong></h5><ul><li>Midwestern, USA</li><li>Service engineer, GC, GC-MS</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/2073"><strong>Job details can be found here</strong></a></li></ul><h5><strong>4. Shimadzu: Field Sales Engineer</strong></h5><ul><li>South Carolina – Western North Carolina, USA</li><li>Sales Representative, LC, LC-MS, GC, GC-MS, Spectroscopy</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/2252"><strong>Job details can be found here</strong></a></li></ul><h5><strong>5. Shimadzu: Field Service Engineer (GC, GCMS, TOC)</strong></h5><ul><li>Huntsville (AL), USA</li><li>Service engineer, LC, GC, GC-MS</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/2246"><strong>Job details can be found here</strong></a></li></ul><h5><strong>6. Agilent Technologies: Field Service Engineer - GC/GCMS</strong></h5><ul><li>Remote (MN), USA</li><li>Service engineer, GC, GC-MS</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/2219"><strong>Job details can be found here</strong></a></li></ul><h5><strong>7. Agilent Technologies: Product Specialist - Mass Spectrometry</strong></h5><ul><li>Remote, USA</li><li>Product Specialist, GC-MS, LC-MS</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/2210"><strong>Job details can be found here</strong></a></li></ul><h4>🌍 <strong>Europe</strong></h4><h5><strong>8. Agilent Technologies: Product Specialist - GC GCMS</strong></h5><ul><li>Basel, Switzerland</li><li>Product Specialist, GC, GC-MS</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/2216"><strong>Job details can be found here</strong></a></li></ul><h5><strong>9. Thermo Fisher Scientific: Field Service Engineer</strong></h5><ul><li>Oslo, Norway</li><li>Service engineer, LC, LC-MS, GC, GC-MS, AAS, ICP/OES, ICP/MS</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/2177"><strong>Job details can be found here</strong></a></li></ul><h5><strong>10. Thermo Fisher Scientific: Technical Sales Specialist, GC/GC-MS</strong></h5><ul><li>Remote, Germany</li><li>Sales Representative, GC, GC-MS, Product Specialist</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/2066"><strong>Job details can be found here</strong></a></li></ul><h5><strong>11. Thermo Fisher Scientific: Field Service Engineer For LC/GC/MS</strong></h5><ul><li>Bratislava, Slovakia</li><li>Service engineer, GC, GC-MS, LC, LC-MS</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/968"><strong>Job details can be found here</strong></a></li></ul><h5><strong>12. J. Heyrovsky Institute: Postdoctoral Researcher in Gas Phase Ion Chemistry</strong></h5><ul><li>Prague, Czech Republic</li><li>Academic staff, Analytical chemist, LC-MS, GC-MS</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/1893"><strong>Job details can be found here</strong></a></li></ul><h4>🌏<strong> Asia &amp; Australia</strong></h4><h5><strong>13. Agilent Technologies: Field Service Engineer</strong></h5><ul><li>New Delhi, India</li><li>Service engineer, GC, GC-MS</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/2212"><strong>Job details can be found here</strong></a></li></ul><h5><strong>14. Thermo Fisher Scientific: Account Manager, Chrom &amp; MS</strong></h5><ul><li>Daejeon, South Korea</li><li>Sales Representative, GC, GC-MS, LC, LC-MS</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/2176"><strong>Job details can be found here</strong></a></li></ul><h5><strong>15. Thermo Fisher Scientific: Sales Development Manager (Semicon &amp; Battery)</strong></h5><ul><li>Seoul, South Korea</li><li>Sales Representative, GC, GC-MS, LC, LC-MS</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/2170"><strong>Job details can be found here</strong></a></li></ul><h5><strong>16. Thermo Fisher Scientific: Sales Manager - Mass Spectrometry</strong></h5><ul><li>Remote, Australia</li><li>Sales Representative, LC-MS, GC-MS, AAS, ICP/OES, ICP/MS</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/2175"><strong>Job details can be found here</strong></a></li></ul><h5><strong>17. Eurofins: Senior Chemist (GCMS, LCMS)</strong></h5><ul><li>Mumbai, India</li><li>Analytical chemist, GC-MS, LC-MS</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/710"><strong>Job details can be found here</strong></a></li></ul><h4><strong>Canada</strong></h4><h5><strong>18. Eurofins: GC-MS/MS Specialist</strong></h5><ul><li>Toronto (ON), Canada</li><li>Analytical chemist, GC, GC-MS</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/713"><strong>Job details can be found here</strong></a></li></ul><h5><strong>19. Eurofins: GC Analyst</strong></h5><ul><li>Toronto (ON), Canada</li><li>Analytical chemist, GC, GC-MS, LC, LC-MS, UV-Vis, RAMAN, FTIR</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/job/712"><strong>Job details can be found here</strong></a></li></ul>

Global GC-MS Careers: 19 Job Offers in Gas Chromatography-Mass Spectrometry

<p><strong>Agavins, recently characterized fructans, can be rapidly detected using FT-MIR, while GC-MS offers valuable structural information. This study integrated data from both techniques to characterize agavins metabolism in </strong><i><strong>Agave angustifolia</strong></i><strong> and </strong><i><strong>Agave potatorum</strong></i><strong>. FT-MIR efficiently revealed species and age differences, while GC-MS glycosidic linkage analysis proved highly effective for multivariate data analysis.</strong></p><p>Correlation of specific MIR spectral regions with GC-MS structural features enhanced the structural detail obtainable from IR data. This integrated approach offers a faster, more comprehensive method for studying agavins metabolism and could accelerate research on these unique fructans.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c01074"><strong>Potential of FT-MIR/GC-MS Multivariate Hyphenation for the Fast Characterization of Agavins Metabolism</strong></a></h4><p>Luis F. Salomé-Abarca, Ruth E. Márquez-López, Patricia A. Santiago-García, Mercedes G. López*</p><p>Anal. Chem. 2025, XXXX, XXX, XXX-XXX</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acs.analchem.5c01074">https://doi.org/10.1021/acs.analchem.5c01074</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><p>Fructans are polymers made of fructose, if any, with one glucose in their structures. <a href="javascript:void(0);">(1)</a> Fructans are classified as linear inulins (β2→1) and levan (β2→6) with terminal glucose; neo-series of inulins and levan with internal glucose; moderate branched graminans (β2→1/β2→6); and agavins, highly branched neo-fructans. <a href="javascript:void(0);">(2,3)</a> Agavins are of great interest because of their metabolic effects and correlation with tequila production. <a href="javascript:void(0);">(4−6)</a> Thus, several studies have been conducted on the metabolism of agavins including their biosynthesis, accumulation, applications, and content in agave derived-products. <a href="javascript:void(0);">(7−10)</a> To perform such characterizations, several analytical platforms have been employed, for instance, thin layer chromatography (TLC), high performance thin layer chromatography (HPTLC), high performance liquid chromatography (HPLC), matrix assisted laser desorption ionization mass spectrometry (MALDI-MS), Fourier transform mid infrared spectrometry (FT-MIR), gas chromatography coupled to mass spectrometry (GC-MS), high performance anion exchange chromatography coupled to pulsed amperometric detection (HPAEC-PAD), and nuclear magnetic resonance (NMR). <a href="javascript:void(0);">(9−15)</a></p><p>Each of these techniques possesses advantages and drawbacks. Some examples include the parallel analysis of samples by TLC, but low reproducibility when manually performed. Even the implementation of HPTLC cannot properly separate agavins with a degree of polymerization (DP) higher than 12. <a href="javascript:void(0);">(16)</a> HPLC provides total inulin content data, but it cannot separate agavins with DP higher than four. <a href="javascript:void(0);">(13)</a> Conversely, HPAEC-PAD separates fructans with DP up to 40 units, but it does not provide specific structural data, is time-consuming, and needs standard compounds for identification and quantitation. <a href="javascript:void(0);">(10)</a> Proton NMR (<sup>1</sup>H NMR) is limited to overlapped fructose signals and general DP information obtained by integrating all fructose signals in respect to the glucose anomeric proton. <a href="javascript:void(0);">(2,9,15)</a> On the other hand, carbon and bidimensional experiments provide more valuable structural information, but they are time-consuming. <a href="javascript:void(0);">(2,9,15)</a> GC-MS yields structural and molar contribution data; however, samples need complex and time-consuming derivatization, and the resulting structures depend on the predominant type of fructan in the extracts. <a href="javascript:void(0);">(2,14)</a> Finally, FT-MIR possesses the fastest time of analysis, but its structural information is limited to functional groups. <a href="javascript:void(0);">(17)</a></p><p>Each analytical platform offers a specific time and space view of these molecules. Nonetheless, the study of metabolites and biomolecules tends to become more efficient and more informative. This has been achieved by the creation of new technology or the on- and offline hyphenation of multiple analytical platforms. <a href="javascript:void(0);">(16)</a> In this regard, FT-MIR gathers the fast analysis character of a high throughput approach, and GC-MS provides specific structural data based on glycosidic linkage analysis. <a href="javascript:void(0);">(2)</a> Therefore, this research aimed to evaluate the efficiency of FT-MIR and GC-MS data for the characterization of agavin metabolism and assess the feasibility of their offline hyphenation through multivariate data analysis (MVDA). Finally, we characterize the effect of the type of agavins present in the extracts on the molecular structure prediction and MVDA output. To carry out such a task, we used a previously characterized sample set of fructans extracted from the emblematic <i>Agave potatorum</i> Zucc. and <i>Agave angustifolia</i> Haw. as the model. <a href="javascript:void(0);">(18)</a></p><h4><strong>Materials and Methods</strong></h4><h5><strong>Fourier-Transformed Infrared (FT-IR) Spectroscopy</strong></h5><p>Infrared analysis was performed on a <strong>Nicolet 6700 FTIR</strong> spectrometer (Thermo Scientific) with a single bounce Smart ITR diamond ATR-accessory and a DTGS KBr detector. The IR measurements were recorded by placing 50 mg of each sample on an ATR crystal plate. For all samples (<i>n</i> = 108), 32 scans were performed between 4000 and 650 cm<sup>–1</sup> with nominal resolution of 4 cm<sup>–1</sup> in transmittance mode (%T). The MIR spectra were analyzed with OMNIC software V. 8.3.103 (Thermo Fisher Scientific Inc.). Data were used for spectra interpretation and MVDA. The spectral analysis lasted 4 h and MDVA around 2 days.</p><h5><strong>Glycosidic Linkage Analysis by GC-MS</strong></h5><p>The analysis was performed in a gas chromatograph <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7890B"><strong>7890B </strong></a>(Agilent Technologies) equipped with an automatic liquid sampler 7386B and a selective mass detector 5779A (Agilent Technologies). The separation occurred in an HP5-MS capillary column (30 m × 0.250 mm × 0.25 μm). All conditions were programed as previously described for analysis of fructan samples. <a href="javascript:void(0);">(10)</a></p><h4><strong>Results and Discussion</strong></h4><p>The GC-MS data were further scrutinized by OPLS modeling for the correlation between structural variation, age, Tfru, and °Bx. The best models for age correlation were produced by aFOS in both agave species (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c01074/suppl_file/ac5c01074_si_001.pdf">Figure S8A,B</a>). The models’ <i>Q</i><sup>2</sup> values were 0.97 and 0.98, and <i>p</i>-values of 0.02 and 0.001, respectively for <i>A. potatorum</i> and <i>A. angustifolia</i>. For Tfru correlations, the best models were also produced by aFOS (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c01074/suppl_file/ac5c01074_si_001.pdf">Figure S8C,D</a>) with <i>Q</i><sup>2</sup> values of 0.97 and 0.99, and <i>p</i>-values of 0.02 and 0.0006, respectively for <i>A. potatorum</i> and <i>A. angustifolia</i>. Among the °Bx models, the CF data produced the best one for <i>A. potatorum</i> (<i>Q</i><sup>2</sup> = 0.96, <i>p</i> = 0.00004) (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c01074/suppl_file/ac5c01074_si_001.pdf">Figure S8E</a>). For <i>A. angustifolia</i>, the best model was produced by aFOS (<i>Q</i><sup>2</sup> = 0.91, <i>p</i> = 0.02) (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c01074/suppl_file/ac5c01074_si_001.pdf">Figure S8F</a>).</p><p>Additionally, the VIP-pred-plot determined that the length of inulin chain, branching degree, number of terminal fructose, and levan ramifications are the most correlated structural features of agavins with age increase in <i>A. potatorum</i> (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c01074/suppl_file/ac5c01074_si_001.pdf">Figure S9A</a>). This represented an increase in the agavin DP and their complexity. In the case of <i>A. angustifolia</i>, all previous features, except for inulin chain length, were the most correlated structural features with age. Furthermore, <i>A. angustifolia</i> showed a correlation between age and the content of terminal glucose (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c01074/suppl_file/ac5c01074_si_001.pdf">Figure S9B</a>). This indicated that agavins in this species could possess shorter inulin chains than those of <i>A. potatorum</i> but higher branching frequency and longer levan branches along with a higher activity of sucrose:fructan 6-fructosyltransferase (6-SFT; EC 2.4.1.10). The correlation between terminal glucose and age indicated an important variation in the graminan:agavin ratio, favoring agavins, as the age of <i>A. angustifolia</i> increases. This implied an increase in the activity of fructan:fructan 6G-fructosyltransferase (6G-FFT; EC 2.4.1.243), responsible for synthetizing neo-series. <a href="javascript:void(0);">(36)</a> Differently, larger inulin chains in <i>A. potatorum</i> suggested a higher activity of fructan:fructan 1-fructosyltransferase (1-FFT). This demonstrated the power of GC-MS analysis to discriminate metabolic features between agave species. Therefore, the structural classification obtained by GC-MS can serve as an alternative tool to assign different agave materials for specific industrial purposes, for instance, aFOS-rich agaves for prebiotic production and high-DP-rich agaves as food additives or encapsulant agents. <a href="javascript:void(0);">(33)</a></p><p>As expected, the same variables were correlated in the same magnitude for the correlation of agavin structural variation through age and Tfru (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c01074/suppl_file/ac5c01074_si_001.pdf">Figure S9C,D</a>). Contrastingly, the VIP-pred-plot determined a different correlation order in the °Brix OPLS models. In the case of <i>A. potatorum</i>, internal and terminal glucose were the only two features not correlated to °Bx (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c01074/suppl_file/ac5c01074_si_001.pdf">Figure S9E</a>). This meant that carbohydrates other than graminans or agavins dictate the °Bx variation in <i>A. potatorum</i> through age. In <i>A. angustifolia</i>, levan moieties and internal glucose were not correlated with the increase of °Brix through agave age (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c01074/suppl_file/ac5c01074_si_001.pdf">Figure S9F</a>). This suggested that carbohydrates determining °Brix differences through age possess similar levan branch lengths, and the ratio between graminans and agavins might affect the increase of °Brix in this species. Thus, considering FT-MIR and GC-MS data, we can state that °Bx might be a good Tfru content predictor, however, with limited potential to differentiate fructan structural variation.</p><p>For the first time, PMAAs data have been demonstrated as a tool not only for generating fructan structures but as a valuable chemometric data set. Nonetheless, this approach is time-consuming and needs specialized technical training. Therefore, establishing correlations between GC-MS and FT-MIR data could provide more structural meaning to specific wave numbers or regions, which could be later used for IR data interpretation. To assess the potential correlation between FT-MIR and GC-MS data, OPLS models were constructed setting GC-MS data (peak areas) as “Y” variables, and FT-MIR data (wave numbers) as “X” variables. For <i>A. potatorum</i>, only aFOS data produced validated results. The models for correlating inulin chains, levan chains, and branching degree produced <i>Q</i><sup>2</sup> = 0.98, 0.96, and 0.95, respectively and <i>p</i> ≤ 0.01 (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.5c01074?ref=utm_source=pubsw&amp;utm_medium=web&amp;utm_campaign=IC004_ST0004D_T000549_OA_Microsite_LP&amp;src=IC004_ST0004D_T000549_OA_Microsite_LP#fig2">Figure 2</a>A–C). Interestingly, most of the MIR ranges correlated with those features were overlapped. The ranges included 949–950, 954–956, 995, 1024–1028, 1037–1039, 1077–1078, 1091–1095, and 1106–1107 cm<sup>–1</sup> (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acs.analchem.5c01074/suppl_file/ac5c01074_si_001.pdf">Tables S8–S10</a>). Bands around 950 cm<sup>–1</sup> have been pointed as characteristic α- and β-anomers signals of cyclic carbohydrates. <a href="javascript:void(0);">(22)</a> Transmission at 995 cm<sup>–1</sup> was attributed to coupled vibrations of a −O–C–O–C–O– system. The overlapping ranges might be explained by intrinsic correlations between those structural features. For instance, increasing of the branching points indicates a parallel increase of the inulin chain length. In addition, there will be new levan moieties at each branching point. <a href="javascript:void(0);">(2,10)</a> However, an increase in levan moieties must be interpreted, along with the number of branching points. That is, an equal increase in both features might indicate more branches with short levan chains. Conversely, a small number of branching points and a high amount of levan moieties suggest less ramifications with larger levan chains.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/10_1021_acs_analchem_5c01074_Figure_2_Correlation_analysis_between_FT_MIR_and_GC_MS_data_through_OPLS_analysis_afaabe892e.jpg" alt="10.1021/acs.analchem.5c01074: Figure 2. Correlation analysis between FT-MIR and GC-MS data through OPLS analysis. (A) OPLS analysis for the correlation between inulin moieties and FT-MIR data from aFOS of Agave potatorum. (B) OPLS analysis for the correlation between levan moieties and FT-MIR data from the aFOS of A. potatorum. (C) OPLS analysis for the correlation between the branching degree and FT-MIR data from aFOS of A. potatorum. (D) OPLS analysis for the correlation between branching degree and FT-MIR data from aFOS of Agave angustifolia. (E) OPLS analysis for the correlation between terminal glucose and FT-MIR data from aFOS of A. angustifolia." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_10_1021_acs_analchem_5c01074_Figure_2_Correlation_analysis_between_FT_MIR_and_GC_MS_data_through_OPLS_analysis_afaabe892e.jpg 135w," sizes="100vw" width="1040" height="1200"></p><h4><strong>Conclusions</strong></h4><p>FT-MIR and GC-MS are robust fingerprinting platforms for the characterization of the agave fructan metabolism. FT-MIR determined that agave species are mainly differentiated by their DP-range, especially by HDP-agavins. The lower infraspecific variability of HDP-fructans conferred on them good species-biomarker character. Differently, aFOS represents a better age differentiator in agaves. GC-MS approached by MDVA provided specific linkage variation correlated to age increase, Tfru, °Bx, agave species, and age. Such correlations dilucidated an activity increase of 6G-FFT and 6-SFT in <i>A. angustifolia</i>, and 1-FFT in <i>A. potatorum</i>. Furthermore, correlations established between FT-MIR and GC-MS data corroborated the value of combining these analytical platforms by providing a more structural meaning to MIR signals. This positioned FT-MIR a step further from a common fingerprinting tool. Nonetheless, studies including a larger number of samples must be carried out to produce more robust models. FT-MIR/GC-MS correlations are species-dependent; thus, such correlations must be created for individual agave species. Finally, these correlations proved that most of the agavin structural variation in agave species through age can be profiled by aFOS. This highlights aFOS as the most informative block for the fast fingerprinting of agavins’ metabolism.</p>

Potential of FT-MIR/GC-MS Multivariate Hyphenation for the Fast Characterization of Agavins Metabolism

<p><strong>In the week of August 11, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p class="cke-user_style-important"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p class="cke-user_style-important"><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Separation Science/Wiley Science Solutions: Automate Non-Targeted LC-MS/MS and GC-MS Component Identification</strong></h5><ul><li>Th, 14.8.2025 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5360">Registration</a></li></ul><p>Streamline LC-MS and GC-MS workflows with Wiley’s KnowItAll software—automate unknown identification, search 8.5M+ spectra, and explore real-world application examples in this expert-led session.</p><h5><strong>2. Agilent Technologies: Quantitation Modeling for FTIR and Raman Measurements</strong></h5><ul><li>Th, 14.8.2025 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4927">Registration</a></li></ul><p>Learn how to develop robust models for FTIR quantitative analysis using the Cary 630 FTIR spectrometer and MicroLab FTIR software, including practical guidance and case studies.</p>

Webinars LabRulezGCMS Week 33/2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 11th August 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, application note </strong>by<strong> Shimadzu </strong>and technical note by<strong> Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Fully Automated Workflow for Volatile PFAS Analysis in Food Contact Materials Using GC-Triple Quadrupole</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_7010d_pal_autusampler_pfas_asms_2025_tp_456_en_agilent_50ffdde82b.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The analysis of per- and polyfluoroalkyl substances (PFAS) in food contact materials (FCMs) is crucial due to potential health and environmental concerns. Increased PFAS testing is needed to meet public demands and new regulations. Gas Chromatography coupled with Triple Quadrupole Mass Spectrometry (GC/TQ) offers a robust and sensitive method for detecting volatile PFAS. However, manual sample preparation could pose a bottleneck, impacting lab productivity. This study presents a robust and fully automated method using the PAL3 platform with GC/TQ for quantifying more than 30 volatile PFAS in FCMs, such as paper coffee cups. The automation approach minimizes human error, improving reliability and reproducibility for routine analysis and safety assessments of PFAS in FCMs.</p><h4><strong>Experimental</strong></h4><h5><strong>Automated Sample Preparation</strong>&nbsp;</h5><p>The integrated 120 cm <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=PAL3"><strong>PAL3</strong> <strong>Series 2 RTC autosampler</strong></a><strong>,</strong> paired with the Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7010D+GC%2FMS"><strong>7010D GC/TQ</strong></a>, facilitated a fully automated PFAS quantitation workflow using a paper cup matrix. It served as an automated liquid handling platform for preparing calibration standards, extracting samples, and injecting them into the GC/TQ system, equipped with essential tools and modules.</p><h5><strong>GCMS Instrumentation&nbsp;</strong></h5><p>The 7010D GC/TQ with HES 2.0 ion source was coupled to an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890+GC"><strong>8890 GC</strong></a> system equipped with an MMI inlet and splitless liner (p/n 5190-2293). SWARM autotune optimized the instrument settings. The Agilent 8890 GC, operated in pulsed splitless mode with a splitless inlet liner, was used for analysis. The PAL3-GC/TQ system, managed by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=MassHunter+Acquisition+software"><strong>MassHunter Acquisition 13.0 software</strong></a>, provided an integrated single-software experience. <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=MassHunter+Optimizer"><strong>MassHunter Optimizer</strong></a> was used to obtain MRM transitions for 34 targets, along with collision energies1 . Instrument operating conditions and parameters are given in the table below</p><h4><strong>Conclusions</strong></h4><ul><li>This study demonstrated a robust, fully automated method for analyzing volatile PFAS in FCMs using the PAL3 Series 2 RTC autosampler and Agilent 7010D GC/TQ system.&nbsp;</li><li>Method detection limits (MDL), linearity, retention time (RT) precision, area precision, and QC recovery was performed to assess the workflow performance.&nbsp;</li><li>The MassHunter Optimizer simplified method development, while the HES 2.0 ion source provided exceptional sensitivity, achieving sub-ppb MDLs.&nbsp;</li><li>For all FTOHs, an LOQ of 20 μg/kg with recoveries of 65% to 135% and %RSD &lt; 10% were achieved, highlighting the high extraction efficiency, accuracy and reliability of the automated workflow.&nbsp;</li><li>Automation reduces human errors, decreases chemical usage, and enhances productivity, offering reliable trace-level volatile PFAS monitoring in FCMs for regulatory guidance.</li></ul><h3><strong>2. Shimadzu: Analysis of Benzene and Toluene by </strong><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><strong> Using ASTM D3606&nbsp;</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_00902_en_41581fffcc.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>User Benefits</strong></h4><ul><li>Quantitation of benzene and toluene in fuels based on ASTM D3606 is possible.&nbsp;</li><li>Highly accurate backflush analysis is possible by using the SMI flow device.&nbsp;</li><li>The compact design of the Brevis GC-2050 enables space-saving in the laboratory.</li></ul><p>Benzene and toluene are widely used as feedstocks for chemical products, but due to concerns about their effects on human health, the permissible concentrations of these two compounds are specified in various regulations. ASTM D3606 1) provides two quantification methods (Procedures A and B) for benzene and toluene in automotive fuels. The corresponding concentrations of benzene and toluene are 0.12-5.2 Vol% and 0.4-19.7 Vol% when using Procedure A and 0.10-5.0 Vol% and 2.0-20.0 Vol% when using Procedure B. In this Application News article, benzene and toluene were quantified by Procedure A in ASTM D3606. Satisfactory linearity of the calibration curves and reproducibility of the quantitation values could be obtained for both compounds.</p><h4><strong>System Configuration and Analysis Conditions</strong></h4><p>Table 1 shows the system configuration and analysis conditions. The compact <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> with a width of about 35 cm, can contribute to space-saving in the laboratory while also demonstrating high analytical performance. In procedure A, benzene and toluene are measured with a backflush system using a capillary column. Backflush has the advantage of shortening the analysis time. Fig. 1 shows a schematic diagram of the backflush system. In addition to the FID detector (FID1) connected to the Wax analytical column, a second FID detector (FID2) which is connected to the restrictor tube, is used for monitoring to determine the timing of backflushing. The gas that flows through the columns is supplied from the injection port (SPL) and digital flow controller (AUX-APC). This is connected to discs called an SMI Flow Disc and 2-DET Splitter, which are used to split the flow to the two detectors. The SMI Flow Disc is a flow device for capillary analysis, and has the features of minimal leakage, a low dead volume, a low heat capacity, and inertness. For this reason, the device has the advantages that the temperature inside the device easily follows the temperature of the column oven, and it is also possible to analyze components with high adsorptivity. Before backflushing, the SPL pressure is set high, and during the backflush operation, the gas in the pre-column is made to flow in the reverse direction (backflushed) by changing the pressures of the SPL and AUX-APC. In this experiment, the initial backflush time was set to 3.1 min to match the elution time of toluene (Fig. 2).</p><h4><strong>Conclusion</strong></h4><p>Using the Brevis GC-2050, an analysis of benzene and toluene as specified in ASTM D3606 was conducted. The analysis time could be shortened by using a backflush system. As the quantitation values of benzene and toluene were within the standard range for both reproducibility and repeatability, satisfactory results were obtained.</p><h3><strong>3. Thermo Fisher Scientific: How NeverVent technology enables consistent uptime for continued lab operation&nbsp;</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sl_003311_gc_vacuum_probe_interlock_nevervent_food_beverage_sl003311_na_en_529ea8c8af.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Benefit summary&nbsp;</strong></h4><ul><li>Eliminates unnecessary downtime&nbsp;</li><li>Maintains productivity&nbsp;</li><li>Simplifies maintenance&nbsp;</li><li>Enables disruption-free ionization type change&nbsp;</li><li>Increases ROI</li></ul><h4><strong>What is NeverVent technology and how does it work?&nbsp;</strong></h4><p><strong>Thermo Scientific™ NeverVent ™ technology</strong> is unique to <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products?category=5&amp;manufacturerItems=3"><strong>Thermo Fisher Scientific’s GC-MS products</strong></a>. It allows for routine maintenance, exchange of ionization mode, and direct probe work to be performed without the need to break the vacuum of the mass spectrometer:&nbsp;</p><ul><li><strong>Removing/replacing the ionization source:</strong> Utilizing the vacuum probe interlock (VPI) in combination with an isolation valve, the ionization source can be removed the from the system without venting the MS. The source can either be cleaned or replaced with a spare clean source, and samples can be run without long stabilization times which would be required if the system was vented.&nbsp;</li><li><strong>Changing ionization type: </strong>Using the VPI, the ionization source can be replaced with a different type of ionization source, for example, switching from Electron Ionization (EI) to Chemical ionization (CI) within a few minutes.&nbsp;</li><li><strong>Using direct sampling probes: </strong>The VPI also allows the use of direct probes on some NeverVent GC-MS systems. This enables direct sampling into the MS system, bypassing the GC separation, and is useful in compound characterization and when analyzing very difficult to volatilize samples like oils or metal complexes.&nbsp;</li><li><strong>Changing the GC column without venting: </strong>When performing common column maintenance like trimming, or replacing the column entirely, the V-Lock Source Plug allows the MS to be sealed off from inside the manifold. Columns can be exchanged or maintained without ever breaking vacuum.</li></ul><h4><strong>What are the benefits to NeverVent technology?&nbsp;</strong></h4><p>NeverVent technology allows a significant increase in instrument uptime. On a traditional GC-MS when performing maintenance, such as ionization source cleaning or column exchange, the MS must be vented. Venting the MS introduces air and moisture into the system. Once the maintenance is performed, the system is then pumped back down to vacuum and a stabilization period is required to ensure air and moisture are evacuated from the system. This process often takes overnight to complete and means samples cannot be run until the following day.</p><p>&nbsp;Due to the unique design of a NeverVent GC-MS system, the vacuum is maintained which means samples can be run shortly after the maintenance is performed. This could be the difference betwen running a batch of samples overnight or waiting for a system to be ready to run. Utilizing NeverVent technology eliminates unnecessary instrument downtime due to venting the systems during maintenance, thus increasing productivity. Figure 2 highlights the time savings that can be achieved with NeverVent technology.&nbsp;</p><p>For a typical GC-MS system where maintenance on the source is performed every three months, NeverVent technology can give you an extra four days of operation per year. When adding in column and ionization mode changings, the productivity gains are even more significant.</p>

News from LabRulezGCMS Library - Week 33, 2025

<p><strong>In the week of August 18, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p class="cke-user_style-important"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p class="cke-user_style-important"><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Shimadzu Corporation: Faster, Smarter Analysis For FAMEs And Pesticides</strong></h5><ul><li>We, 20.8.2025 09:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5351">Registration</a></li></ul><p>Explore how Shimadzu’s AOC-6000 Plus and Peakintelligence AI streamline GCMS and LCMS food workflows—boosting speed, throughput, and efficiency in FAME and pesticide analysis.</p><h5><strong>2. Thermo Fisher Scientific: Chromeleon CDS connections – Exploring options for interfaces</strong></h5><ul><li>We, 20.8.2025 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5383">Registration</a></li></ul><p>Learn how to integrate Chromeleon CDS with other software to streamline workflows, boost data integrity, and enhance lab efficiency. Live Q&amp;A with Thermo Fisher experts.</p><h5><strong>3. GERSTEL: Decoding Odors - Detection and Identification</strong></h5><ul><li>Th, 21.8.2025 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5405">Registration</a></li></ul><p>Discover the GERSTEL ODP 4 and ODI software for scent detection and identification using Sensory Directed Analysis, with real-world applications and expert tips.</p><h5><strong>4. Thermo Fisher Scientific: How to process MS data in Chromeleon CDS software</strong></h5><ul><li>Th, 21.8.2025 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5362">Registration</a></li></ul><p>Join us for an insightful webinar on MS Data Processing using Thermo Scientific Chromeleon 7.3.2 software.</p><h5><strong>5. Agilent Technologies: Comprehensive Guide to GC Column Bleed: From Troubleshooting to Prevention</strong></h5><ul><li>Th, 21.8.2025 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5040">Registration</a></li></ul><p>Join us as we distinguish between abnormal and normal bleed as well share some tips and tricks to control your bleed.</p>

Webinars LabRulezGCMS Week 34/2025

<p><strong>Fired cartridge cases are common evidence at shooting crime scenes. While fingerprints are often damaged and insufficient for identification, human scent traces may remain intact even after a gun is fired.</strong></p><p>In this pilot study, a simulated crime scene was created in which a volunteer loaded a weapon before firing. The scent remaining on fired cartridge cases was analyzed and compared to reference samples from several volunteers using olfactronics and olfactorics. Results suggest that scent analysis can support investigations by linking cartridge cases to the individual who handled the ammunition.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c06231"><strong>Analysis of the Human Scent on Fired Cartridge Cases from a Simulated Crime Scene</strong></a></h4><p>Ulrika Malá*, Václav Vokálek, Pavel Vrbka, Jana Čechová, Petra Pojmanová, Oleksii Kaminskyi, Veronika Škeříková, Štěpán Urban</p><p>Anal. Chem. 2025, 97, 7, 3799–3803</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acs.analchem.4c06231">https://doi.org/10.1021/acs.analchem.4c06231</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><p>Forensic olfactronics is a new field of forensic analysis whose aim is to analyze scent samples using advanced analytical chemistry techniques. <a href="javascript:void(0);">(1−3)</a> Unlike olfactorics (the odorology method using specially trained canines), forensic olfactronics is an objective method. On the other hand, the olfactory system of a canine is still more sensitive than the best contemporary instruments of analytical chemistry usable for human scent analysis. This is why both methods should be used for these purposes in the future during criminal investigations, so they can complement each other and be a desirable chain of evidence to present before the court. Cartridge cases are often one of the traces that can appear on the crime scenes usually connected with a shooting, mainly in the cases of very serious crimes. Unfortunately, the fingerprints tend to be partially spoiled; thus, they cannot be compared with the dactyloscopy database. In a previous study, <a href="javascript:void(0);">(4)</a> it was found that the less volatile substances that seem to be more significant for the individual identification of human scent <a href="javascript:void(0);">(5)</a> resist high temperatures for a short time (up to 500 °C for 1 min). That led to a presumption that at least a part of the human scent remaining on the cartridge after loading the gun and even after the gun’s firing would be sufficient for an individual identification. <a href="javascript:void(0);">(4)</a></p><h4><strong>Experimental Section</strong></h4><h5><strong>Instrumentation</strong></h5><p>For this experiment, only one gun type was used (a Sauer 38H, Sauer Sohn Germany, caliber 7.65 Browning, ammunition, type FMJ 73 grs, produced by Sellier Bellot, Czech Republic).</p><p>The samples were measured by a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7980B"><strong>7980B GC two-dimensional gas chromatograph</strong></a> (Agilent, USA) coupled with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=24&amp;search=Pegasus+BT+4D"><strong>Pegasus BT 4D time-of-flight analyzer mass spectrometer</strong></a> (LECO, USA). The columns were connected in reverse order. The primary column was a semipolar <strong>Rtx-200MS</strong> (30 m + 2 m precolumn, Restek, USA), and the secondary column was a nonpolar <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1745"><strong>TG5-HT</strong></a> (1.1 m, Thermo Fisher Scientific, USA). The diameter of the columns was 0.25 mm, and the thickness of the stationary phase was 0.25 μm. Helium (purity 5.5, Linde CZ) was used as a carrier gas for gas chromatography. The sample was injected in a volume of 1 μL in splitless mode (2 min) at a temperature of 280 °C. The temperature gradient on the primary column started at 40 °C, held for 2 min, and ended at 320 °C, held for 10 min. The temperature increased at a rate of 5 °C/min. The temperature on the secondary column was always 5 °C higher than that on the primary column. The modulator between the two columns always had a temperature 15 °C higher than the secondary column. The cryogenic modulation at −80 °C with three modulation periods of 6, 8, and 10 s were used. The carrier gas flow rate was 1.5 mL/min. The interface between GC and MS was heated to 280 °C. The mass detector used electron ionization with an energy of 70 eV ionizing electrons, and the temperature of the ion source was 250 °C. Data collection took place in TIC (total ion current) mode, with a mass interval of 29–800 (<i>m</i>/<i>z</i>); data collection took place at a speed of 200 spectra/s. The time required to elute the solvent was set to 500 s. To increase the detection sensitivity, a 200 V higher voltage was set on the detector compared to tuning. The ratio of the signal and the noise was set at S/N 300.</p><h4><strong>Results and Discussion</strong></h4><p>By comparing the chromatograms of the scent samples collected on the original and the prewashed cartridges, significant differences supporting the necessity of the cleaning procedure before the collection itself were not found. The chromatogram area where the lubricant peaks were found was more concentrated on the original cartridges, but the differences were not significant. From a practical point of view, that is efficient for our experiments, as it gets closer to reality at the crime scene. Other experiments were carried out on nonprewashed ammunition based on these results.<named-content></named-content><named-content></named-content></p><p>Our olfactronic analysis showed successful individual separation/variance between different volunteers on the glass beads (see <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c06231#fig3">Figure 3</a>). However, the system could not link the human scent extracted from the gun-fired cartridge cases to the volunteers. This could have been caused by the different kinds of background material that was provided by glass beads (see <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c06231#fig1">Figure 1</a>) and cartridge cases (see <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.analchem.4c06231#fig2">Figure 2</a>), despite the fact that data editing was done in an attempt to eliminate these differences. Another option could be that even if the significant substances for the identification withstand high temperatures, the explosion heat could slightly change them. Therefore, one of the solutions could be to equalize the conditions before the extraction by heating the glass beads to the same temperature to which the bullets are exposed when fired. Nevertheless, the surface differences from which the unknown trace was collected at the crime scene do not seem to play a significant role. This is important for further investigation, as the cartridge cases remaining at the crime scene could lay on many kinds of surfaces, and the analyses of the evidence must not depend on them. The inconsistency of the result from the previous experiment <a href="javascript:void(0);">(4)</a> where the cartridge cases were successfully linked to the volunteer who had loaded the gun before the shooting could be based on the fact that another mass spectrometer (Pegasus BT-4D) with new commercial software (ChromaTOF, version 5.51.06.0) was used for this experiment. The software having issues with processing the chromatograms (mainly peak areas) may have contributed to the inconsistency.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Anal_Chem_2025_97_7_3799_3803_Figure_1_Chromatogram_of_a_volunteer_s_sample_from_our_small_database_captured_on_the_glass_beads_f34c95896c.jpg" alt="Anal. Chem. 2025, 97, 7, 3799–3803: Figure 1. Chromatogram of a volunteer’s sample from our small database captured on the glass beads. The x axis represents the retention time of the first column [s], and the y axis represents the retention time of the second column [s]. The areas corresponding to individual groups of substances are indicated in the image." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Anal_Chem_2025_97_7_3799_3803_Figure_1_Chromatogram_of_a_volunteer_s_sample_from_our_small_database_captured_on_the_glass_beads_f34c95896c.jpg 215w," sizes="100vw" width="2100" height="1524"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Anal_Chem_2025_97_7_3799_3803_Figure_2_Chromatogram_of_an_unknown_sample_from_the_cartridge_case_736c975356.jpg" alt="Anal. Chem. 2025, 97, 7, 3799–3803: Figure 2. Chromatogram of an unknown sample from the cartridge case. The x axis represents the retention time of the first column [s]; the y axis represents the retention time of the second column [s]. The areas corresponding to individual groups of substances are indicated in the image." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Anal_Chem_2025_97_7_3799_3803_Figure_2_Chromatogram_of_an_unknown_sample_from_the_cartridge_case_736c975356.jpg 207w," sizes="100vw" width="2100" height="1577"></p><h4><strong>Conclusions</strong></h4><p>Two methods for comparing four scent traces from a simulated crime scene with 22 different volunteer scent samples were used. The aim was to find a certain volunteer who loaded the gun using eight analogous cartridges. Four samples of cartridge cases were then subjected to olfactronic analysis. These were collected from a heterogeneous crime scene. These four analogous samples were also compared by trained police canines. The olfactory method was successful and correctly identified the shooter. Both methods indicated that the surface (plastic sheet, wooden palette, and concrete floor) from which the scent traces were collected does not play a significant role in the identification. The results from the forensic olfactronic method showed the ability to distinguish each volunteer sampled on the glass beads; however, it has not yet been possible to link the fired cartridge cases to any of the volunteers. In the future, this problem can be eliminated by solving the problems with processing the peaks with commercial software that comes with the two-dimensional gas chromatograph. On the other hand, the issue could also be solved by equalizing the parameters on both surfaces (cartridge cases and glass beads) by heating the glass beads after the scent is collected on them. This heating would partly simulate the process of firing the gun.</p><p>Additionally, olfactronic identification could also be complemented by a dactyloscopy comparison as well. Since both can be crucial for the investigation and together can form a desirable chain of evidence. The only question is in which order should the methods be used for the optimal analysis of both.</p><p>The future prospects for the study include expanding the research to involve more volunteers and diversifying the types of weapons and ammunition tested. Additionally, further optimization of the sample preparation process is necessary, particularly to determine whether heating the glass beads to simulate gunfire can effectively link unknown samples to the shooter. Finally, addressing the issue of data alignment will be a critical step moving forward.</p>

Analysis of the Human Scent on Fired Cartridge Cases from a Simulated Crime Scene

Article

Product

Events

Webinars

Application

Academy

Video

Poster

Scientists

Plastics

Environment

Food

Water

Health

Presentation

Scientific article

Interview

Toxicology

Popularization

Science and research

Software

Covid-19

Career

Laboratories

Various

Zaměření

Type of News

Focus

Everything from the world of analytical chemistry in one place. We connect people in solving their problems. At Labrulez you will find all the necessary information easily, quickly and clearly. Stop searching and start finding.

Analysis of the Human Scent on Fired Cartridge Cases from a Simulated Crime Scene

Webinars LabRulezGCMS Week 34/2025

News from LabRulezGCMS Library - Week 33, 2025

Webinars LabRulezGCMS Week 33/2025

Potential of FT-MIR/GC-MS Multivariate Hyphenation for the Fast Characterization of Agavins Metabolism

Global GC-MS Careers: 19 Job Offers in Gas Chromatography-Mass Spectrometry

News from LabRulezGCMS Library - Week 32, 2025

Top GC/MS Spare Parts on the Marketplace – Tested, Refurbished & New

Webinars LabRulezGCMS Week 32/2025

Emissions of Halomethanes from Bioweathered Lopingian Kupferschiefer Black Shale (Fore-Sudetic Monocline, SW Poland)

Upcoming events

LECO Training Course Pegasus HRT+ / HRT+ 4D

Agilent Lab Innovation Day for Academia

Thermal Analysis Online Trainings 2026 - TGA-GC/MS

Webinars

The Journey of Safer Science through Safer Labs

Column Confidence: Making the Right Choice for Your GC Needs

Measure smarter, spend less – NIR spectroscopy for polymer analysis