<p><strong>In the week of June 16, 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. Separation Science/Agilent Technologies: At Home on Any Bench: High-Performance GC/MS for Every Lab</strong></h5><ul><li>Tuesday, June 17, 2025, 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5207">Registration</a></li></ul><p>Save space and time while increasing efficiency and throughput with the Agilent 8850 gas chromatograph.</p><h5><strong>2. Thermo Fisher Scientific: Software masterclass: Hints and tips to help optimize your GC-MS</strong></h5><ul><li>Tuesday, June 17, 2025, 13:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5250">Registration</a></li></ul><p>Struggling with GC-MS setup, maintenance, or data review? Learn how to streamline your workflow using Chromeleon software with automation tips for food, environment, and battery labs.</p><h5><strong>3. LECO: Comprehensive Omics Profiling for Volatiles and Uncommon Fatty Acids: from Bees to Microbes</strong></h5><ul><li>Tuesday, June 17, 2025, 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5238">Registration</a></li></ul><p>Explore GC-MS advantages in metabolomics with LECO’s Pegasus BTX - from volatiles to lipid isomers - ideal for diet studies and bee research.</p><h5><strong>4. New Food magazine/Perten: From insight to automation: taking control with Process NIR</strong></h5><ul><li>Wednesday, June 18, 2025, 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5070">Registration</a></li></ul><p>Discover how Process NIR enables real-time process control and automation in food production, boosting efficiency and product consistency.</p><h5><strong>5. Metrohm: Streamlining pharmaceutical analysis with NIR spectroscopy: faster, easier, and more efficient</strong></h5><ul><li>Thursday, June 19, 2025, 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5229">Registration</a></li></ul><p>Learn how NIRS reduces QC costs while maintaining compliance in pharma. Includes real-world examples and live expert Q&amp;A.</p><h5><strong>6. Separation Science/Waters Corporation: Emerging Strategies in PFAS Identification: Advanced Analytical Approaches for Environmental Samples</strong></h5><ul><li>Thursday, June 19, 2025, 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5220">Registration</a></li></ul><p>Discover non-targeted PFAS detection in air, water, and surfaces using ion mobility and high-resolution MS.</p><h5><strong>7. Waters Corporation: Empower Tips: Ask Me Anything About What's New in Empower Software</strong></h5><ul><li>Thursday, June 19, 2025, 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5128">Registration</a></li></ul><p>Join a Q&amp;A to learn about the newest Empower Software features directly from the experts.</p>

Webinars LabRulezGCMS Week 25/2025

News from LabRulezGCMS Library - Week 25, 2025

<p><strong>The aim of the study is to evaluate a previously established quality control (QC) approach for targeted GC–MS analysis of amino acids in human plasma and apply it to human urine samples. Using isotope-labeled internal standards and precise derivatization techniques, the study investigates the accuracy, precision, and robustness of the method under closely matched conditions for both urine and plasma samples.</strong></p><p>The results demonstrate that while untargeted GC–MS metabolomics may not yield reliable quantitative data for amino acids, targeted approaches using isotopologs are indispensable for accurate measurements. The findings support the broader implication that such QC-based targeted GC–MS methods are critical for reliable metabolomic analyses in various biological matrices.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156"><strong>Quality control in GC–MS analysis of amino acids in human urine and plasma: Possible implications for targeted and untargeted metabolomics</strong></a></h4><p>Alexander Bollenbach, Bibiana Beckmann, Dimitrios Tsikas</p><p>Journal of Chromatography B, Volume 1262, 2025, 124661</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1016/j.jchromb.2025.124661">https://doi.org/10.1016/j.jchromb.2025.124661</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>Mass spectrometry (MS)-based technologies including LC-MS, LC-MS/MS, GC–MS and GC–MS/MS are widely used in targeted and untargeted metabolomics studies for the analysis of various classes of metabolites in biological samples such as plasma, serum and urine (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#t0005"><span>Table 1</span></a>). Metabolomics studies are also widely performed on α-amino acids. <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#t0005"><span>Table 1</span></a> indicates that amino acids are an important class of organic analytes studied by the so-called OMICS techniques. Amino acids contain one or two carboxylic acids and at least one primary (NH<sub>2</sub>) or secondary (NH) amine group as exemplarily shown for L-arginine in <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#f0005"><span>Fig. 1</span></a>. In urine, amino acids occur mostly in their free form. Amino acids are soluble in water and in water-miscible organic solvents such as methanol. In aqueous solutions, amino acids are charged at any pH value, i.e., they are zwitterionic, with their carboxylic group(s) being deprotonated and their amine group(s) being protonated (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#f0005"><span>Fig. 1</span></a>). GC–MS analysis of amino acids requires their conversion to charge-free lipophilic derivatives that are readily extractable into GC-compatible, water-immiscible organic, and are volatile and thermally stabile in solvents such as toluene [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0005"><span>[1]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0010"><span>[2]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0015"><span>[3]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0020"><span>[4]</span></a>] (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#f0005"><span>Fig. 1</span></a>).</p><p>Amino acids (AA) can be specifically converted to their methyl esters (Me) by heating in 2&nbsp;M HCl in methanol (CH<sub>3</sub>OH) or deuterated methanol (CD<sub>3</sub>OD) [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0025"><span>5</span></a>]. The reaction products are unlabeled methyl (Me) esters, i.e., d<sub>0</sub>Me-AA, and deuterated Me, i.e., d<sub>3</sub>Me-AA. Amine/imine groups of amino acids are subsequently acylated by using perfluorinated organic anhydrides such as pentafluoropropionic (PFP) anhydride (PFPA) (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#f0010"><span>Fig. 2</span></a>) [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0010"><span>2</span></a>,<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0025"><span>5</span></a>]. The two-step derivatization procedure enables in-situ preparation of d<sub>3</sub>Me-AA for use as internal standards (IS) in quantitative (targeted) GC–MS analyses [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0030"><span>6</span></a>] (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#f0010"><span>Fig. 2</span></a>). These derivatization procedures and the long-term stability of the Me-PFP derivatives in toluene [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0035"><span>7</span></a>] allow for a high-throughput stable-isotope dilution GC–MS analysis of amino acids in biological samples (e.g., urine and plasma) in OMICS-format and at low costs. The utility of the GC–MS method for the high-throughput quantitative measurement of amino acids in human plasma samples in clinical and experimental studies has been reported by our group (e.g., [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0025"><span>[5]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0030"><span>[6]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0035"><span>[7]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0040"><span>[8]</span></a>]).</p><p>Quality control (QC) systems are essential in analytical chemistry in general and in OMICS studies in particular [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0045"><span>[9]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0050"><span>[10]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0055"><span>[11]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0060"><span>[12]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0065"><span>[13]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0070"><span>[14]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0075"><span>[15]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0080"><span>[16]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0085"><span>[17]</span></a>]. <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#t0005"><span>Table 1</span></a> indicates that QC is often applied in metabolomics studies involving amino acid analysis. In previous work, we reported on the development and application of a QC system for the targeted metabolomics GC–MS analysis of amino acids as Me-PFP derivatives in human plasma [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0040"><span>8</span></a>]. In OMICS studies, urine is a considerably less often analyzed matrix compared to serum and plasma (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#t0005"><span>Table 1</span></a>). The aim of the present work was to adapt such a QC system for amino acids analysis in human urine. The main principle of the targeted GC–MS analysis of urinary amino acids for their high-throughput quantitative determination in small-volume human urine and plasma samples in clinical settings is depicted schematically in <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#f0010"><span>Fig. 2</span></a>. It is based on the in-situ preparation of a mixture of desired d<sub>3</sub>Me-AA for use as IS [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0025"><span>5</span></a>], in parallel with the esterification of biological amino acids to their d<sub>0</sub>Me-AA derivatives and their subsequent conversion to their pentafluoropropionyl (PFP) derivatives, i.e., d<sub>3</sub>Me-AA-PFP and d<sub>0</sub>Me-AA-PFP, respectively.</p><p>Another aim of the work was also to investigate and compare GC (e.g., retention time) and MS (e.g., detector response) effects in urine and plasma samples from a clinical study including QC urine samples. On the basis of these results, possible implications for targeted and untargeted metabolomics of amino acids in human urine and plasma were discussed.</p><h4><strong>2. Experimental</strong></h4><h5><strong>2.5. GC–MS conditions and calculations</strong></h5><p>Analyses were performed on a GC–MS apparatus consisting of a single quadrupole mass spectrometer model ISQ, a <strong>Trace 1210 </strong>series gas chromatograph and an <strong>AS1310 autosampler</strong> from ThermoFisher (Dreieich, Germany). A fused-silica capillary column Optima 17 (15&nbsp;m length, 0.25&nbsp;mm I.D., 0.25&nbsp;μm film thickness) from Macherey-Nagel (Düren, Germany) was used. Aliquots (1&nbsp;μL) of toluene extracts were injected in the splitless mode. The injector temperature was kept at 280&nbsp;°C. Helium was used as the carrier (1.0&nbsp;mL/min). The oven temperature was held at 40&nbsp;°C for 0.5&nbsp;min and ramped to 210&nbsp;°C at a rate of 15&nbsp;°C/min and then to 320&nbsp;°C at a rate of 35&nbsp;°C/min. Interface and ion-source temperatures were set to 300&nbsp;°C and 250&nbsp;°C, respectively. Electron energy was 70&nbsp;eV and electron current 50&nbsp;μA. Methane (2.4&nbsp;mL/min) was used as the reagent gas for negative-ion chemical ionization (NICI). Quantitation was performed in the selected-ion monitoring (SIM) mode (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#t0010"><span>Table 2</span></a>). By this GC–MS method, the sum of Cit and Orn (Orn/Cit), the sum of Asn and Asp (Asp/Asn), the sum of Glu and Gln (Glu/Gln), and the sum of Leu and Ile (Leu/Ile) is measured independent of the samples [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0030"><span>6</span></a>].</p><h4><strong>3. Results</strong></h4><h5><strong>3.1. Amino acids concentrations in quality control and study urine samples</strong></h5><p>The concentrations of the amino acids in their stock solutions used in the present work had been standardized as described recently for the targeted GC–MS analysis in human plasma samples [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0040"><span>8</span></a>]. Recall that by this GC–MS method, the sum of Cit and Orn (Orn/Cit), the sum of Asn and Asp (Asp/Asn), and the sum of Glu and Gln (Glu/Gln), due to conversion of Cit to Orn, of Asn to Asp, and of Gln to Glu, is measured [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0030"><span>6</span></a>]. The sum of Leu and Ile (Leu/Ile) is measured due to coelution of the isobaric Leu and Ile. The concentrations of the amino acids determined in the QC urine samples are reported in <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#t0015"><span>Table 3</span></a>.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Journal_of_Chromatography_B_Volume_1262_2025_124661_Table_3_Mean_concentrations_C_m_M_recovery_R_and_coefficient_of_variation_CV_of_the_measurement_8d05a2a0cc.jpg" alt="Journal of Chromatography B, Volume 1262, 2025, 124661: Table 3. Mean concentrations (C, μM), recovery (R, %) and coefficient of variation (CV, %) of the measurement of the listed amino acids (AA) in the four QC urine samples. Recovery is not applicable to QC1." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Journal_of_Chromatography_B_Volume_1262_2025_124661_Table_3_Mean_concentrations_C_m_M_recovery_R_and_coefficient_of_variation_CV_of_the_measurement_8d05a2a0cc.jpg 109w," sizes="100vw" width="784" height="1123"></p><h4><strong>4. Discussion</strong></h4><p>The occurrence of biological amino acids and their metabolites in wide concentration ranges may represent a considerable analytical challenge for their simultaneous quantitative measurement. Only MS-based analytical instrumental techniques such as GC–MS and LC-MS/MS utilize isotopically labelled amino acids (isotopologs) as internal standards for accurate quantitative analysis [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0120"><span>24</span></a>,<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0125"><span>25</span></a>,<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0130"><span>26</span></a>]. Nowadays, synthetic amino acids labelled with a sufficient number of stable isotopes (<sup>2</sup>H, <sup>13</sup>C, <sup>15</sup>N) are commercially available, albeit costly. The concentrations of the amino acids that were measured in human urine and plasma samples by our group (e.g., [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0025"><span>[5]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0030"><span>[6]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0035"><span>[7]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0040"><span>[8]</span></a>]) are within ranges reported by other groups (e.g., [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0010"><span>2</span></a>,<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0015"><span>3</span></a>,<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0020"><span>4</span></a>,<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0135"><span>[27]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0140"><span>[28]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0145"><span>[29]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0150"><span>[30]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0155"><span>[31]</span></a>, <a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0160"><span>[32]</span></a>]) by using different analytical methods including GC–MS and LC-MS/MS. Our group has proposed a practical and cost-saving in-situ preparation method for trideutero-methyl esters (AA-d<sub>3</sub>Me) from commercially available unlabeled amino acids [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0025"><span>5</span></a>]. This method is useful for the preparation of a mixture of desired AA-d<sub>3</sub>Me that enables reliable quantitative GC–MS analysis of amino acids in biological samples (<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#f0010"><span>Fig. 2</span></a>).</p><p>In GC–MS- and LC-MS-based untargeted metabolomics, analytical shortcomings may result from many sources, among others from instrumental drifts [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0165"><span>33</span></a>]. Two kinds of factors have been recognized so far and include 1) GC-related factors, notably shifts in retention time, and 2) MS-related factors, especially variation of detection response. These types of errors and the utility of so-called intrastudy quality control (QC) samples have been recently reviewed and discussed, and helpful recommendations have been proposed [<a target="_blank" rel="noopener noreferrer" href="https://www.sciencedirect.com/science/article/pii/S1570023225002156#bb0165"><span>33</span></a>].</p>

Quality control in GC–MS analysis of amino acids in human urine and plasma: Possible implications for targeted and untargeted metabolomics

<p><strong>In the week of June 23, 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. Separation Science/Agilent Technologies: How to Build Speed and Sustainability into Your GC Methods</strong></h5><ul><li>Tuesday, June 24, 2025, 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5210">Registration</a></li></ul><p>Discover strategies to boost workflow efficiency and productivity while advancing your lab’s sustainability goals.</p><h5><strong>2. Markes International: Fundamentals of Environmental Air Monitoring: Overcoming Challenges in VOC Analysis with Advanced GC-MS Techniques</strong></h5><ul><li>Tuesday, June 24, 2025, 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5209">Registration</a></li></ul><p>Explore how advanced TD–GC–MS methods and versatile sampling tools simplify VOC monitoring, boost data reliability, and help meet evolving environmental regulations with scalable workflows.</p><h5><strong>3. Restek Corporation: Basics of LPGC (Low pressure GC/Vacuum GC)</strong></h5><ul><li>Tuesday, June 24, 2025, 14:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/1420">Registration</a></li></ul><p>In this tutorial the basics of LPGC are discussed and the impact it has on the chromatography of – for example – pesticides in food.</p><h5><strong>4. C&amp;EN/Anton Paar: New MSHA Standard Limiting Silica Exposure: Implications and Guidelines for Compliance</strong></h5><ul><li>Tuesday, June 24, 2025, 19:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5129">Registration</a></li></ul><p>This webinar will summarize the new standard, discuss the required analytical instrumentation and detail the XRD measurement plans.</p><h5><strong>5. Agilent Technologies: Handheld FTIR – Best On-site Chemistry Analysis Solution</strong></h5><ul><li>Tuesday, June 24, 2025, 21:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/2210">Registration</a></li></ul><p>Agilent’s Handheld FTIR spectrometer is a unique and innovative platform for measuring samples on site to yield fast and reliable chemistry analyses.</p><h5><strong>6. Bruker: Photothermal AFM-IR: Enhanced Analysis Capabilities for Life Science Research</strong></h5><ul><li>Wednesday, June 25, 2025, 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5253">Registration</a></li></ul><p>Join us and special guest Dr. Simone Ruggeri for this webinar on Photothermal AFM-IR – Delivering Enhanced Analysis Capabilities for Life Science Research.</p><h5><strong>7. Altium International (HPST)/Agilent Technologies: Overcoming the Analytical Challenges When Testing for PFAS in Water</strong></h5><ul><li>Thursday, June 26, 2025, 12:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5263">Registration</a></li></ul><p>This presentation will outline a range of solutions that Agilent has developed to address PFAS to meet the stipulations of the corresponding EU regulations.</p><h5><strong>8. Agilent Technologies: The Unsung Heroes of Analytical Chemistry: The Vital Role of Autosampler Vials</strong></h5><ul><li>Thursday, June 26, 2025, 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5038">Registration</a></li></ul><p>This presentation will explore the various types of autosampler vials, their material properties, and the impact they have on the overall analytical process.</p><h5><strong>9. Technology Networks/PerkinElmer/Waters Corporation: Panel Discussion: Environmental Pollutants</strong></h5><ul><li>Friday, June 27, 2025, 17:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5272">Registration</a></li></ul><p>Join leading experts for a dynamic panel discussion exploring innovative analytical techniques used in environmental monitoring.</p>

Webinars LabRulezGCMS Week 26/2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 23rd June 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application note by <strong>Shimadzu, </strong>posters by <strong>Agilent Technologies / ASMS </strong>and<strong> Thermo Fisher Scientific / ASMS </strong>and presentation by<strong> William &amp; Mary / MDCW!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Improved Determination of Polychlorinated Biphenyl Compounds by US EPA Method 1628</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_5977c_pcb_hydroinert_column_asms_2025_mp_360_en_agilent_8db06d5b24.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>Polychlorinated Biphenyl (PCBs) and the Environment&nbsp;</strong></h5><p>Polychlorinated Biphenyls (PCBs) are synthesized compounds that belong to the chlorinated hydrocarbon family of compounds. PCBs were used in a variety of industrial applications such as electrical components, plasticizers and pigments/dyes, until they were banned in 1979 by the Toxic Substances Control Act (TSCA)<sup>1</sup> . PCBs are considered to persistent organic pollutants (POPs) as they do not easily degrade in the environment. PCBs can be found in the air, water, and soil and have been known to bioaccumulate in marine life.</p><p>The EPA has recently developed a low-resolution mass spectrometry method that can calibrate 65 PCBs congeners and screens for all 209 using labeled PCB compounds for direct and indirect quantitation<sup>2</sup> . The 65 congeners are targeted for calibration and quantitation due to specific factors described in the method<sup>2</sup> . As with most EPA methods, the prescribed methodology utilizes helium as a carrier gas. The recommended column for this analysis makes adequate separation and quantitation more challenging. To achieve separation that meets the method criteria, the run time is over 40 minutes long. By using a column better suited for PCB congener separation and hydrogen as the carrier gas, superior separation can be achieved in under 20 minutes, resolving previously co-eluting analytes.</p><h4><strong>Experimental&nbsp;</strong></h4><h5><strong>System configuration using hydrogen carrier gas&nbsp;</strong></h5><p>The Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890%2F5977C+GC%2FMSD"><strong>8890/5977C GC/MSD</strong></a> equipped with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=HydroInert+Ion+source"><strong>HydroInert Ion source</strong></a> was operated in selective ion monitoring (SIM) mode for this analysis.</p><h4><strong>Conclusions</strong></h4><h5><strong>Faster Analysis, Superior Separation Achieved&nbsp;</strong></h5><ul><li>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=DB-XLB+column"><strong>DB-XLB column</strong></a> offers enhanced selectivity for PCB congeners, resulting in previously co-eluting congeners to separate.&nbsp;</li><li>Selectivity is easily achieved operating the MSD in SIM mode.&nbsp;</li><li>The method meets the 10ppb detection limit for all the quantified compounds.</li><li>The HydroInert ion source allows hydrogen carrier gas to be used for more rapid analysis.</li></ul><h3><strong>2. Shimadzu: Simultaneous Analysis of Synthetic Musk Compounds in Water Using a Triple Quadrupole GC-MS System</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_09_ssk_020_en_4ae628cef8.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>User Benefits:</strong></p><ul><li>Using a GC-MS/MS, synthetic musk compounds in water can be accurately quantified with high sensitivity.</li><li>Supporting effective environmental monitoring in water and risk assessment using GC-MS/MS</li></ul><p>Synthetic musk compounds (SMCs) are synthetic organic substances designed as substitutes for natural musk and are widely used in various household products. During everyday activities such as showering and washing, these compounds are released into wastewater. However, current wastewater treatment processes cannot completely remove SMCs, allowing them to enter aquatic ecosystems. As highly bio-accumulative organic compounds, SMCs can cause both acute and chronic toxicity in aquatic organisms. They are also known to cause endocrine disruption when accumulated in the human body1-3) . Due to these potential risks, continuous monitoring of SMCs in water is essential. The main analytical methods for detecting SMCs in water include liquid-liquid extraction (LLE), solid-phase extraction (SPE), and solid-phase microextraction (SPME). Liquid-liquid extraction method requires a large amount of solvent and long preparation time but has the advantage of simultaneously extracting multiple organic compounds 4) . In this application news, 15 types of SMCs in water were simultaneously analyzed using the gas chromatography method with liquid-liquid extraction method.</p><h4><strong>Analytical conditions</strong></h4><p>In this newsletter, SMCs in water were analyzed using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-TQ8050+NX"><strong>GCMSTQ8050 NX</strong></a> of SHIMADZU (Figure 1). The instrumental detailed analytical conditions of instrument and the MRM conditions for each compound were shown in Table 1 and 2, respectively.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>The simultaneous analysis of 15 SMCs in water was performed using the SHIMADZU GCMS-8050 NX system. The coefficient of determination(R2) of the calibration curve for all SMCs were 0.99 or higher. The LOD and LOQ were ranged from 0.003 to 0.020 ng/mL and 0.01 to 0.07 ng/mL, respectively. The recovery test results were between 86.3 % and 106.4 %, with a relative standard deviation (RSD) of 0.7 % to 4.2 %. This analytical method, using a GC-MS/MS system, provided reliable quantitative results for 15 synthetic musk compounds in water samples and demonstrated high sensitivity and efficiency.</p><h3><strong>3. Thermo Fisher Scientific / ASMS: Performance evaluation of GC-MS/MS for Dioxin analysis with amendments to EU Regulations 644/2017 and 771/2017 for food and feed&nbsp;</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/PO_298_ASMS_25_performance_evaluation_GC_MS_MS_dioxin_analysis_po298_na_en_8721a5f8dc.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Polychlorinated dibenzo-p-dioxins/furans (PCDD/F), or dioxins, are persistent organic pollutants (POPs) that can accumulate within food chains due to their chemical stability and high fat solubility, posing health risks to humans through food consumption<sup>1</sup> . Current regulations monitor food and feed for dioxins, with maximal allowable levels for PDCC/Fs in feedstuffs at the pg•g-1 concentration range<sup>2</sup> . However, a recent review process has proposed a reduction of up to 40% in these levels by 2024 for certain feed items, such as animal/milk/egg fats (1.0 pg•g-1), fish oil (3.5 pg•g-1), and fish feed (1.0 pg•g-1)<sup>3</sup> . Since 2014, the European Commission has permitted the use of gas chromatography-triple quadrupole mass spectrometry (GC-MS/MS) for food and feed analysis as an alternative to GC-high resolution mass spectrometry (HRMS)<sup>4,5</sup> . With the proposed reduction in maximum limits, the performance of current instrumentation to achieve these targeted limits must be assessed.</p><p>Laboratories face challenges in maintaining consistent sensitivity to detect trace levels of dioxins in complex food matrices and in reporting various regulatory requirements for PCDD/ F analysis<sup>6,7</sup> . This study used the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/485"><strong>Thermo ScientificTM TSQTM 9610 triple quadrupole GC-MS/ MS</strong></a> system with the NeverVentTM advanced electron ionization (AEI) source to demonstrate compliance with the proposed regulatory limits for PCDD/F in food and feed samples. The aim was to ensure consistency with previously determined concentrations of PCDD/F in food and feed matrices and meet current compliance with the EU regulations.</p><h4><strong>Materials and methods</strong></h4><p>Data was acquired, processed, and reported using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76"><strong>Thermo Scientific Chromeleon Chromatography Data System (CDS) software</strong></a>, version 7.3. Integrated instrument control ensures full automated setup of the Dioxin analytical workflow through the eWorkflow which provides optimized instrument / quantification methods, view settings for time efficient data evaluation and customizable report templates. Isotopic dilution quantification is performed automatically in real time with the incorporated custom variable and formula functionality eliminating the need for exporting to external software packages.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>The results of these comprehensive experiments demonstrate that the TSQ 9610GC-MS/MS system, configured with the NeverVent AEI source and controlled using Chromeleon CDS software together with the Dioxin eWorkflow, can deliver reliable regulatory compliant performance for the quantification and confirmation ofPCDD/Fs food and feedstuffs:&nbsp;</p><ul><li>Fentogram level sensitivity performance for ultra trace level determination of PCDD/F within food and feed samples&nbsp;</li><li>Check standard performance was within quantitation and ion ratio thresholds for regulatory method compliance at femtogram levels.&nbsp;</li><li>Accurate and precise quantitation at both current and newly adopted maximum limits for PCDD/F in food and feed.&nbsp;</li><li>Chromeleon CDS software, version 7.3, provides an integrated platform, with the ability to automatically setup, easily acquire, process and report compliant data in a fully regulated environment, eliminating the need for using external spreadsheet programs.&nbsp;</li><li>Chromeleon eWorkflows, available from Thermo Scientific also provide error-free execution of each analysis to meet standard operating procedure (SOP) requirements, further simplifying the user</li></ul><h3><strong>4. William &amp; Mary / MDCW: Method optimization of fingermark residue using comprehensive two-dimensional gas chromatography&nbsp;</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/FL_07_Macturk_MDCW_2025_Oral_Presentation_4c2c820f98.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Fingermarks—smudged or incomplete fingerprints—may lack value for direct identification but can still offer critical information through their chemical residue. This study explores the potential of nontargeted chemical analysis of fingermark residue to determine donor characteristics such as sex and age. Using comprehensive two-dimensional gas chromatography (GC×GC), the team sought to enhance analytical resolution and method efficiency.</p><h4><strong>Experimental Approach</strong></h4><p>Researchers first collected fingermark residue using cotton swab extraction, followed by centrifugation and sample preparation. A GC×GC method was optimized by adjusting parameters like modulation period, hot pulse time, oven hold times, and ramp rate. Multiple method configurations were tested for chromatographic resolution, and the optimized helium-based method was later translated for use with hydrogen carrier gas using modeling tools.</p><h4><strong>Results</strong></h4><p>Method optimization led to significant improvements in peak separation, enabling identification of various compound classes including sterols, fatty acid methyl esters, fatty alcohols, and steroids. Additionally, unexpected anthropogenic substances such as sunscreen agents and plasticizers were detected. Hydrogen-based methods were able to achieve comparable separation quality, with the “H₂ Translate” method offering the highest number of identifiable peaks.</p><h4><strong>Conclusion</strong></h4><p>This study demonstrates that nontargeted GC×GC analysis is effective for resolving both endogenous and exogenous compounds in fingermark residue. The optimized methods not only improve forensic chemical profiling but also support a successful transition from helium to hydrogen as a carrier gas—promoting sustainability without compromising analytical performance.</p>

News from LabRulezGCMS Library - Week 26, 2025

GC–MS as a valuable tool for analysing cannabinoid-containing gummies and identifying the synthetic process used for their production

<p><strong>In the week of June 30, 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. Agilent Technologies: From Insights to Outcomes: Real-World Optimization of Lab Operations Using CrossLab Connect Digital Services</strong></h5><ul><li>Already taken place Monday, June 30, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5256">Registration</a></li></ul><p>Discover how labs capitalize on utilization and service data with CrossLab Connect. Case studies show how informed decisions drive cost savings, productivity gains, and sustainability progress.</p><h5><strong>2. Agilent Technologies: Go Beyond Limits in Pesticide Analysis: Watch, Ask, Connect with Agilent</strong></h5><ul><li>Already taken place Monday, June 30, 2025</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5262">Registration</a></li></ul><p>Watch the webinars, submit your question and join us for live Q&amp;A session on June 30 to consult directly with Agilent experts and gain practical insights on pesticide analysis.</p><h5><strong>3. Agilent Technologies: Optimizing Laboratory Procurement with Digital Services: Take Control of Your Laboratory Spend with Agilent CrossLab Connect</strong></h5><ul><li>Tuesday, July 1, 2025, 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5257">Registration</a></li></ul><p>Learn how labs use CrossLab Connect to optimize CapEx &amp; OpEx, avoid unnecessary instrument purchases, and fine-tune service coverage using risk-based, data-driven insights and real case studies.</p><h5><strong>4. Wasson-ECE Instrumentation: Data Handling Software: OpenLab Chemstation vs OpenLab CDS</strong></h5><ul><li>Tuesday, July 1, 2025, 21:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5276">Registration</a></li></ul><p>Explore how OpenLab CDS enhances chromatography workflows by integrating features from ChemStation, EZChrom, and MassHunter to boost usability, productivity, and user experience.</p><h5><strong>5. Agilent Technologies: Biopharmaceutical Raw Material Verification with Handheld Vaya Raman Spectrometer</strong></h5><ul><li>Thursday, July 3, 2025, 20:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/2770">Registration</a></li></ul><p>The Agilent Vaya handheld Raman spectrometer increases raw material identification throughput without increasing costs by reducing the need for sampling.</p>

Webinars LabRulezGCMS Week 27/2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 30th June 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 other document by <strong>Agilent Technologies </strong>and<strong> </strong>posters by<strong> Shimadzu / ASMS, Thermo Fisher Scientific / ASMS </strong>and <strong>Waters / ASMS</strong>!</p><h3><strong>1. Agilent Technologies: Understanding Solvent Focusing Gas Chromatography and How it can be Optimized for Splitless Injections&nbsp;</strong></h3><ul><li>Other document (white paper)</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/wp_solvent_focusing_gc_5994_8387en_agilent_7911ade217.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Discussions of the basic mechanism of gas chromatography (GC), samples can start as a liquid, solid, or a gas. These samples, when not in gas phase, are converted into a vapor made up of solvent and analytes that are then separated using a GC column. The type of film or stationary phase used in the column helps to separate the compounds of a sample mixture. Meanwhile, the role of the gaseous mobile phase is to move compounds through the column without chemically interacting with them.1 With splitless injections, almost the entire sample is transferred onto the column head, making it ideal for trace level analysis, but more susceptible to solvent interactions due to the large volume of solvent also introduced to the column. It is important to understand all the variables and how to optimize them to successfully perform splitless injections, including the role of the sample solvent and related solvent effects.</p><h4><strong>Sample preparation and solvent selection</strong></h4><p>Prior to efficient sample preparation methods for the analysis of pesticides, a guard column was used to help protect the analytical column from heavy matrix or nonvolatile analytes. The primary method of sample preparation used was solvent dilution in hexane or dichloromethane, which potentially passed through a filter, and then injected directly into the inlet and analyzed on a 5% phenyl phase type column. This can be referred to as the dilute and shoot method. As dichloromethane and hexane are both compatible solvents with a 5% phenyl phase, the guard column was only needed to protect the analytical column from matrix, and not from adverse&nbsp;wettability.&nbsp;</p><p>With the adoption of more involved sample preparation techniques, traditionally used in liquid chromatography, samples typically finish their preparation in the polar solvent acetonitrile. For GC analysis solvent exchange is employed, which is the process of drying down a sample in one solvent under nitrogen gas and reconstituting it in another solvent such as hexane. This procedure is performed to ensure proper interactions between solvent and column phase. Since these cleaned up samples contained less matrix, the need for a guard column was decreased.6 Gradually the requirement for solvent exchanges was decreased to decrease the overall sample preparation time, but this left the prepared samples in a final solvent of acetonitrile.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>For a gas chromatography analysis to be successful there are many factors to be considered. These factors include injection speed, solvent choice, installation of the column, and the column phase selection. Solvent selection is important in more decisions than determining which solvent will dissolve analytes. Solvent selection can impact vaporization volume in the liner, as well as impact reconcentration at the head of the GC column.&nbsp;</p><p>Splitless&nbsp;injections will be more affected by solvent selection, as there will be a greater amount of solvent introduced to the column and greater interactions between the solvent and column phase. If the solvent and column phase are mismatched, there will be an increase in the flooded zone, and a subsequent impact to the peak shape of analytes. To mitigate the problem of using a polar solvent with a nonpolar column, a guard column can be used to help refocus the solvent and analytes at the head of the analytical column and improve analyte peak shape.</p><h3><strong>2. Shimadzu / ASMS: PFAS in Bottled Water: A Simple Approach Using HS-SPME GC/MS/MS for Volatile Contaminant Analysis</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ASMS_25_TP_312_a610778a69.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Concerns about per- and polyfluoroalkyl substances (PFAS) contamination in bottled water, linked to significant health risks, are growing. The Food and Drug Administration (FDA) has published plans surveying bottled water for PFAS in 2024-2025. While Liquid Chromatography/Mass Spectrometry (LC/MS) is the primary analytical method for PFAS, it struggles to analyze certain PFAS related compounds like fluorotelomer alcohols (FTOHs), perfluoroalkyl iodides (PFIs), and (n:2) fluorotelomer iodides (FTIs). Gas Chromatography/Mass Spectrometry (GC/MS) offers a complementary approach for volatile PFAS. This study utilizes Head-Space Solid Phase Microextraction Triple Quadrupole Gas Chromatography/Mass Spectrometry (HS-SPME GC/MS/MS) to analyze PFAS in bottled water. This technique offers several advantages, including minimal sample preparation, making it a valuable tool for comprehensive PFAS analysis.</p><h4><strong>Methods</strong></h4><p>A volatile PFAS analysis method was developed on a Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-TQ8040+NX"><strong>GCMS-TQ8040 NX</strong></a> with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=AOC-6000+Plus"><strong>AOC-6000 Plus</strong></a> multifunctional autosampler equipped with a solid phase microextraction (SPME) module (Figure 1).&nbsp;</p><p>Thirteen PFAS target compounds were included in the Multiple Reaction Monitoring (MRM) method. The PFAS chemical classes were perfluoroalkyl iodides (PFIs), (n:2) fluorotelomer iodides (FTIs), (n:2) fluorotelomer acrylates (FTACs), (n:2) fluorotelomer methacrylates (FTMACs), (n:2) fluorotelomer alcohols (FTOHs) and perfluoroalkane sulfonamides (FASAs). Internal standards (IS) FTOHs, FASAs and FTAC mass-labelled compounds were added to each vial prior to extraction. Concentrations of the target compounds were calculated using isotope dilution.&nbsp;</p><p>An internal calibration curve was prepared in 10 mL of reagent water at concentrations of 2000, 1000, 500, 100, 50, 10, 2.5 and 1 ng/L. The IS were spiked at 100 ng/L to each calibrator. Sodium Chloride (NaCl) was added to each vial to achieve a final salinity concentration of 2% NaCl (w/v). These calibrators were vortex for 30 seconds and then placed on the AOC-6000 Plus autosampler rack for analysis.&nbsp;</p><p>The optimized parameters of the HS-SPME GC/MS method for the targeted PFAS are listed in table 1. Quantitative and reference ions for each PFAS target are listed in table 2. The associated internal standard used for each compound is also listed in table 2.&nbsp;</p><p>A laboratory control sample (LCS) was analyzed to determine the general performance of the method in a clean matrix. The bottled water samples were analyzed to determine the effect of matrix on method performance. The type of bottled water analyzed was purified water.</p><h4><strong>Conclusion</strong></h4><p>The PFAS family includes thousands of compounds across diverse chemical classes, making comprehensive analysis challenging and often necessitating multiple analytical techniques. LC-MS is widely used and well-established for PFAS analysis but is less effective for detecting certain compounds - particularly volatile PFAS. In contrast, GC-MS excels at analyzing volatile PFAS and serves as a valuable complement to LC-MS, offering a more complete and balanced approach to PFAS detection. By extending the range of detectable compounds, GC-MS helps overcome PFAS analysis limitations previously imposed by instrumentation constraints. This study demonstrates the strong performance of an HS-SPME GC/MS/MS method for measuring volatile PFAS in bottled water. The application presents a simple, rapid, robust, precise, and accurate workflow that significantly improves the ability to detect a broader spectrum of PFAS compounds in bottled water.</p><h3><strong>3. Thermo Fisher Scientific / ASMS: Large-scale targeted biomarker analysis of volatile organic compounds in breath by TD-GC-MS&nbsp;</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/PO_456_ASMS_25_large_scale_targeted_biomarker_analysis_po456_na_en_910bf58c57.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Breath analysis of volatile organic compounds (VOCs) is emerging as a promising tool in non-invasive disease diagnostics. While untargeted methods dominate current workflows, they often lack reproducibility and specificity. This study introduces a fully integrated, large-scale targeted workflow for VOC biomarker quantification using TD-GC-MS, aiming to support the development of Owlstone Medical’s Breath Biopsy VOC Atlas® and broader breathomics applications.</p><h4><strong>Materials and Methods</strong></h4><p>Breath samples were collected using the ReCIVA® Breath Sampler and CASPER® air supply to reduce ambient contamination. Samples were analyzed with a <strong>Markes </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=7&amp;search=TD100xr+thermal+desorber"><strong>TD100xr thermal desorber</strong></a><strong> </strong>coupled to a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/18"><strong>Thermo Scientific Orbitrap Q Exactive GC-MS system</strong></a>, known as the Breath Biopsy OMNI® method. A total of 200 VOC targets were monitored, using 36 deuterated internal standards. All data acquisition and analysis were performed in <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/76"><strong>Chromeleon CDS software</strong></a> in a secure, cloud-based enterprise environment.</p><h4><strong>Results</strong></h4><p>The workflow includes automated system suitability and intelligent run controls (SST/IRC) to avoid the loss of valuable patient samples. High-confidence compound identification was achieved using composite scoring, ion ratio matching, and HRAM spectral libraries. Method validation across two independent breath sample cohorts demonstrated strong precision, with over 70% of VOCs meeting the &lt;20% RSD threshold across studies and sequences.</p><h4><strong>Conclusion</strong></h4><p>This targeted TD-GC-MS workflow provides a robust, compliant, and scalable solution for high-confidence breath biomarker analysis. The integration of cloud-based Chromeleon CDS, automated QC protocols, and HRAM detection supports reproducible, high-throughput studies that are essential for advancing clinical breathomics and precision medicine.</p><h3><strong>4. Waters / ASMS: GC-APCI-MS/MS Analysis of Polychlorinated Dibenzo-p-dioxins and Furans to Revised US EPA1613 Guidelines</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008849_81ffe9aec9.pdf"><strong>Full PDF for download</strong></a></li></ul><p>In response to the U.S. EPA’s 2024 update of Method 1613 for the analysis of PCDD/Fs in wastewater, this study evaluates the performance of an alternative workflow using tandem quadrupole mass spectrometry (MS/MS) with APCI instead of traditional high-resolution mass spectrometry (HRMS). The goal was to demonstrate that such a system can meet all critical quality control (QC) metrics required by the revised method.</p><h4><strong>Materials and Methods</strong></h4><p>Analysis was carried out using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/55"><strong>Waters Xevo TQ-XS tandem quadrupole MS</strong></a><strong> </strong>with an APGC™ source, coupled to an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC"><strong>Agilent 8890 GC</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=8&amp;search=CIS-4+PTV"><strong>Gerstel CIS-4 PTV injector</strong></a>, with <strong>autosampling via </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=PAL+3+RSI"><strong>PAL 3 RSI</strong></a>. Chromatographic separation used a Restek Rtx-Dioxin2 column. Calibration standards from Wellington Laboratories were diluted to test both linearity and detection limits, and internal QC metrics were adapted to accommodate the MS/MS platform.</p><h4><strong>Results</strong></h4><p>The adapted workflow successfully replicated key EPA1613 QC checks, including relative response factors, isotopic ratios (±15%), and detection limits. The system showed excellent mass accuracy and resolution, verified through an automated Python-based script. Ionization suppression events were detected and visualized, aiding sample quality assessment. Signal-to-noise ratio evaluation, even in low-noise MS/MS traces, was possible after modifying detector settings.</p><h4><strong>Conclusion</strong></h4><p>This work proves that a GC-APCI-MS/MS system can fully comply with revised EPA1613 guidelines. The platform demonstrated robust quantitative performance, reproducibility, and reliable QC monitoring. It represents a valid and cost-effective alternative to HRMS for regulatory dioxin and furan analysis in environmental samples.</p>

News from LabRulezGCMS Library - Week 27, 2025

NDMA in macrolides: GC-MS/MS method for its detection and study of its formation

<p><strong>In the week of July 7, 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. Wasson-ECE Instrumentation: Introduction to the Micro GC, Use of Autosamplers with the uGC</strong></h5><ul><li>Tuesday, July 8, 2025, 21:30 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5304">Registration</a></li></ul><p>Do you know about Wasson-ECE’s MicroGCs? Join us for an introduction to Micro-GCs and their use with autosamplers.</p><h5><strong>2. Agilent Technologies: Cutting through pesticide residues and heavy metals</strong></h5><ul><li>Wednesday, July 9, 2025, 06:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4868">Registration</a></li></ul><p>This webinar focuses on pesticides and heavy metals detection, along with performing elemental speciation in dairy products by LC/MS/MS, GC/MS/MS, and ICP-MS techniques.</p><h5><strong>3. Separation Science: From Peaks to Insights: Navigating Environmental Analysis with Weck Laboratories using GC/MS/MS Instrumentation</strong></h5><ul><li>Wednesday, July 9, 2025, 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5259">Registration</a></li></ul><p>Discover the benefits of using triple quadrupole GC/MS in high-throughput environmental testing workflows.</p><h5><strong>4. Metrohm: Amplifying the Invisible: Advanced Spectroelectrochemistry with EC-SERS</strong></h5><ul><li>Wednesday, July 9, 2025, 19:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5285">Registration</a></li></ul><p>Learn how Raman spectroelectrochemistry empowers time-resolved redox analysis by combining spectroscopy with electrochemistry—featuring SERS and real-world research applications.</p><h5><strong>5. Thermo Fisher Scientific: MOSH MOAH Analysis Made Clear: Strategies for Diverse Matrices</strong></h5><ul><li>Thursday, July 10, 2025, 08:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5305">Registration</a></li></ul><p>Join our upcoming webinar to learn from our experts about advanced MOSH/MOAH analysis techniques designed to tackle diverse matrices with exceptional efficiency and precision.</p><h5><strong>6. Agilent Technologies: Surface Measurement and Beyond – Nondestructive Testing with Handheld FTIR and SORS Raman Spectroscopy</strong></h5><ul><li>Thursday, July 10, 2025, 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5298">Registration</a></li></ul><p>Join us for an engaging webinar! Agilent portable SORS Raman and FTIR systems are simplifying in situ chemical analysis.</p>

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Webinars LabRulezGCMS Week 28/2025

NDMA in macrolides: GC-MS/MS method for its detection and study of its formation

News from LabRulezGCMS Library - Week 27, 2025

Webinars LabRulezGCMS Week 27/2025

GC–MS as a valuable tool for analysing cannabinoid-containing gummies and identifying the synthetic process used for their production

News from LabRulezGCMS Library - Week 26, 2025

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Quality control in GC–MS analysis of amino acids in human urine and plasma: Possible implications for targeted and untargeted metabolomics

News from LabRulezGCMS Library - Week 25, 2025

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