Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 13th January 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you applications and other documents by Agilent Technologies, Thermo Fisher Scientific, and Shimadzu!<h4>1. Thermo Fisher Scientific: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_7000_mrm_toxicology_asms_2024_wp810_en_agilent_b9f153ff37.pdf">HERAtech Laboratories satisfies growing water-analysis demand and reduces costs using workflow automation</a></h4><ul><li>Case study</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/paper/28639">Full PDF for download</a></li></ul>“Automation is fundamental because thirteen analysts are not enough to cope with our increase in samples. The automated approach we use allows for method consolidation with the analysis of PAHs and pesticides in a single GC run. Additionally, the possibility to perform sample extraction automatically, followed by online GC-MS/MS analysis, offers a significant reduction of labor spent and a significant reduction in solvent consumption.”Dr. Paolo Morelli, Laboratory Manager, HERAtech S.r.l., Sasso Marconi (BO), Italy“It’s necessary to evaluate every possible marginal gain on every single process in the workflow to remove any bottlenecks. The bottleneck that Thermo Fisher Scientific has helped us solve is huge for sample preparation for pesticides and in particular for PAHs by eliminating manual SPE.”Dr. Paolo Morelli, Laboratory Manager, HERAtech S.r.l., Sasso Marconi (BO), Italy<blockquote><h5>Analytical system used at HERAtech for automated determination of pesticides and PAHs in water samples</h5><ul><li>TriPlus RSH SMART autosampler</li><li>Thermo Scientific™ TRACE ™ 1610 Series gas chromatograph with Thermo Scientific™ iConnect™ Programmable Temperature Vaporizing (PTV) injector module for large-volume injection</li><li>Thermo Scientific™ TSQ™ 9610 triple quadrupole mass spectrometer</li></ul></blockquote>“The key aspect of this automated solution is an analytical system capable of carrying out automatically, in a fully unattended way, all the extraction phases of the LLE protocol using microvolumes.”Dr. Paolo Morelli, Laboratory Manager, HERAtech S.r.l., Sasso Marconi (BO), Italy“We made significant investments focused on automation in terms of instruments that allow us to analyze more analytes in one run. In particular, we aimed to consolidate different methods into a single method and provide as many analytical measurements as possible with a single machine. Our goal was simultaneous analysis of 70 analytes including pesticides and PAHs, with quantification limits between 0.0005 μg/L (0.5 ng/L) and 0.02 μg/L.”Dr. Paolo Morelli, Laboratory Manager, HERAtech S.r.l., Sasso Marconi (BO), Italy“Only two solvents are necessary to perform automated DLLME, and the much lower volumes offer significant cost savings. The sample volume required is much lower, reducing logistic costs of transportation and storage.”Dr. Paolo Morelli, Laboratory Manager, HERAtech S.r.l., Sasso Marconi (BO), Italy<h4>2. Agilent Technologies/ASMS: A Triple Quadrupole GC/MS MRM Database for Forensic and Toxicological Workflows</h4><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/paper/27204">Full PDF for download</a></li></ul>Systematic toxicological analysis in forensic investigation demands continuous adaptability to an ever-evolving toxicant landscape.The three main challenges are:<ol><li>low concentrations of the toxicants</li><li>an ever-growing number of analytes to be monitored and quantitated</li><li>the limitations in obtaining analytical standards for every chemical.</li></ol>For the volatile compounds, gas chromatography/mass spectrometry (GC/MS) is the method of choice when analyzing forensic drugs and toxicants [1, 2]. GC/MS forensic toxicological workflow greatly benefits from selectivity and sensitivity of multiple reaction monitoring (MRM) approach enabled with triple quadrupole GC/MS (GC/TQ).The aim of this work was to develop an MRM database to help toxicological researchers build screening and quantitation methods simplifying method development.The database of MRM transitions for relevant toxicants was established and successfully applied to creating GC/TQ methods for analyzing real-world authentic samples with greater sensitivity and confidence than the conventional GC/MS approach. The database will be available for download starting July 2024.<h4>3. Shimadzu: GC/GC-MS Glass Insert/Liner Selection Guide</h4><ul><li>Guide</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/paper/26962">Full PDF for download</a></li></ul>In a gas chromatograph, the sample is injected into the column via the injection unit. A glass insert / liner is used to vaporize the sample more efficiently, and to inject the vaporized sample into the column with no unnecessary dispersion. Additionally, using a glass insert reduces the extent to which contaminants such as high boiling point compounds from the sample contaminate the injection unit. Accordingly, selecting a glass insert appropriate for the objective heightens the accuracy of analysis and leads to more reliable results.When selecting a glass insert, various selection standards are used depending on the application. For example, the following cases can be cited as selection standards for glass inserts.&nbsp;<ul><li>What type of injection unit is used? What sample injection method is used during analysis?</li><li>Is the glass insert filled with wool (glass wool)? What shape is the glass insert?</li><li>What are the dimensions of the glass insert?</li><li>Is surface treatment of the glass insert necessary?</li></ul>Glass inserts with a variety of specifications are commercially available to suit these varied selection criteria, so selecting a glass insert can be daunting.This selection guide describes how to select an appropriate glass insert for the objective/application as well as points to consider in accordance with elements of the glass insert configuration. Additionally, this guide introduces glass inserts appropriate for your Shimadzu GC system.

News from LabRulezGCMS Library - Week 3, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 20th January 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you applications and other documents by Shimadzu, Agilent Technologies and Thermo Fisher Scientific!<h4>1. Shimadzu Corporation: Analysis of Volatile Organic Compounds (VOCs) in Water Using Trap-Headspace-GCMS in Accordance with US EPA Method 8260D Criteria</h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/paper/28645">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>Using trap-headspace-GCMS as an alternative technique to purge-and-trap with GCMS in accordance with US EPA Method 8260D criteria for the analysis of VOCs in water matrix.</li><li>Capability of analyzing volatile organic compounds (VOCs) at very low limit of quantitation, as low as 0.5 ng/mL.</li></ul><h5>Introduction</h5>According to United States Environmental Protection Agency (US EPA), volatiles organic compounds (VOCs) are defined as compounds with high vapor pressure that can easily evaporate into gases. Improper dumping of waste or industrial leachates contaminates underground water. This contaminated water exposes humans to VOCs in their daily lives. Each VOC poses different exposure risk based on its individual constituents. To protect human health and the environment, the US EPA developed Method 8260D1) to identify and quantify VOCs in water using single quadrupole GCMS.Purge-and-trap is a common sampling technique for this application. However, in this study, Shimadzu’s Trap-Headspace system is utilized as an alternative sampling technique and is evaluated against EPA 8260D criteria. VOCs sampled from the headspace are concentrated in a trap before being injected into the GC, providing high sensitivity in the analysis. The headspace system, <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=6&amp;mainauthorItems=1&amp;search=HS-20+NX">HS-20 NX</a> (Trap Model), also features heated and inert sample lines with a short transfer line to suppress analytes adsorption. In this application news, the HS-20 NX (Trap Model) is coupled with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=3&amp;mainauthorItems=1&amp;search=QP2020+NX">Shimadzu GCMS-QP2020 NX</a> (Fig. 1) to achieve high sensitivity in VOCs in water analysis.<h5>Conclusion</h5>The analysis results unequivocally validate the concept of using trap-headspace system as a viable pretreatment method for further exploration and application for the US EPA Method 8260D.<h4>2.&nbsp;Agilent Technologies: Analysis of Sulfides, Formaldehyde, and Organic Halides in High-Purity Hydrogen for Fuel Cell Vehicles</h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/paper/28649">Full PDF for download</a></li><li>Using an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890">8890 GC</a>/<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8355">8355 SCD</a>/<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5977">5977 MSD System</a></li></ul><h5>Abstract</h5>This application note describes a robust analytical procedure for the detection of sulfides, formaldehyde, and organic halides in hydrogen for fuel cell vehicles. This analysis was executed using an Agilent 8890 gas chromatography (GC) system equipped with an Agilent 8355 sulfur chemiluminescence detector (SCD) and an Agilent 5977 mass spectrometer detector (MSD). Samples were preconcentrated using a thermal desorption system, followed by separation on an Agilent J&amp;W DB-Sulfur SCD column. A purged two-way splitter was used to split the sample at a 3:1 ratio onto the SCD and MSD. This flexible configuration demonstrated excellent performance for these three categories of compounds. The correlation coefficients for all target compounds exceeded 0.9971, with reproducibility results varying between 0.3% and 7.9%. The detection limits for sulfides, formaldehyde, and organic halides were 0.01, 0.1, and 0.5 nmol/mol, respectively.<h5>Introduction</h5>Contrasted with traditional internal combustion engine vehicles, hydrogen fuel cell vehicles (FCVs) that use hydrogen as an energy source present many advantages. These advantages include superior conversion efficiency and zero emissions, thus being esteemed as another groundbreaking revolution in the automobile industry.1 FCVs deploy proton exchange membrane fuel cells (PEMFCs), transforming chemical energy into electrical energy through the reaction between hydrogen and oxygen facilitated by a catalyst. The purity of hydrogen fundamentally determines the battery performance and lifespan. Hydrogen derived from fossil fuels, for example, referred to as grey hydrogen, is a substantial source. Grey hydrogen can include impurities, such as sulfides, carbon monoxide, carbon dioxide, ammonia, light hydrocarbons, formaldehyde, formic acid, and inert gases originating from the raw materials or the chemical reaction process.2 Other colors of hydrogen from different sources may include various combinations of impurities as well. These impurities are crucial elements affecting the durability of the fuel cell. Sulfides are severe catalyst poisons, causing irreversible degradation of fuel cell performance even at part per trillion (ppt) levels. Both CO and CO2 impurities in the hydrogen fuel can cause fuel cell performance degradation, with CO being more severe. Formaldehyde, an intermediate product in the process of hydrogen production from natural gas or methanol, has a poisoning mechanism like CO, but is more harmful. Trace amounts of ammonia can decrease the mass transfer ability of the electrolyte membrane, leading to irreversible degradation of the battery performance. Halides also irreversibly affect the performance of hydrogen fuel cells. Inert impurities in hydrogen (such as He, Ar, N2) do not poison the fuel cell but dilute the hydrogen fuel, reducing the cell potential and leading to power loss.To ensure the long-term stable operation of hydrogen fuel cells, various organizations have established quality standards for hydrogen used in FCVs. The International Organization for Standardization (ISO) and the Society of Automotive Engineers (SAE) in the United States have established specific standards for hydrogen used in PEMFCs, namely ISO 14687-20193 and SAE J2719-2015.4 China has also established GB/T 37244-20185 to regulate the quality of hydrogen products. These standards consistently specify limits for certain impurities in hydrogen, such as sulfides not exceeding 0.004 μmol/mol, formaldehyde not exceeding 0.01 μmol/mol, and total halides not exceeding 0.05 μmol/mol. The GB/T 44243-20246 method details the determination of sulfide, formaldehyde, and organic halides in hydrogen for FCVs, gives reference instrument configurations, and also presents performance results.In accordance with those standards, this study has established a comprehensive analytical method for multiple key trace impurities in hydrogen for FCVs. An analytical platform has been designed for seven sulfides, formaldehyde, and eight organic halides. Sulfides are detected using a GC/SCD, while formaldehyde and organic halides are detected using a GC/MSD. The detection limits of all compounds in this study fully met the requirements for hydrogen quality control described in ISO 14687-2019, SAE J2719-2015, and GB/T 37244-2018 methods.<h4>3.&nbsp;Thermo Fisher Scientific: Gas chromatography consumables ordering guide</h4><ul><li>Guide</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/paper/28640">Full PDF for download</a></li></ul>Proven consumables for optimum system performance.<h5>Select the right GC consumable for your GC system</h5>Optimize your gas chromatography (GC) system’s performance by selecting the proper GC consumables. Reference the compatibility and recommended use when ordering your consumables for the following systems:<ul><li>Thermo Scientific™ TRACE™ 1300 and TRACE™ 1600 Series Gas Chromatographs</li><li>Thermo Scientific™ AI/AS 1310 and AI/AS 1610 Liquid Autosamplers</li><li>Thermo Scientific™ TriPlus™ RSH and TriPlus™ RSH SMART Autosamplers</li><li>Thermo Scientific™ TriPlus™ 500 Headspace Autosampler</li></ul><h5>Contents</h5><ul><li>GC syringes and SPME arrows and fibers<ul><li>AI/AS 1310 and AI/AS 1610 liquid autosamplers</li><li>TriPlus RSH and TriPlus RSH SMART autosamplers</li></ul></li><li>Injection ports<ul><li>iConnect Split/Splitless (SSL) injector module</li><li>iConnect Programmable Temperature Vaporizer (PTV) injector module</li></ul></li><li>Mass spectrometer transfer line connections</li><li>Gas management</li><li>GC columns</li><li>GC column connectors</li><li>Sample handling</li></ul>

News from LabRulezGCMS Library - Week 4, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 3rd February 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you applications and other documents by Shimadzu, Agilent Technologies and Thermo Fisher Scientific!<h4>1. Analysis of Essential Oils Using Comprehensive Two-Dimensional Gas Chromatography (GC × GC) and High-Resolution Mass Spectrometer</h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_essential_oil_analysis_gcxgc_5994_8029en_agilent_7f4357b3cd.pdf">Full PDF for download</a></li></ul>The analysis of complex samples such as essential oils can benefit substantially from comprehensive two-dimensional gas chromatography (GC × GC), which provides a high degree of chromatographic separation due to the second dimension. Combining GC × GC with high-resolution accurate mass measurement increases the number of identifiable components and enhances confidence in the results.The focus of this study was to establish a workflow for the analysis of essential oils using GC × GC with a reverse flow modulator (RFM) combined with a high-resolution quadrupole time-of-flight (GC/Q-TOF) mass spectrometer.<h5>Experimental</h5>The samples were separated on an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890">Agilent 8890 GC</a> using a GC × GC configuration with an RFM and analyzed using a high-resolution accurate mass <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7250">Agilent 7250 GC/Q-TOF MS</a> as well as an FID. A "normal" column set, combining a nonpolar primary column and a polar secondary column, was used. This set consisted of a 20 m × 0.1 mm, 0.1 μm Agilent DB-1ms column (100% dimethylpolysiloxane) and a 5 m × 0.25 mm, 0.15 μm Agilent DB-17ms column (equivalent to (50%-phenyl)-methylpolysiloxane).To decrease flow to the MS, and to add an FID to the configuration as a second detector, the column flow must be split at the end of the secondary column by connecting it to a splitter. Two splitter types, purged and unpurged, have been explored to highlight the benefits and limitations of each configuration. In the case of a purged splitter, the column flow mixes with the makeup flow before splitting between the two detectors. In contrast, an unpurged splitter does not use makeup flow when splitting the column effluent between the two restrictors connected to the two detectors. A second FID (monitor, or vent) channel was added for method optimization and troubleshooting.<h5>Conclusion</h5>In this application note, a method for the analysis of essential oils using several comprehensive GC × GC configurations with a reverse flow modulator (RFM) and a high-resolution Agilent 7250 GC/Q-TOF system was developed. Method optimization was performed using a diesel sample. Essential oil components, separated by GC × GC, were reliably identified using the Unknowns Analysis tool. Agilent Mass Profiler Professional (MPP) software successfully determined the differences in chemical composition between the essential oils.<h4>2.&nbsp;Utilizing hydrogen carrier gas for sensitive analysis of pesticides in food using gas chromatography mass spectrometry</h4><ul><li>Poster / ASMS</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_142_utilizing_hydrogen_pesticides_food_gc_ms_po142_asms2024_en_7ed0951b93.pdf">Full PDF for download</a></li></ul>Purpose: To demonstrate the performance of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=HeSaver">Thermo Scientifc HeSaver-H2Safer kit </a>for iConnect split-splitless (SSL) injection module for trace analysis of pesticides using H2 as a carrier gas as a safe and sustainable solution for laboratory operations.Methods: In this study, hydrogen was used as a carrier gas for <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=15&amp;mainauthorItems=3">GC-MS/MS analysis</a> of trace levels of pesticides in food. The GC was fitted with a new hydrogen safer split/splitless injector, with chromatographic separation performed on a TG-5 SIL MS(30 m × 0.25 mm, 0.25 μm) capillary GC column. The chromatographic conditions applied ensured critical pair separation was achieved. The GC-MS/MS system was equipped with an advanced electron ionization (AEI) source to increase sensitivity for analyte detection. Quantification and assessment of critical regulatory requirements, such as linearity and sensitivity, were performed in a single software.<h5>Conclusions</h5><ul><li>The use of the HeSaver-H2Safer technology allows for a safe and compliant use of hydrogen as an alternative carrier gas in GC/GC-MS applications without the need to install a hydrogen sensor and removes any risk of unwanted reactions with the sample in the hot SSL injector.</li><li>When used with hydrogen, the limited carrier gas consumption offered by the HeSaver-H2Safer mode permits a very controlled system demand for hydrogen, making this solution ideal for laboratories working with hydrogen generators.</li><li>Migrating the GC-MS/MS method from helium to hydrogen requires an adaptation of method parameters to address (i.e., retention time shift and different fragmentation patterns).</li><li>97% of pesticides in baby food and 98% in honey showed a linear response in the concentration range 0.005–0.500 mg/kg and the relative standard deviation for N=5 repeats of each sample type at 0.01 mg/kg was equal or lower than 10% for 98% of the evaluated compounds.</li></ul><h4>3.&nbsp;Analysis of VOC and SVOC Emissions from Automotive Interior Materials Using GCMS-QP2050 in Accordance with ISO 12219-11</h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00845_en_9771953555.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=QP2050">GCMS-QP2050</a> features a new interface that enables good peak shape and sensitivity even when analyzing compounds with high boiling points.</li><li>When used with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=TD-30R">TD-30R</a> thermal desorption system, it can analyze compounds in accordance with ISO 12219-11.</li><li>The TVOC Calculation Tool can calculate in a simple manner quantitative emissions (toluene and hexadecane equivalents) in accordance with ISO 12219-11.</li></ul><h5>Introduction</h5>In recent years, measures to reduce the use of organic compounds in automotive interiors have progressed, the ISO 12219-11 standard is being developed for the analysis of volatile organic compounds (VOCs) and semi-volatile organic compounds (SVOCs) that are emitted from automotive interior materials. The ISO 12219-11 analytical procedure involves filling a thermal desorption (TD) glass tube with a sample of materials, heating the tube using TD, and loading the VOCs (up to C25) and SVOCs (C14 to C32) that were emitted from the sample into a GC-MS system for analysis. Although this standardized procedure enables simple and quick analysis of VOC and SVOC emissions from these materials, contamination of the MS system caused by the simultaneous loading of compounds with high boiling points is a problem.As shown in Fig. 1, the GCMS-QP2050 is equipped with a new contamination-resistant ion optical system that effectively minimizes contamination of the MS. Featuring a new interface (Fig. 2) that enables good peak shape and sensitivity even for compounds that are typically prone to adsorption, it is optimally suited to analyzing SVOCs, including those with high boiling points.TD-30R and GCMS-QP2020 NX will be listed as examples for suitable test equipment on ISO 12219-11. This Application News describes analyzing VOC and SVOC emissions from the materials of vehicle interiors in compliance with ISO 12219-11 using the GCMS-QP2050 together with the NexisTM GC-2030 and the TD-30R thermal desorption system.<h5>Conclusion</h5>Using the new GCMS-QP2050, it was possible to consistently analyze SVOCs and other compounds with high boiling points. By combining this system with the TD-30R thermal desorption system and the TVOC Calculation Tool, even inexperienced users can rapidly analyze automotive interior materials and quantify emissions (i.e., calculate toluene and hexadecane equivalents) in compliance with ISO 12219-11.

News from LabRulezGCMS Library - Week 6, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 10th February 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you applications and other documents by Shimadzu, Agilent Technologies and Thermo Fisher Scientific!<h4>1. Agilent Technologies: Analysis of Aldehydes, Benzene, and Limonene in Recycled Polyethylene&nbsp;Terephthalate&nbsp;</h4>Using an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=Agilent+7697">Agilent 7697</a> headspace sampler and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?instrumentationItems=3-14&amp;manufacturerItems=1&amp;search=8890+5977">8890/5977C GC/MSD</a><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_aldehyde_benzene_limonene_pet_7697_headspace_8890_5994_8063en_agilent_1_af1ee904b7.pdf">Full PDF for download</a></li></ul>PET is commonly used in the food and beverage industry, as it is easy to recycle. The quantity of food containers and beverage bottles made from recycled PET materials is on the rise.&nbsp;Contaminants in recycled PET, including acetaldehyde, benzene, and limonene, can migrate from the packaging into the contents, potentially affecting the safety and quality of the products stored inside.1 Monitoring these contaminants is crucial for ensuring the quality of recycled PET products, as they can affect the physical, chemical, and sensory properties of recycled PET, potentially leading to product defects or health concerns.&nbsp;This application note demonstrates the use of a 7697 headspace sampler and 8890/5977C GC/MSD for the analysis of acetaldehyde, benzene, and d-limonene in recycled PET materials. With the developed method, acetaldehyde, benzene, and d-limonene in three recycled PET samples were successfully quantified.&nbsp;<h4>Conclusion</h4>This application note describes the quantitative analysis of acetaldehyde, benzene, and d-limonene using an Agilent 8890/5977C GC/MSD with an Agilent 7697 headspace sampler. This method offers the advantages of full automation, rapid analysis, and minimum sample preparation. With this automated workflow solution, excellent sensitivity was demonstrated with an LOD of 0.034 ng/µL for acetaldehyde, 0.002 ng/µL for benzene, and 0.006 ng/µL for d-limonene. Good linearity was demonstrated, with R2 above 0.999 for all three compounds over wide concentration ranges. Three recycled PET samples were analyzed, with a detection of acetaldehyde from 474 to 975 μg/kg, benzene from 5.5 to 18.6 μg/kg, and d-limonene from 0.42 to 3.21 μg/kg.&nbsp;<h4>2. Shimadzu: GC/MS Analysis of Fluorophosphates as Decomposition Products in Lithium Battery Electrolyte</h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_05_sca_280_105_en_d3dcd7b97d.pdf">Full PDF for download</a></li></ul>User Benefits:<ul><li>A routine and fast GC/MS method for detection of LIB decomposition products.</li><li>Monitoring of the LIB electrolyte after manufacturing, storage and transport.</li><li>Fluorophosphates can be considered as markers for a started electrolyte decomposition.</li></ul>The electrolyte solution is a crucial part of a typical Lithium-ion battery, consisting Li salt (f.e. LiPF6), organic carbonates and additives to ensure a stable transport of Li ions during charging and discharging processes. A significant part of battery aging can be considered as a result of the decomposition of the electrolyte. At the end of this chemical and electrochemical processes oligomeric organic compounds 1) and organophosphates 2,3) could be detected. Especially fluor containing organophosphates are of interest due to their potential neurotoxicity 4,5,6).While the electrochemical aging takes place in a battery itself, the chemical aging starts already during manufacturing, storage and transport of the electrolyte. Typical factors that influence this are: exposure to air and moisture, too high temperature at manufacturing/storage, long term storage in general. Wrong materials in the production pipeline like glass are problematic as well due to a catalytic reaction of the fluoric acid traces with SiO2 as follows:&nbsp;SiO2 + 6HF → H2[SiF6] +2H2OThis application examples of analysis of the electrolyte solution for qualitative determination of fluorophosphates as a possibility for an earlystage quality control.<h5>Experimental</h5>25 µl LIB electrolyte consisting Ethyl methyl carbonate and Ethylene carbonate 1:1 with 1M LiPF6 has been diluted with 1 mL dichloromethane and centrifuged for 5 min at 8500 rpm to remove the solid LiPF6. The centrifuged solution was transferred into a 2 mL GC glass vial and measured by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-QP2020+NX">GCMS-QP2020 NX</a>.<h5>Conclusion</h5>LiPF6 based LIB electrolyte degrade during chemical and electrochemical processes. With GC/MS based analysis method a clear assignment of tree fluorinated alkyl phosphates has been successfully accomplished in a long-term stored electrolyte showing the suitability of GCMS-QP 2020 NX to offer a reliable and simple way of analysis even at early stages of electrolyte decomposition.<h4>3. Thermo Fisher Scientific: Enhanced calibration precision: Leveraging RSE and WLS for optimal function optimization</h4><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/TN_003551_Enhanced_calibration_precision_Leveraging_RSE_and_WLS_for_optimal_function_optimization_184ab5a2c1.pdf">Full PDF for download</a></li></ul>This technical note outlines the advantages of employing relative standard error (RSE), weighted least squares (WLS) approximations, and inverse calibrations in enhancing the accuracy and precision of calibration in chromatographic analysis. It discusses the shortcomings of conventional metrics and introduces a more dependable and straightforward method for evaluating and optimizing calibration processes.<h5>Software</h5>Data evaluation was performed using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=chromeleon">Thermo Scientific™ Chromeleon™</a> Chromatography Data System (CDS) version 7.3.2. The software's RSE definition (Equation 4) includes weighting factors, expanding its use to calibration functions that must pass through the origin.5<h5>Results and Discussion</h5>We included a gas chromatographic (GC) example to demonstrate the universal applicability of RSE in evaluating chromatographic calibration experiments. Figure 7 shows the separation of ethanol, which takes about 40 seconds after a headspace injection. The calibrated concentration range spans from 100 mg/L to 5,000 mg/L, the broadest range in our examples.&nbsp;We subjected the original method to RSE evaluation using OLS that constrained the calibration function to pass through the origin (Figure 7A). The RSE obtained was 7.6%, which is well within the EPA guideline of less than 20%. However, the relative amount deviation plot in Figure 7A showed increasing deviation at lower standard concentrations.&nbsp;The original calibration data set was re-analyzed using WLS with a quadratic fit and 1/Amount² weighting to enhance precision. This adjustment reduced the RSE to approximately 0.7%. It produced a relative amount deviation plot in Figure 7B that displayed minor deviations and a random scatter around the target value of 0% across the calibrated range. This demonstrates the improved accuracy and reliability of the optimized calibration method.<h5>Conclusion</h5>This technical note explores the advantages of using RSE, WLS approximations, and inverted calibrations to enhance calibration quality in chromatography. By optimizing calibration curves through quadratic fitting, offset adjustments, and suitable weighting factors (such as 1/Amount²), the calibration process can be significantly improved, resulting in lower RSEs and better overall calibration quality. Incorporating RSE as an evaluation tool offers a deeper understanding of calibration reliability.

News from LabRulezGCMS Library - Week 7, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 17th February 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies&nbsp; and Shimadzu and product spotlight by Thermo Fisher Scientific!<h4>1. Agilent Technologies: Extractable Pollutants from Microplastics to Vegetables: Incorporation to the Food Chain</h4>Using static headspace GC/MS with the Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890%2F5977B">8890 GC and 5977B GC/MSD</a><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_extractable_pollutants_from_microplastics_to_vegetables_5994_7882en_agilent_5b4df39dff.pdf">Full PDF for download</a></li></ul>Most studies of organic pollutants in vegetables focus on persistent organic pollutants (POPs)10,11, which are extracted from samples and usually monitored by liquid chromatography (LC).12 However, the accumulation of MP-associated pollutants in vegetables has hardly been evaluated.This application note presents:<ol><li>A developed and validated approach to the targeted and untargeted analyses of MP-associated pollutants found in vegetables</li><li>Quantitation of MP pollutants</li><li>Assessment of the influence of vegetable type (edible- versus nonedible-roots) on the intake of MP-associated pollutants</li><li>The accumulation and environmental migration pathways of the MP pollutants</li></ol>In this application note, an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=SHS-GC%2FMS">SHS-GC/MS</a> method involving a static headspace coupled to an 8890 GC and 5977B GC/MSD was used for the evaluation of volatile extractables from plastic residues present in vegetable matrices. This technique is well suited to extract volatile compounds from different samples due to its simplicity, automation, speed, low cost, and minimal sample preparation requirements.13–15 Additionally, the application of MS in combination with a spectral deconvolution and retention indices (RIs) enabled advanced detection and identification of volatile MPassociated pollutants in vegetable matrices.&nbsp;<h4>Conclusion</h4>A straightforward, reliable, and robust SHS-GC/MS methodology using an Agilent 8890 GC and an Agilent 5977B GC/MSD was developed to identify and quantify plasticassociated pollutants in vegetable samples. The method represents a preliminary approach to assess the impact of agricultural MP contamination on food. The obtained data add new information to the mobility of MP leachates from agricultural soils to vegetables. The application of chemometrics to the dataset acquired from the SHS-GC/MS analysis has demonstrated that the accumulation of these organic pollutants was higher in edibleroot than nonedible-root vegetables. The main contributors to this differentiation were 2,4-di-tert-butylphenol, cumene, 2-tert-butyl-4 methylphenol, and 2,4-dimethylphenol, which are chemicals associated with plastic contamination. Specifically, cumene may be related to polystyrene (PS) pollution.A total of 92 putative compounds were accurately identified using spectral deconvolution retention indices (RIs). In the samples, plastic-associated compounds were quantified. Their contents varied from 0.14 to 28,800 ng/g for 2,4-di-tert-butylphenol and p,α-dimethylstyrene, respectively. The presence of phenylacetaldehyde in all the samples, as well as styrene, cumene, and p,α-dimethylstyrene in some of them, indicated PS contamination. Other compounds found in the studied vegetables, such as xylene isomers and ethylbenzene, highlighted potential contamination of other polymeric materials like polyvinyl chloride (PVC) or polyethylene terephthalate (PET).<h4>2. Shimadzu: Analysis of Essential Oil Using GC-MS/FID Detector Splitting System</h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00819_en_c5c92dcd13.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>The detector splitting system allows for simultaneous acquisition of MS and FID data in a single measurement.</li><li>Even complex samples can undergo simplified statistical analysis using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=eMSTAT+Solution">eMSTAT SolutionTM</a>.</li><li>The combination of the compact <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GC-2050">BrevisTM GC-2050</a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-QP2050">GCMS-QP2050</a> enables space-saving in the laboratory.</li></ul>In this application, five types of Hinoki oils, including Hinoki oil made by our company and Hinoki oils from different regions, were analyzed using the detector splitting system between MS and FID. The results from MS were compared using eMSTAT Solution to analyze the composition of the components. Additionally, the quantification of δ Cadinene, an important aromatic component that is a sesquiterpene was conducted using FID, which showed high calibration linearity over a wide concentration range. Furthermore, with a compact width of approximately 63 cm, the device configuration of Brevis GC-2050 + GCMS-QP2050 not only contributes to space-saving in the lab but also demonstrates high analytical performance.<h5>Essential Oil Analysis Using GC-MS/FID</h5>In quality control (QC) of fragrances like Hinoki oil, where a wide concentration range is typically expected, GC-FID, which provides detector response over a broad range, is commonly used. By comparing the chromatogram shapes of product samples obtained during the production process with approved reference samples, the component profile is confirmed. However, in the case of Hinoki oil containing numerous components, qualitative analysis of each peak becomes challenging with an FID detector. Therefore, by using the detectorsplitting system between MS and FID, it is possible to obtain data from both MS and FID simultaneously in a single measurement. This allows for the usual confirmation of chromatogram shapes with FID and enables qualitative analysis with MS when unknown components are detected.<h5>System Configuration and Analysis Conditions</h5>The system configuration and analysis conditions are shown in Table 1 and 2, respectively In this analysis, SMI (Smart Micro Inert) FLOW DEVICE 2-Way Splitter for detector splitting was used (Fig. 1). The SMI FLOW DEVICE is a capillary flow device for analysis with features such as low leakage, low dead volume, low heat capacity, and inertness. This allows for the analysis of highly adsorptive components. We adjusted the inner diameter of the resistors used for MS/FID detector Splitting, as well as the pressure of the AUX-APC (Digital Flow Controller), to set the split ratio at approximately 1:3 for MS:FID. By using eMSTAT Solution for analysis, we visually grasped the differences in component characteristics of each Hinoki oil and identified the compounds contributing to those differences.<h4>Conclusion</h4>Five different types of Hinoki oils were analyzed using a detector splitting system with MS and FID. When conducting multivariate analysis with the results from MS using eMSTAT Solution, it was possible to visually capture the differences in component characteristics. It was revealed that (-)-Borneol is a characteristic component of Shimadzu oil. Additionally, accurate quantification of δ-Cadinene, which varies significantly in concentration among samples, was achieved using FID.<h4>3. Thermo Fisher Scientific: Fully automated method implementation for compliant analysis of polychlorinated dibenzodioxins/furans by GC-MS/MS</h4><ul><li>Other</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sl_003541_gc_ms_eworkflow_dioxin_sl003541_na_en_9f48797bef.pdf">Full PDF for download</a></li></ul>Performance-based methodology for dioxin analysis is applied within the EU to ensure accurate reporting of dioxin levels within food and feed. Results are evaluated according to strict quality control and reporting criteria. For analytical testing laboratories, this often means a significant time investment for adoption and implementation of the methodology for dioxin analysis, as well as a requirement for highly skilled operators. Even for laboratories experienced with GC-MS-based test procedures, the addition of dioxin testing to the overall portfolio is demanding. To simplify this process, a dedicated eWorkflow™ template is available within the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=chromeleon">Chromeleon™</a> Chromatography Data System. This eWorkflow template is available for the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TSQ+9610">TSQ™ 9610 </a>triple quadrupole GC-MS/MS system and is free to download from the Thermo Scientific™ AppsLab™ Library of Analytical Applications (Dioxin eWorkflow).&nbsp;Processing methods within the Dioxin eWorkflow template use isotopic dilution for quantitation, allowing users to perform data acquisition and real-time quantitation within the same software. Spiking levels of both syringe and internal standard can be defined per injection, permitting samples spiked with different levels of internal or syringe standard concentration to be analyzed in a single sequence. This can be seen in Figure 3 where internal standard concentration level within the sequence is defined at different levels for calibration standards (i.e., PCDD/F CS1), check standards (LOQ, LOQ/2, LOQ/4), and blank/sample injections (Sample).The Dioxin eWorkflow template allows analytical testing laboratories to easily implement compliant analytical methodology for dioxin analysis. It delivers validated data acquisition/processing methods and reporting templates for dioxin analysis, helping remove time-consuming steps around method development and data processing.Included within the Dioxin eWorkflow template:<ul><li>Injection sequence templates with pre-optimized analytical parameters for method injection and data acquisition.</li><li>Incorporation of isotopic dilution quantitation, removing the need for additional software or script writing to perform data calculations.</li><li>Interactive tables and charts to facilitate quick data evaluation for compliance purposes.</li><li>Fully customizable data evaluation and report layout templates based on the analyst’s needs.</li></ul>

News from LabRulezGCMS Library - Week 8, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 24th February 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you application notes by Agilent Technologies, Knauer&nbsp; and Shimadzu!<h4>1. Agilent Technologies: Analysis of 65 Volatile Organic Compounds in Ambient Air by Canister Sampling Using an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890%2F5977">8890/5977</a> GC/MSD</h4><h5>A method using both scan and SIM mode that fully meets the requirements in the HJ 759-2023 standard</h5><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_voc_air_gc_msd_5994_7723en_agilent_4b88e40417.pdf">Full PDF for download</a></li></ul>This application note introduces the use of a canister for gas sampling. Samples were introduced into an Agilent 8890 gas chromatograph (GC) with an Agilent 5977 single quadrupole mass selective detector (MSD) and the Markes Multi-Gas thermal desorption (TD), to analyze volatile organic compounds (VOCs) in the atmosphere or in semiconductor cleanrooms. The results of linearity, reproducibility, and detection limit fully met the requirements of the China method HJ759-2023. This method is widely used as a reference both in environmental laboratories and semiconductor cleanrooms. The linear correlation coefficient for all 65 compounds was greater than 0.991, with 86% of compounds having a value greater than 0.999. The results of reproducibility in scan mode varied between 0.3 to 6.8%, while results in SIM mode varied between 1.1 to 6.7%. The sampling volume was 300 mL, which resulted in detection limits of 0.013 to 0.113 nmol/mol for scan mode and 0.002 to 0.013 nmol/mol for SIM mode.&nbsp;<h4>Experimental</h4>This study was performed on an 8890 GC coupled to a 5977 single quadrupole GC/MSD with an electron ionization (EI) source. A Markes Multi-Gas thermal desorption sample introduction and preconcentration system was used and included three modules:<ul><li>CIA Advantage-xr (CIA): canister autosampler</li><li>Kori-xr: water removal module</li><li>Unity-xr: thermal desorption instrument</li></ul>First, three internal standards (ISTDs) were introduced into the Unity trap by CIA. Then, the sample was passed through a heated transfer line through the CIA Advantage into the Kori for water removal. Finally, the sample flowed into the focusing cold trap of the Unity for preconcentration. Eventually, the Unity trap was desorbed at high temperature, and the 65 VOCs and three ISTDs all entered the GC/MSD for analysis. Figure 1 shows the flow path of the combined system.&nbsp;<h4>Conclusion</h4>An Agilent 8890/5977 GC/MSD system, equipped with a Multi-Gas CIA Advantage-xr TD provides a robust analytical procedure for the analysis of 65 VOCs in ambient air. This system offers a highly efficient and highly sensitive solution for the simultaneous analysis of multiple VOCs in both atmospheric quality monitoring laboratories and semiconductor cleanrooms. Based on different application requirements, users can choose to collect data in scan or SIM mode, demonstrating the flexibility of Agilent instruments. Excellent analytical performance has been achieved based on this system both in scan and SIM mode, which fully meets the requirements detailed in method HJ 759-2023.<h4>2. Knauer: GPC vs. SPE and subsequent determination of polycyclic aromatic hydrocarbons using GC/MS</h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/VEV_0081_Comparison_of_GPC_and_SPE_purification_methods_of_sludge_samples_FINAL_web_376100390f.pdf">Full PDF for download</a></li></ul>Polycyclic aromatic hydrocarbons (PAHs) are ubiquitous environmental pollutants generated primarily during the incomplete combustion of organic materials. The removal of PAHs from the atmosphere by dry and wet deposition processes are strongly influenced by their gas/particle partitioning. Atmospheric deposition is a major source for PAHs in soil [1] which can be determined by various extraction and purification processes, subsequently detected by a GC/MS using the reference method UNI EN 15527. Our main purpose is to demonstrate that the purification of environmental matrix with high organic component using the gel permeation chromatography purification (AZURA GPC Cleanup, FS conditioned resins CHEX/DCM), compared to a SPE purification, allows are well-defined separation time of the analytes and it can provide narrow bands without their physical chemical interaction with the column, resulting in less chance of loss of analytes [2]. This differs from other separation techniques which depend upon chemical or physical interactions to separate analytes [3].<h4>Conclusion</h4>The GPC cleanup procedure of mud sludge samples prior analysis of PAHs with GC/MS technique is a good alternative to SPE purification steps. Advantages like better S/N ratios and third mass identification are obvious. The automatization of the GPC Cleanup using AZURA GPC Cleanup system yields high efficiency of the application.<h4>3. Shimadzu: Material Analysis of Microplastics in River Water - FTIR and Pyrolysis-GC-MS Analysis</h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00806_en_c2c7bba8be.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>Automated pretreatment of microplastics (MPs) reduces workload and enables highly reproducible pretreatment.</li><li>Material analysis of MPs processed by the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=MAP-100">MAP-100</a> device can be easily performed by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=FTIR-ATR">FTIR+ATR.</a></li><li>Highly reproducible GC-MS analysis of MPs is possible by homogeneously pulverizing samples with Cryogenic Mill (IQ MILL-2070).</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=EGA%2FPY-3030D">Pyrolysis</a>-<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-QP2020+NX">GC-MS</a> can measure the weight of multiple types of plastics even when they are mixed.</li></ul>Microplastics (MPs) are microscopic plastic particles measuring a few µm to 5 mm in size. They are feared to have an impact on ocean pollution and ecosystems. Against this backdrop, surveys and studies on MPs in surface waters such as oceans, rivers, lakes and marshes are being conducted worldwide. Fourier Transform Infrared Spectrophotometer (FTIR) is often used for material analysis of MPs. ASTM recently published the D8401-24 standard test method for the qualitative and quantitative determination of MPs in water that uses a pyrolysis gas chromatograph mass spectrometer (Py-GC-MS). In this application news, a sample taken from a river was pretreated and analyzed for MPs using FTIR and Py-GC-MS.<h4>Conclusion</h4>Samples collected from river water were automatically pretreated using MAP-100, and the MPs materials were then analyzed by FTIR and Py-GC-MS. PP, PE and EVA were detected in both instruments, indicating that PP and PE are the main components (Fig. 8). Using an FTIR, individual qualitative results can be obtained easily, and the number ratios and densities can be calculated. Py-GC-MS also provides a more accurate massto material ratio (%). The system supports screening methods that take advantage of the features of each instrument, from preparation to analysis of MPs.

News from LabRulezGCMS Library - Week 9, 2025

Polycyclic aromatic hydrocarbons (PAHs) are a prominent class of organic compounds that have raised significant concerns due to their presence in various environmental and food matrices. These compounds are composed of multiple aromatic rings and are primarily formed during the incomplete combustion of organic matter. Sources of PAHs range from natural processes like forest fires to human activities such as vehicle emissions, tobacco combustion, and food preparation techniques like grilling or smoking.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Unveiling_the_Advanced_Workflow_for_PAH_Analysis_in_Smoke_Flavored_Foods_427c35f34b.jpg" alt="Thermo Fisher Scientific: Unveiling the Advanced Workflow for PAH Analysis in Smoke Flavored Foods." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Unveiling_the_Advanced_Workflow_for_PAH_Analysis_in_Smoke_Flavored_Foods_427c35f34b.jpg 234w," sizes="100vw" width="1024" height="683">In the food industry, PAHs are particularly relevant in the context of smoke-flavored products. While smoke flavorings enhance the sensory properties of foods, they also pose potential risks due to the formation of PAHs during the smoking process. As such, stringent analytical methods are essential for detecting and quantifying PAHs to ensure consumer safety. In this blog, we explore a comprehensive GC-MS/MS workflow specifically designed for PAH analysis in smoke-flavored foods, with a focus on innovation in sample preparation, instrumental sensitivity, and regulatory compliance.<h3 id="h-understanding-smoke-flavors-and-pahs">Understanding smoke flavors and PAHs</h3>Smoke flavorings are derived from the controlled combustion of specific wood types, which are subsequently condensed, fractionated, and purified. These flavorings are used in foods such as fish, meat, sauces, and even snacks to replicate traditional smoking processes. The primary flavoring components include phenols and carbonyl compounds (aldehydes and ketones).However, PAHs can also be introduced during this process. Examples include naphthalene (two aromatic rings), anthracene, and phenanthrene (three aromatic rings), which are considered lower molecular weight PAHs, alongside heavier compounds such as benzo(a)pyrene and coronene. Regulatory frameworks in the European Union (e.g., Regulation (EC) No. 2065/2003) ensure that only authorized smoke flavoring products are used, with maximum allowable levels for PAHs.<h3 id="h-the-challenges-of-pah-analysis-in-food-matrices">The challenges of PAH analysis in food matrices</h3>Analyzing PAHs in food matrices, particularly those with high-fat content, presents unique challenges. These include:<ol><li>Complexity of matrices: Foods like smoked trout and tofu contain fats and proteins that can interfere with analytical detection.</li><li>Stringent detection requirements: Regulatory limits demand detection of PAHs at extremely low concentrations (picogram to femtogram levels).</li><li>Sample throughput: Laboratories need workflows that are both sensitive and efficient to handle routine analysis of multiple samples daily.</li></ol><h3 id="h-a-comprehensive-workflow-for-pah-analysis">A comprehensive workflow for PAH analysis</h3><h5>1. Sample preparation: The foundation of accurate results</h5>Sample preparation is a critical step in PAH analysis, especially for fat-containing matrices. A robust and systematic approach minimizes matrix interferences and enhances analyte recovery. The workflow includes:<ul><li>Homogenization: A 5-gram sample is weighed and homogenized in a glass tube. Internal standards are added, followed by equilibration for 10 minutes.</li><li>Liquid extraction: Samples are extracted using hexane in an ultrasonic bath. This process is repeated five times to ensure thorough extraction.</li><li>Evaporation and cleanup: Extracts are evaporated to 1 mL and subjected to Solid Phase Extraction (SPE). Two SPE steps are employed:<ul><li>Primary SPE (HyperSep Florisil): Removes major interferences.</li><li>Secondary SPE (HyperSep Phenyl): Further purifies the sample for precise GC-MS/MS analysis.</li></ul></li></ul><h5>2. Advanced instrumentation: The role of GC-MS/MS</h5>Instrumentation plays a pivotal role in achieving the sensitivity required for PAH detection. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/485">Thermo Scientific TSQ 9610 GC-MS/MS</a> system incorporates cutting-edge technologies to address the demands of PAH analysis:<ul><li>Advanced electron ionization (AEI): This ion source provides superior sensitivity through highly efficient ionization and a tightly focused ion beam. This ensures robustness even with challenging matrices.</li><li>NeverVent technology: Unique design features allow vent-free column and ion source exchanges, maximizing instrument uptime.</li><li>Dual filament design: Extends the operational lifespan and reduces maintenance frequency.</li></ul><h5>3. Importance of glass quality in analytical accuracy</h5>The quality of glass materials used in vials and liners significantly impacts analytical outcomes. Thermo Fisher Scientific’s LinerGold technology addresses the challenges posed by active glass surfaces that can adsorb PAHs, leading to signal loss or contamination. By providing highly inert glass materials, the workflow ensures consistent and accurate results.<h3 id="h-results-and-key-findings">Results and key findings</h3>The GC-MS/MS workflow for PAH analysis has been rigorously tested on various food matrices, demonstrating its robustness and reliability. Key findings include:<ul><li>Ultra-low detection limits: The system achieves femtogram-level detection, with examples such as chrysene (150 fg in smoked trout) and coronene (320 fg in smoked trout).</li><li>Precision and reproducibility: Calibration curves for compounds like pyrene and benzo(k)fluoranthene exhibit excellent linearity, ensuring reliable quantification.</li><li>Wide applicability: The workflow performs well across diverse matrices, from smoked trout to tofu, maintaining compliance with regulatory limits.</li></ul><h3 id="h-regulatory-compliance-and-consumer-safety">Regulatory compliance and consumer safety</h3>Ensuring compliance with EU regulations is a cornerstone of PAH analysis in smoke-flavored foods. The presented workflow not only meets these standards but also provides a scalable solution for routine laboratories. By integrating advanced sample preparation, state-of-the-art instrumentation, and high-quality consumables, laboratories can confidently deliver accurate and reliable results.<h3 id="h-conclusions-and-future-perspectives">Conclusions and future perspectives</h3>The detection and quantification of PAHs in smoke-flavored foods require a synergistic approach that combines meticulous sample preparation with innovative GC-MS/MS technology. The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/485">Thermo Scientific TSQ 9610</a> system, with its AEI source and NeverVent technology, sets a new benchmark in analytical sensitivity and robustness.This workflow underscores the importance of quality at every step—from sample preparation to vial selection—to achieve the necessary detection limits and regulatory compliance. As analytical demands evolve, these advancements pave the way for safer food production and enhanced consumer protection.<blockquote><h5>Additional information:</h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/485">TSQ 9610 Triple Quadrupole GC-MS</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/products-and-services/promotions/industrial/chromatography-columns-consumables-available-online.html">Chromatography Columns and Consumables Now Available Online</a></li></ul></blockquote><div><div><blockquote><h5>Join our free webinars:</h5>20.3.2025 English, 11 am CET, 1 hour <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4756">Advanced workflow for PAH analysis of smoke flavored foods</a>25.3.2025 German, 11 am CET, 1 hour <a target="_blank" rel="noopener noreferrer" href="https://event.on24.com/wcc/r/4835418/2EEB616DFE5F57C6587BA5984198FE55">Innovativer Workflow für die PAK-Analyse in Lebensmitteln mit Raucharoma</a> After the actual dates they are available on demand using the same links.</blockquote></div></div><blockquote><h5>Visit us on <a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a> #SmokeFlavors #Pah #GCMS #Consumables</h5></blockquote><section><blockquote><h4>Petra Gerhards</h4>Petra Gerhards, Dipl-Ing, is Regional Marketing Manager of GC and GC-MS for EMEA at Thermo Fisher Scientific. She has more than 29 years of experience in the fields of GC-MS, SPE and LC-MS. Since joining the regional team she has contributed to workflow solutions combining vials and closures with SPE solutions, GC-MS and LC-MS. She works with KOL's on data for regional specific marketing campaigns, organizes in-house seminars and works on customer specific solutions. Her main expertise is in the field of doping and drugs-of-abuse analysis.</blockquote></section>

Unveiling the Advanced Workflow for PAH Analysis in Smoke Flavored Foods

Lithium-ion batteries (LIBs) have transformed energy storage technology, driving innovations for products we use in everyday life such as smartphones and even electric vehicles. But what makes these batteries so efficient? A key component is the electrolyte solution, a complex mix that’s crucial for battery performance. GC-MS or gas chromatography-mass spectrometry is an essential tool in analyzing these electrolyte mixtures and the development of increased efficiency and longer-lasting batteries.<figure class="image"><img style="aspect-ratio:1024/551;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Electrifying_Insights_How_GC_MS_is_Powering_Lithium_Ion_Battery_Analysis_29d144ea28.jpg" alt="Thermo Fisher Scientific: Electrifying Insights: How GC-MS is Powering Lithium-Ion Battery Analysis." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Electrifying_Insights_How_GC_MS_is_Powering_Lithium_Ion_Battery_Analysis_29d144ea28.jpg 245w," sizes="100vw" width="1024" height="551"></figure><h4>Why Analyze Electrolytes?</h4>Electrolyte solutions are the essence of lithium-ion batteries, impacting:<ul><li>Performance: The right mix ensures faster charging and longer battery life.</li><li>Safety: Accurate composition prevents overheating and potential hazards.</li><li>Lifespan: Understanding degradation helps design components that last longer.</li></ul>Getting the electrolyte mix right is vital for efficient, safe, and durable batteries.However, analyzing electrolytes is complex and comes with a number of challenges:<ol><li>Complex Mixture: Electrolytes consist of various organic solvents, additives, and degradation products. This complexity requires sophisticated technology to separate and identify components.</li><li>Heat Sensitivity: Components like LiPF6 can degrade at high temperatures, creating new compounds that complicate analysis.</li><li>Trace Additives: Some additives are present in low concentrations but play a critical role in battery performance. Detecting these components demands highly sensitive methods.</li><li>Degradation Products: Battery cycling produces byproducts that can interfere with the main components. It’s like trying to find a book in a disorganized library.</li></ol>This is where GC-MS becomes an essential analytical tool. This powerful technique provides a detailed look into the composition of LIB electrolytes. The analysis follows a number of steps:<ul><li>Sample Prep: LIB electrolyte samples are diluted in dichloromethane and centrifuged to remove interfering salts.</li><li>GC Separation: Samples are run through a gas chromatograph which uses a programmed temperature ramp ensures all components are separated within a 23-minute window.</li><li>MS detection: After separation, the mass spectrometer operating in full scan and selected ion monitoring (SIM) provides detailed qualitative and quantitative data.</li></ul>Figure 1 shows the difference in selectivity between full scan and SIM mode. Vinylene carbonate is not detected in full scan at a 1 to 500 dilution due to the lack of selectivity and interference in full scan acquisition. However, by using SIM the ions of interest are isolated in the quadrupole increasing selectivity and allowing vinylene carbonate to be quantified at a low level.<figure class="image"><img style="aspect-ratio:881/694;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Electrifying_Insights_How_GC_MS_is_Powering_Lithium_Ion_Battery_Analysis_Figure_1_Full_scan_and_SIM_acquisition_of_vinylene_carbonate_in_cycled_LIB_electrolyte_at_1_500_dilution_6803793369.jpg" alt="Thermo Fisher Scientific: Figure 1. Full scan and SIM acquisition of vinylene carbonate in cycled LIB electrolyte at 1:500 dilution." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Electrifying_Insights_How_GC_MS_is_Powering_Lithium_Ion_Battery_Analysis_Figure_1_Full_scan_and_SIM_acquisition_of_vinylene_carbonate_in_cycled_LIB_electrolyte_at_1_500_dilution_6803793369.jpg 198w," sizes="100vw" width="881" height="694"></figure>GC-MS brings several advantages to electrolyte analysis:<ul><li>Precise Separation: Achieves excellent separation of multiple components, ensuring accurate readings without co-elution issues.</li><li>High Sensitivity: Detects even trace amounts of additives—down to 0.021 mg/L.</li><li>Broad Range: Handles a wide concentration range, analyzing both major and minor components in one go.</li><li>Degradation Insights: Reveals compositional shifts in cycled electrolytes, providing clues about the aging process of batteries.</li></ul><div><div><h4>Why this analysis is important?</h4>Understanding the detailed composition and changes in LIB electrolytes is crucial. It helps researchers and manufacturers fine-tune battery designs for enhanced performance, safety, and durability. While the analysis can be complex, the insights gained are invaluable.So next time you charge your device remember the sophisticated science behind that battery. Tools like GC-MS are enabling battery technological advances to be made, ensuring the future of battery technology.<blockquote>For full details on this analysis<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_001124_gc_ms_isq_7610_li_battery_electrolyte_an001124_na_en_4df8612386/an-001124-gc-ms-isq-7610-li-battery-electrolyte-an001124-na-en.pdf">&nbsp;</a><a target="_blank" rel="noreferrer noopener" aria-label="read the full application note. - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="https://assets.thermofisher.com/tfs-assets/cmd/application-notes/an-001124-gc-ms-isq-7610-li-battery-electrolyte-an001124-na-en.pdf$readthefullapplicationnote."><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_001124_gc_ms_isq_7610_li_battery_electrolyte_an001124_na_en_4df8612386/an-001124-gc-ms-isq-7610-li-battery-electrolyte-an001124-na-en.pdf">read the full application note.</a></a> For further details on how GC-MS can power your analysis, <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/mass-spectrometry/gas-chromatography-mass-spectrometry-gc-ms/gc-ms-systems/single-quadrupole-gc-ms.html">visit our website.</a><h5>Visit us on <a target="_blank" rel="noreferrer noopener" aria-label="LinkedIn: - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="https://www.linkedin.com/showcase/72003132/admin/dashboard/$linkedin:"><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/">LinkedIn:</a></a> #LithiumIonBatteries #GCMS #BatteryMaterialAnalysis</h5><section><h4 data-uw-rm-heading="level" role="heading" aria-level="2">Adam Ladak</h4><div itemprop="description">Adam Ladak is the global product marketing manager for GC quadrupole mass spectrometry at Thermo Fisher, based in the UK. He started his career working in a contracting testing lab analyzing sports supplements and horse feed for prohibited substances. He has over 20 years of experience in the analytical testing industry and has worked for leading instrument manufacturers in various roles from an application specialist to a global marketing role focused on food and environmental testing. Adam is passionate about utilizing our GCMS instrumentation to meet the customer needs and solve real world problems.</div></section></blockquote></div></div>

Electrifying Insights: How GC-MS is Powering Lithium-Ion Battery Analysis

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 3rd March 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you poster by Agilent Technologies and application notes by Knauer, Shimadzu and Thermo Fisher Scientific!<h4>1. Agilent Technologies: GC/MS Approach for Analysis of Extractables and Leachables (E&amp;L) in Complex Matrices Using Spectral Deconvolution and Retention Indices</h4><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_7250_5977c_extractable_leachable_asms_2024_mp208_en_agilent_71b19d3b16.pdf">Full PDF for download</a></li></ul>Modern drug delivery systems are meant to protect a drug from environmental contamination, but they may also be a source of contamination. It is necessary to identify those compounds that can extract, leach, or migrate from the package or device. Extractables and leachables analysis presents a challenge for GC/MS because of the complexity of the various sample matrices and a diverse range of compounds to be identified. This study demonstrates how unit resolution GC/MS workflow is employed for identifying GC-amenable E&amp;L compounds by leveraging spectral deconvolution in combination with retention index-based time filtering. An addition of the accurate mass high-resolution GC/Q-TOF into the workflow provided extra confidence in compound identification, sensitivity and capability of structural elucidation.&nbsp;Operating in the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=OpenLab+ECM">OpenLab Electronic Content Management </a>(ECM) XT configuration enabled tools that help facilitate compliance with various national and EU electronic record regulations, including audit trails, and remote data storage.<h5>Experimental</h5>Rubber syringe gaskets were extracted using tetrahydrofuran (THF) solvent at room temperature for six months. An aliquot of the extracts was analyzed using both <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=GC%2FMSD">GC/MSD</a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=GC%2Fq-TOF">GC/Q-TOF</a> systems. The acquisition software operated under a unified compliance environment. The instrumental parameters are shown in Table 1. The chromatographic deconvolution and library search were performed in the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=MassHunter">MassHunter</a> Unknowns Analysis 12.1. The NIST23 library was used to perform initial compound identification. Structural elucidation was performed using Molecular Structure Correlator (MSC) software 8.2.&nbsp;Retention time locking was used to achieve the same retention times between multiple GC/MSD and GC/Q-TOF systems allowing for using both retention index and retention time matching.<h5>Conclusions</h5><ul><li>The optimized GC/MSD and GC/Q-TOF approach for analysis of extractables and leachables allowed for identifying over 150 compounds in a complex E&amp;L extract&nbsp;</li><li>High-resolution GC/MS enabled identification of over 60 additional components with increased confidence and structure elucidation of the unknowns&nbsp;</li><li>The novel ultra low bleed Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=J%26W+DB-5Q">J&amp;W DB-5Q</a> GC column resulted in significant decrease in background, that could potentially yield higher number of identifications of late eluting compounds.</li></ul><h4>2. Knauer: GPC cleanup method for soil samples before PAHs analysis</h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/VEV_0082_GPC_Cleanup_of_soil_samples_FINAL_web_5260b86091.pdf">Full PDF for download</a></li></ul>GPC (Gel Permeation Chromatography) is a size-exclusion clean-up procedure that readily separates high molecular weight interferents from sample extracts using organic solvents and a porous hydrophobic gel (primarily a crosslinked divinylbenzene-styrene copolymer) [1]. It is possible to distinguish between different types of Bio-Beads resin based on the type of cross-linkage. In this application Bio-Beads S-X3 with 200–400 mesh was used according to EPA method 3640 [1]. GPC clean-up can be used extensively in numerous environmental analysis especially for preparing sample extracts prior to semivolatile compounds determination, such as pesticide, and PAHs analysis by GC/MS or HPLC-UV-DAD. Sample cleanup is particularly important for analytical separations such as GC, HPLC, and electrophoresis because high-boiling materials can cause a variety of problems in analytical systems, like analyte adsorption in the injection port or in front of a GC or LC column [2]. GPC cleanup protects GC and HPLC columns, reduces analytical maintenance costs, improves accuracy, and allows lower detection limits.<h5>Materials and Methods</h5>Extraction of Polycyclic Aromatic Hydrocarbons was carried out using Accelerated Solvent Extraction (ASE), according to the 3545A EPA method [3]. Bio-Beads S-X are supplied dry and must be swollen prior to pack into a chromatographic column. A mixture of cyclohexane and dichloromethane (70:30, v:v) is suitable for clean-up of soil samples. As a general rule, the beads should be swollen in the same solvent chosen as mobile phase, so 10 g of Bio-Beads S-X3 were swelled with 50 mL of cyclohexane and dichloromethane mixture (70:30, v:v) overnight. After the beads were fully swollen, they were packed into a chromatographic column. Before sample cleanup, GPC column was equilibrated with the desired solvent mixture, flushing it almost three times the column volume at 1 mL/min. Cleanup method was performed with AZURA® GPC Cleanup System, which is operated with the Mobile Control Chrom® Software running on a tablet directly mounted on the system. The identification and quantification of PAHs was carried out by GC-MS/MS analysis. Calibration curves were constructed in the concentration range from 10 μg/L to 130 μg/L. To perform GC separation and MRM acquisition, optimization of the best chromatographic and detection conditions was necessary.<h5>Conclusion</h5>This application shows how to perform GPC cleanup with KNAUER AZURA® GPC Cleanup System for the analysis of PAHs in soil samples. This report is very detailed to ensure good performance in GPC cleanup for application in environmental area. We can conclude that AZURA GPC Cleanup System is an helpful tool for sample preparation before instrumental analysis because, unlike other techniques, is very useful for the removal of high boiling materials which would contaminate injection ports and column heads, prolonging column life, stabilizing the instrument, and reducing column reactivity. It could be considered an universal cleanup technique for a broad range of semivolatile organics and pesticides. Moreover, AZURA GPC Cleanup System allows the customer to process many extracted samples, with a reduction in time for the cleanup procedures.<h4>3. Shimadzu: Blood alcohol content (BAC) analysis using a liquid injection approach</h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/AP_Blood_alcohol_content_via_liquid_injection_SCA_180_051_294d6843f8.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>Blood alcohol analysis using liquid injection is an alternative to the headspace</li><li>analysis of blood samples for clinical purposes</li><li>It provides reliable results for whole blood and plasma samples without adverse matrix effects&nbsp;</li></ul>Blood alcohol content (BAC) is relevant for legal regulations regarding driving limits, but also investigated for forensic and clinical purposes with respect to poisoning. Blood alcohol analysis does not only focus on ethanol, which is the classical drinking alcohol, but also investigates other alcoholic substances like methanol and isopropanol as well as metabolites like acetone. Ethanol is present in alcoholic beverages, but also used for antiseptics, various daily life products, and pharmaceuticals. Being a central nervous system depressant, consumption can cause severe intoxication with toxic levels at above 100 mg/dL blood [1]. Methanol intoxication could originate from the consumption of counterfeit alcohol, with as few as 30 mL pure methanol consumed being potentially lethal [2]. Isopropanol is widely used as solvent or antiseptic in households and sometimes used as cheap substitute for ethanol by alcohol abusers. It is metabolized by alcohol dehydrogenase to acetone, which alike isopropanol is a central nervous depressant [3].Blood alcohol analysis can be performed using gas chromatography (GC) with flame-ionization detection (FID). Due to the complexity of blood as matrix, headspace analysis is a widely used technique for simple sample transfer onto the GC column, which is especially valuable in forensics, where the matrix states investigated can drastically vary depending on the time the sample is taken. For clinical analysis, fresh blood is used, making the sample more uniform. In this approach, the analysis of BAC using a liquid injection technique as alternative to headspace sampling is presented.<h5>The Package</h5>The recommended analytical hardware and software configuration is listed below.<ul><li>Main Unit<ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=nEXIS+gc-2030+%28fid%29">Nexis GC-2030 with FID-2030</a>: Gas chromatograph with flame ionization detector</li></ul></li><li>Accessory<ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=AOC-30i+">AOC-30i </a>autosampler: Liquid autosampler with 30 vials capacity</li></ul></li><li>Main Consumables<ul><li>SH-BAC1 column (30 m x 0.32 mm x 1.8 µm;</li><li>P/N 221-76135-30)</li></ul></li><li>Software<ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=LabSolutions+LCGC">LabSolutions LCGC</a></li></ul></li></ul><h4>Conclusion</h4>Liquid sample injection presents a reliable alternative to headspace injection when analyzing blood samples for clinical purposes. Ethanol and methanol can be determined from whole blood, isopropanol and acetone from plasma samples without adverse matrix effects. Both whole blood and plasma analysis can be done using the same analytical method and one data processing approach, facilitating data evaluation and routine work.<h4>4. Thermo Fisher Scientific: Trace analysis of volatile organic compounds in wastewater according to U.S. EPA Method 624.1&nbsp;</h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.cz/labrulez-bucket-strapi-h3hsga3/an_003068_gc_gc_ms_isq_7610_epa_624_1_an003068_na_en_2297d596f3.pdf">Full PDF for download</a></li></ul>It is crucial that analytical testing laboratories monitor wastewater for the presence of volatile organic compounds (VOCs). VOCs are human-made contaminants used and produced in the processing of paints, adhesives, petroleum products, pharmaceuticals, and refrigerants. If they are released into wastewater from industrial activities, they can have an adverse effect on the natural environment and, ultimately, the public.1 U.S. EPA Method 624.1 is an approved test method under the Clean Water Act2 for determination of purgeable organic pollutants in industrial discharges and other environmental samples. The accurate detection and quantitation of VOCs via this method help ensure wastewater is not contaminated. Due to technological advances in analytical instrumentation and techniques, U.S. EPA Method 624.1 allows the analyst to modify P&amp;T parameters and GC/MS conditions. This can result in reduced sample run time and increased laboratory throughput in a 12-hour period.&nbsp;To perform U.S. EPA Method 624.1, method acceptance criteria must be achieved. These criteria include creating a working calibration curve, method detection limits (MDLs), and Initial Demonstration of Capability (IDC) of accuracy and precision for target compounds. As the sample matrix is water, it is essential that moisture is reduced, limiting the impact on the analytical column as this could damage the column and affect the results.&nbsp;The following evaluation describes the use of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=ISQ+7610">ISQ 7610</a> GC-MS system coupled with a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TRACE+1610">TRACE 1610 GC</a> equipped with the Thermo Scientific™ HeSaver-H2 Safer™ split/splitless injector and a Teledyne LABS Tekmar Lumin P&amp;T concentrator paired with the AQUATek LVA autosampler for U.S. EPA Method 624.1 for the analysis of wastewater.<h5>Experimental</h5><h5>GC-MS parameters&nbsp;</h5>A TRACE 1610 GC was coupled to the ISQ 7610 MS equipped with a Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=NeverVent">NeverVent™ </a>vacuum probe interlock (VPI) and a Thermo Scientific™ ExtractaBrite™ ion source. A Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TraceGOLD">TraceGOLD™ TG-VMS</a>, 30 m × 0.25 mm, 1.4 µm film column (P/N 26080-3320) was used for compound separation. The HeSaver-H2 Safer injector was utilized which reduces the carrier gas consumption by decoupling the gas used for the chromatographic separation from the gas used to pressurize the inlet and maintain split and purge flows. The critical separations were maintained with a run time of under 13 minutes.&nbsp;For this analysis, the ISQ 7610 MS was operated in full scan mode, ensuring the sensitivity needed for required the method detection limits. Nevertheless, the instrument could operate in Selected Ion Monitoring (SIM) mode for increased selectivity, if needed. Extended method parameters for the ISQ 7610 MS are shown in Table 2.<h5>Conclusion</h5>The ISQ 7610 MS system with the VPI coupled with the Teledyne LABS Tekmar Lumin P&amp;T concentrator paired with the AQUATek LVA autosampler exceeds all the requirements outlined in U.S. EPA Method 624.1 for analysis of VOCs in wastewater:<ul><li>MDLs calculated from n=7 repeat injections of 0.5 ppb water standards showed no interference from unwanted water entering the system and resulted in values &lt;0.15 ppb for most compounds.</li><li>Precision and accuracy for n=7 20 ppb water standards showed excellent results with %RSD &lt;20% and mean recovery of 93% for the compounds.</li><li>System robustness was tested by continuously acquiring 209 injections of water samples over two days with no user intervention at all. The average %RSD of the calculated concentration was 6.5% over this robustness study.</li><li>Utilizing the HeSaver-H2 Safer technology reduced helium consumption for the method by 4 times, reducing laboratory overheads.&nbsp;</li></ul>Further information on VOC analysis using the ISQ 7610 system and the Tekmar Lumin P&amp;T paired with the AQUATek LVA can be found in the Thermo Fisher Scientific AppsLab library.3 &nbsp;

News from LabRulezGCMS Library - Week 10, 2025

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 10th March 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring you poster by Agilent Technologies and application notes by Shimadzu and Thermo Fisher Scientific!<h4>1. Agilent Technologies (ASMS 2024): Automated Sample Preparation and Analysis of OCPs in Drinking Water</h4><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_pal3_rtc_ocd_drinking_water_asms_2024_mp387_en_agilent_061eb8d44c.pdf">Full PDF for download</a></li></ul>The Analysis of Organochlorine Pesticides (OCP’s) in drinking water is generally performed by manual liquid-liquid extraction with a concentration step performed before analysis by triple quadrupole GC/MS. Traditionally, volumes as high as 500 and 1000 mL are used and at least 100 to 200 mL of water sample is required with often over 25 mL of extraction solvent needed to extract. Hence, an additional concentration step via evaporation becomes needed.<h5>Benefits of Automation</h5>Sample preparation automation provides multiple benefits:<ul><li>Less room for human error – can be left unattended to run 24/7 if desired. For this method, the user only needs to add salt and sample (15 mL) to the headspace vial – the rest of the process is fully automated.</li><li>Higher reproducibility as the sample prep robot will perform actions consistently for each sample.</li><li>Significantly less sample and solvents are used resulting in a more sustainable approach.</li><li>Lower costs and higher throughput.</li></ul><h5>Sample Extraction Steps</h5><ul><li>ISTD Spiking: Using a dedicated (for ISTD) liquid tool with a 10 µL syringe, 2 µL of ISTD (from a 2 mL autosampler vial) were pipetted into 20 mL headspace (HS) vials containing sample/standards.&nbsp;</li><li>Solvent Addition: 2 mL of 90:10 isooctane:ethyl acetate solvent was added to the sample vial (20 mL HS)&nbsp;</li><li>Extraction: The vial was then transported to the vortex mixer and then vortexed at 2,000 rpm for 60 seconds&nbsp;</li><li>Sample Injection: Using a dedicated (for sample extracts) liquid tool with a 10 µL syringe, 1 µL of analyte protectants and then 8 µL of sample extract were injected onto the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890%2F7010">8890/7010</a> Series GC/TQ</li></ul><h5>Conclusions</h5><ul><li>Excellent sensitivity for OCP’s ( &lt; 0.01 ug/L) was achieved with only 15ml of water taken.&nbsp;</li><li>The extraction has been shown to be reproducible and robust requiring limited analyst supervision.&nbsp;</li><li>The automation is embedded within MassHunter requiring no additional software for the control and sequencing of the analysis.&nbsp;</li><li>The incorporation of mid-column backflush has resulted in consistent responses and retention times throughout the sequences and has minimized contamination of the MS source. The additional JetClean option has resulted in no manual source cleaning being required to date.&nbsp;</li><li>The automation has been configured to enable minimal analyst interaction by the incorporation of a diluter/dispenser into a large 2.5 L solvent bottle. This way non-mixed solvents can be used together with a fast wash station that means that no contamination will result from waste solvents.</li></ul><h4>2. Shimadzu: Analysis of THC Metabolites in Urine by GC-MS/MS</h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00860_en_38536374fa.pdf">Full PDF for download</a></li></ul><h5>User Benefits</h5><ul><li>MRM in GC-MS/MS uses two-stage mass filtering which allows for the detection of THC and its metabolites without interference from impurities in urine.</li><li>Using MRM creates a method sensitive enough to detect THC and its metabolites in urine at 1 ng/mL that can be used to quantify trace levels of cannabis metabolites in urine.</li></ul>Cannabis is a long-abused drug with pharmacological effects that include hallucinations, pain relief, and sedation. While the main psychoactive component of cannabis, delta-9- tetrahydrocannabinol (Δ9-THC), issubject to restrictions in many countries worldwide, another active component called cannabidiol (CBD) is not regulated in many countries. Cannabidiol has no major side effects and is starting to be used as a seizure medication, in cosmetics, and in foods. Restrictions on cannabis are undergoing continuous reforms with some countries tightening restrictions and others relaxing them. Japan has recently revised its laws to tighten regulations on cannabis use and a portion of these laws went into effect in December 2024. Δ9-THC in cannabis is metabolized in the body and principally excreted in urine and feces as the metabolites Δ9-OH-THC, Δ9‐THC-COOH, and their glucuronide conjugates. 1) Based on this, urine must be analyzed for these metabolites to prove cannabis use. This Application News investigated four methods of sample pretreatment that could be used to measure THC and its metabolites in urine and presents results obtained using the sample pretreatment method selected by this investigation in a quantitative analysis by GC-MS/MS (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-TQ+8040+NX">GCMS-TQ 8040 NX</a> Triple Quadrupole Gas Chromatograph Mass Spectrometer).<h5>Conclusions</h5>This Application News investigated the simultaneous analysis of cannabis constituents Δ8-THC and Δ9-THC, and their metabolites Δ8-OH-THC, Δ9-OH-THC, Δ8-THC-COOH, and Δ9‐THC-COOH in urine. Four different extraction methods were tested for the sample pretreatment step. A liquid-liquid extraction method provided the best recovery among the four extraction methods tested and the optimized sample pretreatment workflow resulted in an analytical method with adequate sensitivity and quantitative accuracy. GC-MS/MS was used to create a method sensitive enough to readily detect target compounds at 1 ng/mL in urine that is suitable for the quantitative analysis of trace amounts of cannabis metabolitesin urine.<h4>3. Thermo Fisher Scientific: Non-targeted analysis of whisky using SPME Arrow and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472">Orbitrap Exploris GC 240</a> mass spectrometer&nbsp;</h4><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003094_gc_hram_orbitrap_exploris_gc_240_whisky_an003094_na_en_46b10f592a.pdf">Full PDF for download</a></li></ul>Whisky is a premium alcoholic beverage based on the tradition built into its production. It consists of a cereal-water mixture or “mash”, which undergoes fermentation followed by distillation and cask maturation, creating a unique flavor profile over a long and complex aging process. Depending on the grain used, cask condition (new vs. old, charred vs. uncharred) and distillery process, significant variability in a whisky's chemical composition can occur. As a result of these distinguishing features, whisky is a sought-after commodity both for consumption and economic purposes, where investments in whisky have far outperformed stocks and other commodities such as gold in recent years.In this study, the performance of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Orbitrap+Exploris+GC+240">Orbitrap Exploris GC 240 high resolution accurate mass (HRAM) </a>mass spectrometer together with the headspace solid phase micro extraction (HS-SPME) for chemical profiling of whisky is demonstrated. With high mass accuracy (&lt;1ppm) and resolution capabilities (up to 240,000 mass resolution full width half maximum (FWHM) at m/z 200), the Orbitrap Exploris GC 240 mass spectrometer provides unsurpassed selectivity towards compound identification. Differences in chemical profiles are easily visualized using the statistical tools incorporated into the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Compound+Discoverer">Compound Discoverer</a>™ software and a streamlined identification achieved using the Thermo Scientific Flavor and Fragrances HRAM library together with the NIST nominal mass library. Switching between electron impact (EI) and positive chemical ionization (PCI) for molecular ion identification/ confirmation is achieved quickly without system venting using the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=NeverVent%E2%84%A2">NeverVent™</a> technology. This provides analysts accurate identification of the chemical profile in whisky for product quality control and differentiates between whiskies suspected of fraudulent activities (e.g., additives and mislabeling).<h4>Experimental conditions&nbsp;</h4><h5>Instrument and method setup&nbsp;</h5>Headspace extraction and injection of whisky samples was performed using the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TriPlus%E2%84%A2+RSH+SMART">TriPlus™ RSH SMART autosampler</a> equipped with the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=SMART+SPME+Arrow">SMART SPME Arrow</a> 1.1 mm DVB/C-WR/PDMS fiber (P/N 36SA11T3-SM). Incubation and extraction were performed online followed by sample injection/ desorption. After sample injection, the SPME Arrow fiber was re-conditioned at high temperature under nitrogen using a SPME conditioning station to avoid sample carryover between injections. Further details surrounding the SPME Arrow operating parameters can be found in Table 1. A Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TRACE%E2%84%A2+1610+GC">TRACE™ 1610 GC</a> equipped with a Thermo Scientific™ TraceGOLD™ TG-624SilMS (30 m × 0.25 mm i.d. × 1.4 µm film) capillary column (P/N 26085-3320) was used to perform the chromatographic separation. Oven program conditions can be found in Table 1. Data acquisition was carried out in full scan analysis using both EI and PCI with the Orbitrap Exploris GC 240 mass spectrometer. Additional MS method parameters are summarized in Tables 2 and 3. External mass calibration was performed prior to analysis, while characteristic ions representing column bleed were used as lock masses when scanning in EI to perform internal mass calibration. Sample acquisition and qualitative processing were performed using Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Chromeleon%E2%84%A2">Chromeleon™</a> version 7.3.2 Chromatography Data System (CDS) software. Unknown analysis and identification were performed using Compound Discoverer version 3.3 software.<h4>Conclusion</h4>The complex and versatile chemical profile existing among the various whisky types causes challenges in identifying genuine and fraudulent whiskies. Targeted analytical approaches can be applied but cannot provide a complete picture of the chemical composition, potentially missing fraudulent clues. The combination of HS-SPME Arrow with Orbitrap Exploris GC HRAM capabilities provides rapid analysis of both targeted and untargeted compounds giving the following advantages:&nbsp;<ul><li>Time savings with minimal sample preparation and online extraction using the TriPlus RSH SMART robotic autosampler&nbsp;</li><li>Full scan acquisition at high mass resolution (i.e., 120 000 at m/z 200) providing targeted quantitative analysis with nontargeted chemical profile determination&nbsp;</li><li>Dedicated Flavor and Fragrances HRAM library enabling accurate identification at sub ppm mass accuracy&nbsp;</li><li>Mass spectral deconvolution combined with statistical tools for sample differentiation all combined within Compound Discover software</li></ul>

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