Modeling indirectly detected analyte peaks in ion-pair reversed-phase chromatography

Laser-ablation vs. bulk tissue ICP-MS for conifer tissue elemental analysis

<p><strong>In the week from March 24, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Shimadzu Corporation: All About ICP-MS And FTIR: Essential Insights And Practical Applications</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 08:30 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4886">Registration</a></li></ul><p>Discover how Shimadzu’s advanced FTIR and latest ICP-MS technologies enable precise molecular and elemental analysis across a variety of samples.</p><h5><strong>2. Agilent Technologies: Advance Your Raw Material ID: How Handheld Raman Can Verify Materials Through Opaque Packaging</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 09:30 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4556">Registration</a></li></ul><p>We will discuss Agilent's handheld Vaya and mobile RapID solutions as well as demonstrate the Vaya's capabilities.</p><h5><strong>3. Syft Technologies: Selected Ion Flow Tube: Mass Spectrometry and its Applications</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 11:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4835">Registration</a></li></ul><p>We would like to invite you to a webinar dedicated to mass spectrometry topic and its applications. During the meeting, modern mass spectrometry techniques will be discussed.</p><h5><strong>4. Agilent Technologies: Advanced Optimization Techniques for GC Methods</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 11:30 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4857">Registration</a></li></ul><p>During the third session of the GC and GC/MS: Theory, Maintenance, and Optimization Webinar Series, we will present the basics of hardware including set-up, function and key components.</p><h5><strong>5. Agilent Technologies: GC Method Development from Beginner to Expert</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 17:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4515">Registration</a></li></ul><p>This presentation will go over building a GC method. We will discuss what to consider, where to start, and what to optimize.</p><h5><strong>6. GERSTEL: Extractables and Leachables: Overcoming Analytical Challenges with GC-MS</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 19:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4861">Registration</a></li></ul><p>Join Jack Stuff, Ph.D (GERSTEL, Inc.) and Michael Louis (Jordi Labs), for presentations on GC-MS techniques for Extractables and Leachables (E&amp;L) studies.</p><h5><strong>7. Agilent Technologies: Analysis of Volatile Organic Compounds Including Epichlorohydrin by GC/MS According to Directive (EU) 2020/2184</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 14:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4716">Registration</a></li></ul><p>A comprehensive methodology for the detection and quantification of VOCs including epichlorohydrin in water samples utilizing GC/MS is presented.</p><h5><strong>8. LECO: Upgrading your GCxGC Toolbox for Fuels Analysis</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4747">Registration</a></li></ul><p>This webinar covers LECO's hardware and software for analyzing petroleum products like aviation fuel, diesel, pyrolysis oil, and crude oil.</p><h5><strong>9. Agilent Technologies: GCMSD: Preventive Maintenance And Troubleshooting</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 12:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4858">Registration</a></li></ul><p>During the fourth and final part of the GC and GC/MS Webinar Series, we will present the main preventive maintenance operation as well as how to keep your instrument up and running to its maximal capacities.</p><h5><strong>10. Thermo Fisher Scientific: GC-MS Solutions to Emerging Persistent Organic Pollutants</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4906">Registration</a></li></ul><p>Join us virtually for an insightful webinar where our applications specialists will discuss various approaches to emerging persistent organic pollutants (POPs) analysis.</p><h5><strong>11. Agilent Technologies: Elimination of Second Surface Reflections in a UV-Vis-nir Reflectance Measurement</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 19:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/4891">Registration</a></li></ul><p>Join our webinar and learn how to eliminate second surface reflections in reflectance measurements for accurate results. Explore key principles &amp; live demonstrations.</p>

Webinars LabRulezGCMS Week 13/2025

<p><strong>In the week of March 24, the following webinars await you in the field of liquid phase and especially HPLC and LC/MS.</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. C&amp;EN/Agilent Technologies: Empowering Drug Metabolite Identification with a Novel LC/MS Software Workflow</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4848">Registration</a></li></ul><p>In this webinar, we describe a novel hi-res LC/MS strategy for drug metabolite identification and demonstrate with several known drugs.</p><h5><strong>2. SCIEX: Constructing confidence in your mass spectrometry method</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 17:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4788">Registration</a></li></ul><p>Understand commonly used terms for validation or verification and how to establish lower limits of quantitation of the method versus the instrument.</p><h5><strong>3. Bruker: Tailored Proteomics for Biomarker Research in Genetic Diseases: From Biofluids to Tissue Biopsies</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 10:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4847">Registration</a></li></ul><p>In this talk, Dr. Chiara Guerrera will present case studies of three rare genetic diseases, highlighting how we selected the most appropriate proteomics analyses to gain deeper insights into each condition.</p><h5><strong>4. Thermo Fisher Scientific: Towards sub-cellular mass spectrometry omics: The SEISMIC facility for spatially resolved single and sub-cellular omics</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4888">Registration</a></li></ul><p>In this webinar you will learn how the SEISMIC facility enables spatially resolved single-cell and sub-cellular 'omics' analysis.</p><h5><strong>5. Waters Corporation: Revolutionizing High Resolution Mass Spectrometry and Forensic Toxicology: Key Updates and Solutions</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4887">Registration</a></li></ul><p>Learn about the development and advancement of the Waters Forensic Screening Application Solution and recognize the benefits of using a single platform for improved usability.</p><h5><strong>6. Agilent Technologies: Small Molecule Chromatographic Purification in Pharmaceutical R&amp;D and Manufacturing</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4883">Registration</a></li></ul><p>This presentation will discuss the critical role small molecule purification plays within a pharmaceutical company.</p><h5><strong>7. Waters Corporation: Advances in Polyconjugate Vaccine Development: Leveraging SEC-MALS for Enhanced Quality Control and Efficacy</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4748">Registration</a></li></ul><p>This webinar explores advances in pneumococcal vaccines, focusing on development, production, and quality control.</p><h5><strong>8. Shimadzu Corporation: Innovations in SFC Applications and Technology for Pharma and Biopharma</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 19:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4889">Registration</a></li></ul><p>Join us for this event that will discuss how Shimadzu SFC technology is being used to drive innovation throughout the drug development process.</p><h5><strong>9. Agilent Technologies: Advanced Column Selection for SEC/GPC Analysis of Biomolecules</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 11:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4849">Registration</a></li></ul><p>In this webinar, we will highlight the main factors that define a strong SEC column and illustrate how they benefit the analysis of different modalities, including AAVs, VLPs, and large oligonucleotides.</p><h5><strong>10. Thermo Fisher Scientific: Unlocking the Secrets of Complex Pesticide Residues: Advanced Techniques with Compound Discoverer Software</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4863">Registration</a></li></ul><p>We discover how it is using Thermo Scientific™ Compound Discoverer™ software to revolutionize the analysis process and uncover the latest advancements that are now available in this innovative solution.</p><h5><strong>11. Evosep Biosystems: Industrialized Drug Discovery with the Evosep One</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4803">Registration</a></li></ul><p>In this webinar, we explore how Evosep One is shaping industrialized drug discovery by enabling higher sensitivity, reproducibility, and scalability—critical factors in developing new drug applications.</p><h5><strong>12. Evosep Biosystems: Accelerating Drug Discovery with high-throughput proteomics</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4770">Registration</a></li></ul><p>In this webinar we will look into how the Evosep One with high-throughput and sensitivity is a good fit when developing new drug applications or biologics license applications.</p><h5><strong>13. Metrohm: Pushing the Limits: Best Practices for Ultra-trace Ion Chromatography</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 18:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4890">Registration</a></li></ul><p>In this webinar, we’ll discuss best practices for trace-level analyses, including inline preconcentration strategies and methods to eliminate interfering portions of the sample matrix.</p><h5><strong>14. Agilent Technologies: Elimination of Second Surface Reflections in a UV-Vis-nir Reflectance Measurement</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 19:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/4891">Registration</a></li></ul><p>Join our webinar and learn how to eliminate second surface reflections in reflectance measurements for accurate results. Explore key principles &amp; live demonstrations.</p>

Webinars LabRulezLCMS Week 13/2025

<p><strong>In the week from March 24, the following webinars await you in the field of atomic and molecular spectroscopy and spectrometry</strong></p><blockquote><p><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></p><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>4 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Shimadzu Corporation: All About ICP-MS And FTIR: Essential Insights And Practical Applications</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 08:30 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4886">Registration</a></li></ul><p>Discover how Shimadzu’s advanced FTIR and latest ICP-MS technologies enable precise molecular and elemental analysis across a variety of samples.</p><h5><strong>2. Agilent Technologies: Advance Your Raw Material ID: How Handheld Raman Can Verify Materials Through Opaque Packaging</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 09:30 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4556">Registration</a></li></ul><p>We will discuss Agilent's handheld Vaya and mobile RapID solutions as well as demonstrate the Vaya's capabilities.</p><h5><strong>3. Mettler-Toledo: Basics of Moisture Determination</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 10:30 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4572">Registration</a></li></ul><p>Watch our webinar on the basics of moisture determination and learn how to achieve reliable moisture results with a halogen moisture analyzer.</p><h5><strong>4. Bruker: Getting started with the Magnettech ESR5000: Key benchtop spectrometer for dedicated EPR applications</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Tuesday, March 25, 2025, 16:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4805">Registration</a></li></ul><p>This webinar will cover the technical and practical aspects of the ESR5000, showcasing its capabilities in detecting free radicals and transition metals in various samples and chemical processes.</p><h5><strong>5. Separation Science: Unlocking Agricultural Potential: Fast, Cost-Effective, and Non-Destructive Analysis with FTIR Spectroscopy</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Wednesday, March 26, 2025, 14:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4800">Registration</a></li></ul><p>Join the research team in this webinar to discover how their findings are revolutionizing food research.</p><h5><strong>6. Thermo Fisher Scientific: Increasing Laboratory Productivity using easyAGD for Thermo Scientific iCAP MX Series ICP-MS</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 13:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4697">Registration</a></li></ul><p>Join this virtual demonstration of the Thermo Scientific iCAP MX Series ICP-MS to learn how to use the new easyAGD.</p><h5><strong>7. Agilent Technologies: Elimination of Second Surface Reflections in a UV-Vis-nir Reflectance Measurement</strong></h5><ul style="list-style-type:disc;"><li style="tab-stops:list 36.0pt;">Thursday, March 27, 2025, 19:00 CET</li><li style="tab-stops:list 36.0pt;"><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/webinar/4891">Registration</a></li></ul><p>Join our webinar and learn how to eliminate second surface reflections in reflectance measurements for accurate results. Explore key principles &amp; live demonstrations.</p>

Webinars LabRulezICPMS Week 13/2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 24th March 2025? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies, Shimadzu </strong>and <strong>Thermo Fisher Scientific</strong>!</p><h3><strong>1. Agilent Technologies: Fast Analysis of Human Malodor Compounds, Volatile Organic Acids by SPME and Column Backflushing</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_gc_ms_spme_voas_5994_8149en_agilent_8e03a19a0e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Human body odor is caused by the metabolism of sweat by a host of microorganisms in the human underarm. Human sweat is odorless and certain microbial species metabolize secreted sweat components into volatile, malodorous compounds. These bacterial species exist as a microbiome community. Some members of this community can enzymatically convert nonodorous components of human sweat into malodorous compounds, while others are not responsible for creating noxious smells. The human axillary hosts a wide array of bacterial species, including Corynebacterium jeikeium and Corynebacterium tuberculostearicum along with Staphylococcus aureus, Staphylococcus epidermidis and Staphylococcus hominis.<sup>1</sup> The relative population of each species within the microbiome community influences the number of malodorous compounds liberated from digested human sweat. Typically, a variety of volatile organic acids (VOAs) are produced and are comprised of long-chain fatty acids, fatty acids bound to amino acids, and sulfur-containing amino acids. However, several studies suggest that only a few, key odorants are predominately responsible for the negative human perception of body odor, which include E-3-methyl-2-hexenoic acid (E-3M2H), isovaleric acid, 3-methyl-3-sulfanylhexan-1-ol (3M3SH), and 3-hydroxy-3-methylhexanoic acid (HMHA)<sup>.2</sup></p><p>SPME is a technique invented in the early 1990s, where a fiber coated in an absorbent polymer phase is exposed to a sample, either by direct immersion or in the headspace above the sample (Figures 1 and 2).4 The target analytes are adsorbed from the sample to the phase, depending on affinity to the phase, and once reaching equilibrium, will be removed from the sample and desorbed onto the inlet of the GC. These methods of sample preparation and sample introduction have been especially useful in the analysis of low concentration compounds in volatile compounds and in decreasing the effects of heavy matrices.</p><p>Determining which GC column phase to select can be difficult when analyzing trace level aromatic compounds. Spectral deconvolution can be helpful in removing ions of coeluting compounds and in the identification of all peaks. The Agilent MassHunter Quantitative Analysis software with the Unknowns Analysis program is a tool that can be used to analyze multiple samples, deconvolute spectra, and compare retention times or retention index (RI) commercially available libraries such as NIST or user-created libraries.9 To demonstrate the benefit of combining these techniques, the application of analyzing malodor compounds was optimized to improve overall data quality and productivity.</p><h3><strong>Materials and methods</strong></h3><h4><strong>Method&nbsp;</strong></h4><p>A Gerstel <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=8&amp;search=MPS+Robotic"><strong>MPS Robotic Pro</strong></a> was installed on an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=8890+GC+5975+MSD"><strong>8890 GC system with an Agilent 5975 MSD</strong></a>. The SPME headspace parameters and MS conditions are listed in Tables 1 through 4. Data were analyzed using Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=MassHunter+Unknowns+Analysis"><strong>MassHunter Unknowns Analysis</strong></a>.</p><h3><strong>Conclusion&nbsp;</strong></h3><p>The use of solid phase microextraction (SPME) is a valuable sampling technique for measuring volatile organic compounds produced by human skin commensals, especially when considering the complex sample matrix of multispecies in vitro bacterial communities. The use of a polar column phase such as an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=1&amp;search=J%26W+DB-Wax+ultra+inert"><strong>J&amp;W DB-Wax UI</strong></a> GC column will provide better peak shape for organic acids than a nonpolar column. When switching to a more polar phase, the implementation of midcolumn backflush will help to remove unwanted high-boiling matrix contamination in the VOA sample at lower oven temperatures. This method allows for faster run times, extended column lifetimes, and reduced contamination of the MS source. The Agilent MassHunter Quantitative Analysis software with Unknowns Analysis can be used to easily deconvolute samples by searching against a commercial library or a user-created library to aid in faster sample analysis. Finally, combining SPME with midcolumn backflushing provides a major improvement in method runtimes compared to other methodologies.</p><h3><strong>2. Shimadzu: Extractable Study of Pharmaceutical Packaging and Delivery System Used for Ophthalmic Drug Product</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_06_saip_gc_039_en_cd40a66c6c.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>User Benefits:</strong></p><ul><li>ASSP™ and simultaneous Scan/MRM analysis facilitates accurate qualitative identification and quantitation at trace levels</li><li>UFsweeper™ allows quicker ion transmission in the collision cellsuppressing crosstalk &amp; enables faster MRM analysis</li><li>Thermal Desorption (TD) System offers a direct sampling feature that significantly reduces extraction time and prevents the loss of VOCs</li></ul><p>Extractable and leachable (E &amp; L) studies are becoming increasingly important in the pharmaceutical industry as it is mandatory requirement from FDA during filing of the drug product. The purpose of E &amp; L studies is to identify and evaluate possible toxicological risks. E &amp; L studies in the regulatory references aim to identify traces of potential chemical substances. These substances may be harmful to patients due to their toxicity or may impact the activity of the drug product. Hence, to ensure the safety and efficacy of the drug throughout its shelf-life period, E &amp; L studies play an important role. Impact of Extractables on efficacy and safety of the drug product is presented in Figure 1.</p><h4><strong>What are Extractables and Leachables?&nbsp;</strong></h4><p><strong>Extractables</strong> are organic and inorganic chemical entities that are released from a pharmaceutical packaging / delivery system, packaging component, or packaging material of construction into an extraction solvent under laboratory conditions. [1]&nbsp;</p><p><strong>Leachables</strong> are foreign organic and inorganic chemical entities that are present in a packaged drug product because they have leached into the packaged drug product from a packaging/delivery system, packaging component, or packaging material of construction under normal conditions of storage and use or during accelerated drug product stability studies [1].</p><h3><strong>Experimental design</strong></h3><p>There are many ways by which extractable study can be designed like generating extract by maceration (solvent soaking), by reflux/Soxhlet/sealed vessel/sonication or solvent extraction (manually and automated) etc. [1] However, one can perform this study by direct heating the CCP using the technique such as TD System.&nbsp;</p><p>Physical as well as chemical properties of the sample should be considered while designing the extraction experiment. Polarity, pH and chemical components of the drug product plays an important role in the extraction process. Extractable study is performed at accelerated temperature conditions considering worst case scenario for storage of the drug product.&nbsp;</p><p>Here, we conducted extractable study at variable pH and by refluxing the CCP with solvents of different polarities. Also, TD System was utilized for the assessment of extractable study. Empty CCP designed for the storage of Ophthalmic drug product were purchased from the local resource. Using these CCP’s, multiple experiments were performed and acquired data were evaluated to identify the potential extractables. Below are the detailed explanation for Experiment A, B, C, D, E etc. Experiment A is performed by incubating CCP in aqueous solutions having different pH values and experiment B, C, D &amp; E were performed by refluxing the CCP with organic solvents of different polarities.</p><h3><strong>Mathods of analysis</strong></h3><h4><strong>Method-I:&nbsp;</strong></h4><p>In this method, seventeen standards were analyzed by <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=GCMS-TQ8040+NX"><strong>GCMS-TQ8040 NX</strong></a> with <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=3&amp;search=AOC-20i+autosampler"><strong>AOC-20i autosampler</strong></a>. For the method suitability, few important parameters like system suitability, linearity and LOQ precision were performed. Instrument Parameters are as mentioned below.</p><h4><strong>Conclusion</strong></h4><ul><li>The chromatographic profile of solvent reflux experiment shows higher number of extractables than aqueous incubation. Furthermore, in aqueous incubation, the content of extractables is well below the AET level. Since, placebo of the ophthalmic drug product is completely aqueous, CCP may be used for the storage.&nbsp;</li><li>Chromatographic profile from different experiments conclude that, the compounds detected in solvent extraction are different than the compounds obtained in TD analysis. Thus, additional information obtained from TD profile will further facilitate material characterization.&nbsp;</li><li>Shimadzu’s GCMS-TQ8040 NX triple quadrupole mass spectrometer provides high scan speed of 20000 amu/sec with ASSP technology which enables simultaneous SCAN/MRM analysis which is critical in E&amp;L study. The UFsweeper technology enables 800 MRMs/sec which minimizes cross-talk, enhances selectivity &amp; sensitivity.</li></ul><h3><strong>3. Thermo Fisher Scientific: Quantitation of volatile PFAS in environmental samples using SPME Arrow and Orbitrap Exploris GC</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003507_gc_orbitrap_exploris_gc_hram_pfas_an003507_na_en_a23c863bda.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>Application benefits</strong></p><ul><li>A simple and robust sample preparation for volatile PFAS based on SPME Arrow for reducing manual handling and potential contamination issues.</li><li>Sensitive and quantitative analysis of volatile PFAS in complex environmental samples using high resolution accurate mass (HRAM) that meets challenging reporting limits.</li><li>Flexible data processing using full scan HRAM to include additional points of confirmation and quickly increase scope of analysis without reanalysis.</li></ul><p>Per- and polyfluoroalkyl substances (PFAS) contain one or more alkyl radicals with all the hydrogens replaced by fluorine atoms. Traditionally, two groups of PFAS have been of the most concern and subject to control and monitoring. The first group includes ionic (or acidic) PFAS—the perfluorocarboxylic acids (perfluorooctanoic acid (PFOA)) and perfluoroalkylsulfonates (perfluorooctanesulfonic acid (PFOS))—where LC-MS-MS is the most common analytical technique. The second group includes neutral (or volatile) PFAS—the fluorotelomer alcohols1 (FTOHs) and N-substituted fluoroalkylsulfonamides (FOSAs). For this group, due to the volatility, GC-MS is the analytical method of choice and is the focus of this study.</p><p>The accurate analysis of PFAS by testing laboratories requires robust and streamlined analytical workflows. These methods must overcome the challenges of an ever-growing list of PFAS compounds, diversity of sample matrices, and demanding analytical performance requirements. Typically, a gas chromatography instrument coupled to low-resolution, nominal mass triple quadruple mass spectrometer (GC-MS/MS) has been the system of choice for the sensitive and selective detection of a wide range of target PFAS compounds. However, the development of high-resolution accurate mass (HRAM) Orbitrap mass spectrometry coupled to GC has proved to be a valuable alternative to triple quadrupole GC-MS. With HRAM mass spectrometry, the default acquisition mode is untargeted (fullscan) meaning that all the ions are acquired with high selectivity at the same time across a specified mass range, making the method setup and data acquisition simple to manage and giving the analyst the flexibility to decide on which compounds to focus. This can extend into retrospective analysis of data to evaluate for the presence/absence of other contaminants not necessarily of interest at the time of acquisition. For example, this could allow the search for other PFAS compounds beyond the target list.&nbsp;</p><p>In this study, the performance of the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Orbitrap Exploris GC </strong></a>high-resolution accurate mass (HRAM) spectrometer together with the headspace solid phase micro extraction (SPME) Arrow for the quantitative analysis of volatile PFAS including FTOH, fluorotelomer acrylates (FTACs), fluorotelomer methacrylates (FTMACs), fluorotelomer iodides (FTIs), Me/Et-FOSAs, and Me/Et-FOSEs is demonstrated.</p><h3><strong>Experimental</strong></h3><p>Instrument and method setup Headspace extraction and injection of samples were performed using the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?search=TriPlus+RSH+SMART+autosampler"><strong>TriPlus™ RSH SMART autosampler</strong></a> equipped with the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=SMART+SPME+Arrow"><strong>SMART SPME Arrow</strong></a> 1.1 mm PDMS 100 µm fiber (P/N 36SA10P1-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 a nitrogen flow using an SPME conditioning station to avoid sample carryover between injections. Further details surrounding the SPME Arrow operating parameters can be found in Table 1.</p><p>A Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TRACE+1610+GC"><strong>TRACE™ 1610 GC</strong></a> equipped with a Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=TraceGOLD+TG-5SilMS"><strong>TraceGOLD™ TG-5SilMS</strong></a> (30 m × 0.25 mm I.D. × 0.25 µm film) capillary column (P/N 26096-1420) 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 an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/472"><strong>Orbitrap Exploris GC mass spectrometer.</strong></a> Additional MS method parameters are summarized in Table 2. 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 was performed using the Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Chromeleon"><strong>Chromeleon</strong></a>™ version 7.3.2 Chromatography Data System (CDS) software. Additional screening data processing was done using Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=2&amp;search=Compound+Discoverer"><strong>Compound Discoverer</strong></a>™ software with the Thermo Scientific™ Orbitrap GC-MS HRAM Contaminants Library.</p><h3><strong>Conclusion&nbsp;</strong></h3><p>Volatile perfluoroalkyl substances (PFAS) have become a significant focus in environmental analysis due to their potential health and environmental risks. The inherent complexity of environmental samples and the need for minimal sample handing of volatile PFAS is critical in accurate quantitation and detection. The method presented utilizes a combination of HS-SPME Arrow with an Orbitrap Exploris GC to provide an efficient workflow for the analysis of PFAS compounds giving analytical advantages including:&nbsp;</p><ul><li>Minimal sample preparation and online extraction using the TriPlus RSH SMART robotic autosampler increase the sample throughput and minimize the risk of contamination. Using SPME Arrow extraction technique, good recovery of all target volatile PFAS compounds was demonstrated.&nbsp;</li><li>Full scan acquisition at high mass resolution provides targeted quantitative analysis together with non-target analysis to quickly increase the scope of analysis and screen for other compounds outside the target list.&nbsp;</li><li>Full scan acquisition facilitates versatile data processing and allows for the incorporation of additional confirmation points, including supplementary confirmation ions, spectral matching, and isotope pattern.&nbsp;</li><li>Limits of detection ranging from 0.1 to 1.4 ng/L are well below the target 5 ng/L level of PFAS compounds in complex environmental matrices.&nbsp;</li><li>Application of the method to real samples showed PFAS compounds present in all samples with some very high concentrations in crude sewage and landfill leachate.</li></ul>

News from LabRulezGCMS Library - Week 13, 2025

News from LabRulezLCMS Library - Week 13, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 24th March 2025? Check out new documents from the field of spectroscopy/spectrometry and related techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> libraries.</p></blockquote><p>This week we bring you guide by <strong>Agilent Technologies, </strong>other document by<strong> Mestrelab Research </strong>and brochure by<strong> Shimadzu!</strong></p><h3><strong>1. Agilent Technologies: Trace Metals in Water &amp; Waste Samples Using an Agilent 7850 or 7900 ICP-MS</strong></h3><p><strong>Consumable workflow ordering guide for EPA 200.8, EPA 6020A and ISO 17294-2</strong></p><ul><li>Guides</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/selectionguide_consumables_regulated_methods_icp_ms_7850_7900_5994_3274en_agilent_19016f44a5.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Water quality has a direct impact on the health of all ecosystems, therefore environmental monitoring of water is often subject to strict legislation.&nbsp;</strong></h4><p><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?search=EPA+200.8"><strong>EPA 200.8</strong></a> provides procedures for determination of dissolved elements in ground, surface and drinking waters and requires labs to carry out performance and quality control (QC) tests to verify the quality of the data.&nbsp;</p><p><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?search=EPA+Method+6020A"><strong>EPA Method 6020A</strong></a> is a performance-based ICP-MS method that can be applied to the determination of over 60 elements in various matrices. Typical sample types include surface water, groundwater, industrial wastes, soils, sludges, sediments, and other solid wastes for which determination of total (acid-leachable) elemental concentrations are required.&nbsp;</p><p>The international standard <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?search=ISO+17294-2"><strong>ISO 17294-2</strong></a> specifies an ICP-MS method for the determination of more than 60 elements in drinking water, surface water, ground water, and wastewater. The list includes analytes covering a wide concentration range from ultra-trace level to major elements. Analytes include Hg, As, Se, Sb, Ag, Sn, Mo, and Tl, all of which are more stable in solutions that contain HCl. The routine addition of HCl to samples is now possible, as all Agilent ICP-MS systems include the ORS4 collision reaction cell, which operates in helium collision mode to resolve common polyatomic interferences including those formed from Cl.&nbsp;</p><p>Some sample types may also contain novel contaminants such as rare earth elements (REEs), which can form doubly charged ion (M2+) overlaps on some required analytes such as Zn, As, and Se. Agilent ICP-MS systems support a novel half-mass mode which allows simple, automatic correction of the REE2+ interferences.</p><p>If you are running water samples, the preferred configuration of Agilent ICPMS is the solution ready <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;search=7850+icp-ms"><strong>7850</strong></a>. The 7850 will free your workflow from common time traps. The 7850's Ultra High Matrix Introduction (UHMI) system uses an argon stream to dilute samples. Samples with matrix levels up to 25% TDS can be measured without time-consuming and error-prone manual dilutions. The helium collision cell and half-mass correction of the 7850 automatically remove polyatomic and doubly-charged ion interferences. These functions simplify method development and remove a common cause of measurement failure.&nbsp;</p><p>If water samples are only the start of your analysis needs, the Agilent <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;search=7900+icp-ms"><strong>7900 ICP-MS</strong></a> provides extended capabilities for more demanding applications. The 7900 offers greater flexibility, the industry’s lowest detection limits, and the widest dynamic range to meet all your sample challenges.&nbsp;</p><p>An Agilent ICP-MS system meets the method requirements by providing the highest matrix tolerance for varied water samples, the widest elemental coverage (including Hg, if HCl is added to all samples), the simplest control of interferences using He cell gas, and the widest concentration coverage with the 10 or 11 orders dynamic range detector.&nbsp;</p><p>Agilent 7850/7900 ICP-MS include fully developed methods for regulated and routine methods to save you weeks of method development and documentation time. Preset Methods for EPA 200.8, EPA 6020A, and Drinking Water (with He cell mode) predefine all the required operating parameters.</p><h3><strong>2. Mestrelab Research: Automated qNMR data processing and analysis in the behind-the-scenes of fragment-based drug discovery</strong></h3><ul><li>Others</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Automated_q_NMR_Case_Study_ICR_fae7d73921.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Bringing new drugs into the market is a complex and long process that often requires several years of investigation and considerable human, technological, and economic resources. In the labs of the Cancer Research UK Cancer Therapeutics Unit at The Institute of Cancer Research, London, a Fragment-Based Drug Discovery (FBDD) program has been established for screening and identifying lead compounds with potential therapeutic effects that may serve as starting points for the development of potent drug candidates.&nbsp;</p><p>In their primary screening, researchers in the structural chemistry team rely on Nuclear Magnetic Resonance (NMR) spectroscopy to determine the aqueous solubility and curate a 2860-compound library that feeds multiple research projects. Fragment solubility is one of the most challenging factors in the drug discovery and formulation process as it impacts delivery and bioavailability; so, by performing this first screening, weakly soluble fragments (solubility &lt;500uM) are identified and excluded from the following steps. This process involves spectral acquisition on two 500 MHz spectrometers, processing of thousands of datasets, then manual collection and transfer of data for analysis in spreadsheets – an overwhelming and time-consuming task for scientists that marks only the beginning of a longer discovery process.</p><h4><strong>From manual process to automation</strong></h4><p>Carrying on with such a colossal project was impossible without automating parts of the workflow: so much data was generated and needed analysis and interpretation. So, in 2018, the <strong>Mnova automation </strong>solution (also known as “Mnova Gears” or simply “Mgears”) was adopted by the team to streamline the primary screening steps and improve the workflow efficiency. Mgears is a simple module that can automate complex postacquisition tasks and alleviate the burden of manual analysis by busy scientists.</p><h4><strong>A time- and resource-efficient screening</strong></h4><p>Automating the analysis with Mnova Gears has been a game changer for the team; it has allowed them to upscale the high-quality processing and analysis capabilities of Mnova qNMR to increase lab productivity and process robustness.&nbsp;</p><p>While 80% of the high-throughput analysis is now done by the automation engine, only minimal user intervention is required for the reviewing of final results. This has reduced by nearly six times the overall time spent on each spectrum which has allowed scientists to focus on more innovative and challenging tasks that are more suited to being performed by a highly trained specialist.</p><p>In addition, the output of the automated process is not only more accurate than when it was done manually, but also nicer and more homogeneous, which saved huge time on preparing manual reports, and significantly improved data management practices.</p><h4><strong>Decision making: quicker and more confident</strong></h4><p>One of the best things with Mnova Gears, is that the results are saved into a HTML report that can be quickly checked and exported to other report formats. Compounds that are not soluble at 500uM are rapidly spotted and excluded from downstream studies, while inconsistent and problematic results are loaded into Mnova for a closer inspection, explained Maggie Liu, expert NMR Spectroscopist in the structural chemistry team at The Institute of Cancer Research (ICR). The Mgears product comes with a nice and handy result viewer that enables sample revision, edition, and reprocessing when needed. So, it becomes very easy to investigate the reason behind a wrong calculation, to correct the spectrum and to update the result.</p><h3><strong>3. Shimadzu: Energy Dispersive X-ray Fluorescence Spectrometer ALTRACE</strong></h3><ul><li>Brochures and specifications</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/C142_E050_88489077bc.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Pushing the Boundaries of Detection&nbsp;</strong></h4><ul><li>Detect trace elements with ease.&nbsp;</li><li>A combination of optical system design and Shimadzu's proprietary high-speed signal processing technology allows ALTRACE to reach new heights in terms of sensitivity.</li></ul><h4><strong>Unparalleled Sensitivity&nbsp;</strong></h4><ul><li>Implement batch elemental analysis from the ppm to percent levels.&nbsp;</li><li>Screen from sub ppm to percent levels.&nbsp;</li><li>Convenient analysis of liquid and powder samples.&nbsp;</li></ul><h4><strong>Escape from Complicated Pretreatment&nbsp;</strong></h4><ul><li>No need for complicated chemical pretreatment before analysis.&nbsp;</li><li>Direct and simple screening, and also precise.&nbsp;</li><li>Lower cost and easier operation compared to methods that incorporate pretreatment.&nbsp;</li></ul><h4><strong>High Throughput and Efficiency&nbsp;</strong></h4><ul><li>Automatic consecutive analyses of up to 48 samples&nbsp;</li><li>User-friendly drawer style tray&nbsp;</li><li>Support for interrupted analysis during measurements</li></ul>

News from LabRulezICPMS Library - Week 13, 2025

New strategies for non-targeted quantification in comprehensive two-dimensional gas chromatography: The potential of reconstructed TIC response factor surfaces

Hydrophilic interaction liquid chromatography: An efficient tool for assessing thorium interaction with phosphorylated biomimetic peptides

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LECO Separation Science Workshop

Thermo Fisher Scientific at SOFT/TIAFT 2026

Bruker at SOFT-TIAFT 2026

A novel monodisperse supermacroporous reversed-phase platform for comprehensive nucleic acid analysis across a broad size range

How is capillary electrophoresis being used to analyze DNA and RNA

Expanding the Evidence: New Data for More Reliable PFAS Analysis