Profiling of free fatty acids in wort using an isolator column-assisted LC-MS/MS approach

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 25th August 2025? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS 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://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you poster by <strong>Agilent Technologies / ASMS, </strong>brochure by<strong> Shimadzu, </strong>other document by<strong> Thermo Fisher Scientific </strong>and application note by <strong>Waters Corporation!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Highly Sensitive Quantitation of N-Nitroso Timolol Impurity in Timolol API using the Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=6495D+LC%2FTQ"><strong>6495D LC/TQ</strong></a></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ps_6495d_nitrosamines_asms_2025_mp_548_en_agilent_7c9b0b32ef.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Nitrosamines are of concern as most of them have been reported to be potent mutagens in rodents and are potential carcinogens. Therefore, it is important to control these impurities at or below the stipulated specification limits. API-derived complex nitrosamines are known as nitrosamine drug substance-related impurities (NDSRIs). Multiple recalls of pharmaceutical drug products due to the presence of NDSRIs have drawn the attention of regulators and manufacturers. By considering the complexity of the global pharmaceutical supply chain, manufacturers must be more diligent to protect consumers by screening their APIs and drug products for the presence of NDSRIs. NDSRIs can be formed from both secondary and tertiary amines. Secondary amines can easily undergo nitrosation in the presence of trace amounts of acid. Timolol is beta-blocker class of drug used for hypertension. N-nitroso timolol is an API specific nitrosamine impurity. For most NDSRIs, analytical methods are not yet available, so manufacturers will need to develop, qualify, and validate a method that is suitable for the sample matrix and specific for the nitrosamines in question.</p><p>The analytical method developed must be sensitive enough to quantify the nitrosamines of interest down to a level that corresponds to 10% of specification limit.</p><p>In this poster we highlight a highly specific, sensitive, and reproducible method that was developed for the quantitation of N-nitroso Timolol impurity in Timolol drug substance using the 6495D triple quadrupole LC/MS (LC/TQ) coupled to the 1290 Infinity II LC.</p><h4><strong>Experimental</strong></h4><h5><strong>LC configurations and parameters:</strong></h5><ul><li><strong>Instrument:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=6495D+LC%2FTQ"><strong>Agilent 6495D LC/TQ</strong></a> coupled to <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=1290+Infinity+II+LC"><strong>1290 Infinity II LC</strong></a></li><li><strong>Analytical Column: </strong>Agilent Infinity Lab Poroshell PhenylHexyl, 150 × 3.0 mm, 2.7 µm, p/n, 693975-312</li></ul><h4><strong>Conclusions</strong></h4><p>A highly sensitive and robust multiple reaction monitoring (MRM) method was developed utilizing the Agilent 6495D LC/TQ to quantify N-nitroso timolol impurity in timolol API. &nbsp;</p><ul><li>The chromatographic method provided desirable separation between the impurity and the API to avoid interference.&nbsp;</li><li>The developed method demonstrated excellent linearity over the range of 5 to 1500 pg/mL (0.5 to 150 ppb with 100 mg/mL API load) with an R2 value greater than 0.9990&nbsp;</li><li>The LOD and LOQ values achieved were 2 and 5 pg/mL respectively for targeted NDSRI&nbsp;</li><li>The method provided recovery between 90 and 110%, which is within the acceptance criteria</li></ul><h3><strong>2. Shimadzu: Liquid Chromatograph Mass Spectrometer </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-8065XE"><strong>LCMS-8065XE&nbsp;</strong></a></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/c146_e500_526bbea8e9.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>Shimadzu LCMS-8065XE: Next-Generation Triple-Quadrupole Performance</strong></h5><p>Shimadzu introduces the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-8065XE"><strong>LCMS-8065XE</strong></a>, a triple-quadrupole liquid chromatograph mass spectrometer designed to set new standards in sensitivity, speed, and robustness. Built on Shimadzu’s philosophy of “Contributing to Society Through Science and Technology,” the system integrates advanced hardware with Analytical Intelligence software, ensuring both expert-level optimization and user-friendly operation. This balance of evolved, efficient, and exact capabilities makes the LCMS-8065XE a powerful solution for modern laboratories.</p><h5><strong>Breakthrough Ionization and Detection Technologies</strong></h5><p>At the heart of the system are innovations such as the <strong>StreamFocus ESI probe</strong> and IonFocus technology, which enhance ion intake, reduce gas consumption, and eliminate contamination without compromising sensitivity. Combined with the refined <strong>UFsweeper IV collision cell,</strong> the instrument achieves exceptional signal transmission and robust long-term stability. Demonstrated by ultra-trace PFAS detection at parts-per-trillion levels, the LCMS-8065XE ensures reliable results even under continuous high-throughput conditions.</p><h5><strong>Ultra-Fast Mass Spectrometry with UF Technologies</strong></h5><p>Shimadzu’s proprietary UF technologies—including UF-Qarray II, UF-Lens II, and UF-MRM—deliver unmatched speed and sensitivity. Capable of 5 msec polarity switching, up to 555 MRM channels per second, and scanning at 30,000 u/sec, the system supports complex multi-component analyses with precision. Intelligent maintenance features, such as quick desolvation line replacement without breaking vacuum, further minimize downtime and maximize laboratory productivity.</p><h5><strong>Smart Software, Sustainability, and Seamless Integration</strong></h5><p>The LCMS-8065XE is complemented by Peakintelligence AI algorithms, LabSolutions Connect MRM, and LabSolutions Insight, enabling automated tuning, optimized methods, and reliable peak integration with reduced manual review time. Sustainability is also central: ecology mode reduces power consumption by up to 31%, while integration with Shimadzu’s Nexera UHPLC system improves throughput and reduces resource use. Features like FlowPilot smart flow control and automatic bubble detection ensure uninterrupted performance, extending system and column lifetimes while cutting operational costs.</p><h3><strong>3. Thermo Fisher Scientific: Accucore columns Resolve all your impurities without feeling the pressure</strong></h3><ul><li>Other document</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/fl_002099_ccs_lc_columns_accucore_C18_HILIC_phenyl_fl002099_na_en_db7abbabd7.pdf"><strong>Full PDF for download</strong></a></li></ul><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=48&amp;manufacturerItems=3&amp;search=accucore"><strong>Thermo Scientific™ Accucore™ columns</strong> </a>bring UHPLC-level performance to both HPLC and UHPLC systems, even when pressure capabilities are limited. With <strong>14 distinct chemistries</strong>, they provide an extensive toolbox for successful method development and robust method transfer. Built on decades of innovation in stationary phase design, Accucore columns ensure reliable performance across diverse analytical challenges.</p><h5><strong>Comprehensive Chemistry Portfolio for Any Separation Need</strong></h5><p>The Accucore family includes multiple column chemistries tailored to different selectivity requirements. <strong>Hydrophobic options like </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/427"><strong>C18</strong></a><strong>, </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/428"><strong>C8</strong></a><strong>, and </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1990"><strong>C4</strong></a><strong> </strong>deliver classic reversed-phase separations, while <strong>polar-modified C18</strong> (<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/430"><strong>Polar Premium</strong></a><strong>, </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/429"><strong>aQ</strong></a>) enhances retention of acidic and basic compounds. <strong>Phenyl-based phases</strong> such as <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/424"><strong>Biphenyl</strong></a><strong>, </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/431"><strong>Phenyl-Hexyl</strong></a><strong>, and </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1985"><strong>PFP</strong></a> provide orthogonal selectivity for aromatic and polar analytes, and <strong>specialty hydrophobic columns (</strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/426"><strong>RP-MS</strong></a><strong>, </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1988"><strong>C30</strong></a>) expand capabilities for structural isomer separation. For highly polar compounds, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1987"><strong>HILIC</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1989"><strong>Amide-HILIC</strong></a> chemistries enable reliable retention and resolution.</p><h5><strong>Optimized for Speed, Sensitivity, and Versatility</strong></h5><p>Engineered with advanced particle design, Accucore columns offer rapid separations with high resolution and reproducibility. Their versatility makes them suitable for a wide range of applications, from pharmaceutical impurity profiling to food and environmental analysis. By offering both routine and specialty phases, the columns allow analysts to fine-tune selectivity and maximize productivity without compromising robustness.</p><h5><strong>Trusted Innovation and Seamless Integration</strong></h5><p>As part of Thermo Fisher Scientific’s portfolio, Accucore columns are backed by extensive expertise in HPLC method development and transfer. Their design supports high-throughput workflows, smooth integration into existing systems, and consistent results across laboratories. Whether the need is for routine testing or complex separations, Accucore columns deliver dependable performance with the flexibility to resolve impurities efficiently and confidently.</p><h3><strong>4. Waters Corporation: Temperature Control Using Waters LC Purification Systems with Timberline's Column and Mobile Phase Heaters: Optimizing Preparative Performance&nbsp;</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008874_en_6514d1a04e.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Benefits&nbsp;</strong></h4><ul><li>Minimizing method redevelopment at the prep scale improves process efficiency and reproducibility, ensuring predictable and reliable outcomes for isolating small and large molecules, such as oligonucleotides and peptides.&nbsp;</li><li>Elevated temperature reduces system backpressure and enables one to consider using of sub-5 µm <strong>Waters™ preparative Optimum Bed Density (OBD™) columns </strong>to increase productivity through faster separations, increased loading capacity, lower solvent consumption, shorter fraction dry-down times, and reduced waste disposal costs.&nbsp;</li><li>Enabling the substitution of acetonitrile with methanol provides a more environmentally sustainable and economically efficient purification process.</li></ul><p>Although temperature control is widely implemented in analytical HPLC to improve separations and ensure consistent and reliable outcomes, temperature is seldom controlled or used as a parameter for manipulating chromatography at the preparative scale for two reasons. First, high flow rate separations occur at the temperature of the incoming solvent and efficient heating of the mobile phase entering the column is challenging at these high flow rates. Second, large diameter columns cannot be effectively heated from the outside simply by using insulation, heated blankets or ovens. Ideally, analytical separations developed with temperature control should be scaled to prep at the same temperature to eliminate variability in the chromatography which can make the target identification and isolation ambiguous or lead to product loss.&nbsp;</p><p>When used with the Waters AutoPurification System, Timberline’s column and mobile phase heaters provide precise and consistent temperature control for preparative separations, allowing easier scale-up from UPLC/UHPLC to preparative methods. This integrated approach minimizes the need for method redevelopment, improves reproducibility, enhances hydrophobic compound solubility and boosts operational efficiency, which is particularly valuable in small molecule isolations and biological applications such as oligonucleotide and peptide purification. Temperature control also enhances flexibility in purification workflows, supporting green chemistry initiatives by enabling the substitution of acetonitrile with methanol. Elevated temperature reduces system backpressure, allowing the usage of sub-5 µm particles in larger-dimension preparative columns (e.g., 10 mm ID), which may increase loading capacity, minimize run-times, reduce solvent consumption, shorten dry-down times and lower waste disposal costs. This technical brief illustrates that comparable purification results can be achieved using methanol with sub-5 µm 10 mm ID columns, an approach that is both environmentally sustainable and economically viable. It also illustrates the precision and stability of temperature control across various flow rates and mobile phase compositions, showcasing the reliability of this solution.</p><h4><strong>Conclusion&nbsp;</strong></h4><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=5&amp;search=Timberline%E2%80%99s+TL-105+D+column"><strong>Timberline’s TL-105 D column</strong></a> oven configured with the Waters AutoPurification System provides precise and consistent temperature control when scaling from analytical to preparative methods. This significantly reduces the need for method redevelopment at the prep scale, enhances chromatographic efficiency and reproducibility and delivers predictable and reliable outcomes for various applications including small and large molecules such as oligonucleotides and peptides isolations.</p><p>This combined solution supports the growing demand for green chemistry by enabling the substitution of acetonitrile with methanol. Enhanced temperature control also lowers system backpressure, allowing the use of smaller particle size, larger dimension Waters preparative OBD columns. This results in faster separations, increased loading capacity, reduced solvent consumption, shorter fraction dry-down times, and lower waste disposal costs. These benefits contribute to a more environmentally sustainable and economically efficient purification process.</p>

News from LabRulezLCMS Library - Week 35, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 1st September 2025? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS 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://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application note by <strong>Agilent Technologies, </strong>posters by<strong> Shimadzu </strong>and <strong>Waters Corporation </strong>and<strong> </strong>other document by<strong> Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: PFAS Analysis in Human Plasma Using the Agilent Ultivo Triple Quadrupole LC/MS&nbsp;</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_pfas_ultivo_tq_lcms_5994_8487en_agilent_2968eb7f88.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Perfluoroalkyl and polyfluoroalkyl substances (PFAS) are a group of synthetic compounds that have been widely used in various industrial and consumer applications, including cosmetics and personal care products. Due to their widespread use, persistence in the environment, and known bioaccumulation with adverse effects, PFAS are a significant concern for human health. For example, PFAS have been linked to several adverse health effects, including cardiometabolic diseases,<sup>1</sup> reproductive effects,<sup>2</sup> and increased risk of certain cancers.<sup>3</sup> PFAS exposure has been shown to lead to alterations in lipid and energy metabolism, contributing to metabolic dysfunction.<sup>4,5</sup> It is also known that PFAS accumulate in liver and other tissues, contributing to age‑related morbidities.<sup>6</sup> To increase the understanding the molecular basis of these effects, analysis of PFAS in blood plasma has been combined with lipidomics to identify the lipid biomarkers associated with metabolic risks.<sup>7</sup> Further, the PFAS concentrations in serum have also been shown to differ by gender<sup>7,8 </sup>and ethnicity.<sup>9</sup> Considering these and other findings, monitoring PFAS levels in plasma is important to understand their health impacts and develop strategies for their mitigation. This application note validates an LC/MS/MS method for targeted quantification of fourteen PFAS in plasma using the Agilent Ultivo Triple Quadrupole (TQ) LC/MS. For the method presented, the Ultivo LC/TQ offers performances on par with mid- to high-end TQ systems in a much smaller footprint. The protein-precipitation-based sample preparation method is fast and effective for plasma samples. Method performance in terms of sensitivity, linearity, carryover, accuracy, and precision are described. Stability of targeted PFAS in quality control (QC) samples and analysis of real human plasma samples are also discussed.</p><h4><strong>Experimental</strong></h4><h5><strong>Instrumentation and LC/MS/MS method&nbsp;</strong></h5><p>Chromatographic conditions were optimized for analyte separation and retention time for each of the PFAS as determined by analyzing the labeled and non-labeled standards. PFAS were separated by reversed-phase LC on an Agilent InfinityLab Poroshell 120 EC‑C18, 2.1 × 50&nbsp;mm, 2.7 μm (part number 699775-902) and detected in negative electrospray ionization (ESI) mode using an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=1290+Infinity%C2%A0II+LC"><strong>Agilent 1290 Infinity&nbsp;II LC</strong></a> system coupled with the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=Ultivo+LC%2FTQ"><strong>Ultivo LC/TQ</strong></a>. The liquid chromatograph was equipped with a binary pump (part number G7120A), column compartment (part number G7116B), and Agilent 1290 Infinity II Multisampler (part&nbsp;number G7167B). For each experiment, 5 μL of extract was injected. The LC parameters are listed in Table 2. The Ultivo LC/TQ was operated in dynamic multiple reaction monitoring (dMRM) mode. The dMRM parameters and retention times were optimized by analyzing each unlabeled PFAS standard. The MS parameters are listed in Table&nbsp;3. The Agilent <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=MassHunter+Acquisition+software"><strong>MassHunter Acquisition software</strong></a> dMRM parameters per PFAS are in Table 4. Agilent <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=MassHunter+Quantitative+Analysis+software"><strong>MassHunter Quantitative Analysis software </strong></a>was used for data processing.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The quantitative method for the analysis of 14 PFAS in human plasma samples that is presented here is simple and robust, uses relatively small plasma volumes, and relies on fast and effective protein precipitation, facilitating its large-scale application. The method's sensitivity, linearity, carryover, recovery, and precision make it scalable to population-based studies and biomonitoring. The compact, stackable Ultivo LC/TQ and MassHunter software, in combination with columns and consumables from Agilent Technologies, offer a fit-for-purpose, end-to-end solution to enable widespread adoption in both routine monitoring and research. The method has already been used in combination with plasma lipidomics to characterize the relationship of circulating PFAS and lipidomic profiles.7 These types of studies promise to reveal the molecular basis of the adverse effect of PFAS exposure on human health&nbsp;outcomes.</p><h3><strong>2. Shimadzu / ASMS: One System, Multiple Solutions: Analysis of PFAS &amp; Cyanotoxins in Water Adhering to EPA 537.1, 544, and 545&nbsp;</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ASMS_25_WP_134_197d4ffd22.pdf"><strong>Full PDF for download</strong></a></li><li>PFAS are persistent synthetic chemicals found in consumer and industrial products, while cyanotoxins are harmful substances produced by cyanobacteria in water bodies.&nbsp;</li><li>EPA Methods 537.1 and 533 are approved by EPA for PFAS analysis in drinking water; Methods 544 and 545 target cyanotoxins like microcystins, nodularin, cylindrospermopsin, and anatoxin-a.&nbsp;</li><li>A single Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-8060RX"><strong>LCMS-8060RX</strong></a> system with automatic method switching enables efficient, accurate analysis of PFAS and cyanotoxins, reducing equipment needs and turnaround time.</li></ul><h4><strong>2. Methods</strong></h4><p>Figure 1 illustrates the LC-MS system’s method-switching capability, enabling seamless transitions between EPA Methods 537.1, 544, and 545 on a single platform. For EPA Method 537.1 (PFAS analysis), the flow path includes the delay column to remove background PFAS. In contrast, for EPA Methods 544 and 545 (cyanotoxin analysis), the delay column is bypassed to prevent unnecessary contaminations, ensuring accurate results. This automation enhances workflow efficiency and analytical flexibility.&nbsp;</p><p>To prevent mobile phase contamination when switching between PFAS and cyanotoxin analysis, a simple five-minute rinse (the flow path indicated by the red lines in Figure 2) with the appropriate mobile phase is shown to be sufficient.</p><h4><strong>4. Conclusion</strong></h4><p>This study shows that PFAS and cyanotoxins can be accurately measured using one triple quadrupole mass spectrometer with automatic method switching. A quick five-minute rinse ensures clean transitions between methods, minimizing downtime and manual work. This streamlined setup reduces equipment costs, boosts efficiency, and supports high-throughput environmental testing, including rapid response to events like harmful algal blooms.&nbsp;</p><h3><strong>3. Thermo Fisher Scientific: Nestlé develops an </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/401"><strong>Orbitrap Exploris 480 mass spectrometer</strong></a><strong> method for wide-scope analysis of pesticides and natural toxins in foods</strong></h3><ul><li>Other document (Case study)</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/cs_003406_lsms_nestle_orbitrap_exploris_480_case_study_cs003406_na_en_790e517c7d.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Nestlé is committed to ensuring the highest standards of food quality and safety through rigorous research and innovation. Located in Lausanne, Switzerland, Nestlé Research plays a pivotal role in developing analytical methods for monitoring chemical contaminants in food products. These robust methodologies are implemented across Nestlé's global laboratory network to screen, identify, and ensure compliance with food safety standards. In response to the challenges posed by climate change, evolving regulations, and shifting consumer preferences, Nestlé Research has developed a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/421"><strong>QuEChERS</strong></a>-based liquid chromatography high-resolution mass spectrometry (LC-HRMS) workflow. This innovative approach allows for the simultaneous analysis of over 1,100 contaminants, including pesticide residues, mycotoxins, and plant toxins, across various food matrices such as cereals, fruits, and vegetables. The method's sensitivity and low quantification limits ensure compliance with regulatory standards while facilitating the exploration of additional compounds to preemptively address future food safety risks.</p><h4><strong>Technology selection&nbsp;</strong></h4><p>Next, Nestlé Research scientists aimed to identify the most suitable technology to address the challenges associated with broad-scope contaminant analysis. The versatility and high selectivity of LC-HRMS for screening a broad range of compounds offered a solution. Theoretically, in full-scan mode, HRMS instruments can monitor an unlimited number of molecules simultaneously, opening up avenues for continuous extension of the method’s scope. The high-quality, high-resolution accuratemass (HRAM) data provided by the Thermo Scientific™ Orbitrap™ mass analyzer can help differentiate between compounds with similar masses and isobaric interferences from coextracted matrix components, reducing the chance of false positives. Highresolution mass spectrometry (HRMS) systems offer the capability to perform nontargeted or retrospective analyses by leveraging existing data and potentially identify novel contaminants.&nbsp;</p><p>Due to its sensitivity and HRAM data quality, the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/401"><strong>Thermo Scientific™ Orbitrap Exploris™ 480 mass spectrometer</strong></a> was evaluated and ultimately selected for workflow development. The developed method uses the full-scan MS/data-dependent MS2 (FS-ddMS2 ) acquisition mode, which combines a full scan with MS2 scans on the targets of interest measured in the full scan.&nbsp;</p><h4><strong>Necessary compromises&nbsp;</strong></h4><p>Though HRMS technology theoretically offers an unlimited scope of analysis, the true scope of analysis remains limited by the sample preparation method, chromatographic conditions, and MS ionization efficiency. According to Bessaire, “We needed to compromise on sample preparation and extraction, the LC method—the column and the gradient—and MS ionization mode because not all organic molecules can be analyzed using a single ionization mode. The scope of compounds that we dreamt about at the beginning was not the same as what we had at the end.”&nbsp;</p><p>With these compromises in mind, a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/421"><strong>QuEChERS-based sample preparation</strong></a> followed by dispersive solid-phase extraction (dSPE) cleanup was chosen due to its effectiveness for a wide range of sample types and analyte chemistries. LC method development was carried out on the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/744"><strong>Thermo Scientific™ Vanquish™ Horizon UPHLC system</strong></a>. A 22 minute LC run using acidic mobile phases on a 15 cm reversed phase (RP) C18 column with a smooth gradient slope was chosen to retain a broad range of chemicals with various polarities, while separating a maximum number of isomers and isobaric compounds within an acceptable run time. The generic sample preparation approach has advantages as Dr. Flavia Nagy (-Badoud), Scientist, Nestlé Research noted, “With the generic multiresidue method, we can reduce the use of solvents and work towards greener chemistry.”</p><h4><strong>In-house HRAM mass spectral library maximizes compound identification&nbsp;</strong></h4><p>To maximize the method’s capability to unequivocally confirm the presence or absence of numerous compounds from a single injection, the group developed an in-house HRAM mass spectral library populated in <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1760"><strong>Thermo Scientific™ mzVault™ software</strong></a>. Creating the library was time-consuming and involved injection and analysis of individual standard solutions for each compound. Dr. Nicolas Christinat, Scientist, Chemical Contaminants, Nestlé Research described the library creation process, “We relied on analytical standards for each molecule. That’s a lot of individual injections and we acquired multiple parameters for each, including different fragments at different collision energies, at different polarities, and for different adducts. All this information was stored in our mzVault spectral library, and we can use that information to build targeted methods that use the most relevant collision energy, most abundant ions, and the best polarity. Bessaire added, “Our internal mass spectral library was key to maximizing the identification capabilities of our method.”</p><h4><strong>Orbitrap Exploris 480 mass spectrometer essential capabilities&nbsp;</strong></h4><p>The Orbitrap Exploris 480 mass spectrometer platform provides capabilities essential to developing methods that provide reliable identification and quantification.&nbsp;</p><h5><strong>Sensitivity&nbsp;</strong></h5><p>First, the platform offers good sensitivity compared to other HRMS instruments. Aurélien Desmarchelier, Scientist, Nestlé Research explained, “We need state-of-the-art instruments when we develop new methods. We evaluated the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/402"><strong>Orbitrap Exploris 240 </strong></a>and Orbitrap Exploris 480 mass spectrometers. The Orbitrap Exploris 480 system’s data pointed to a bit more sensitivity and that’s why we selected and are recommending it to the laboratories that will be implementing the method, so we are aligned.” Dr. Nagy (-Badoud) added, “Contaminant analyses are always at low levels—parts per billion normally—so it is very important that we have a sensitive instrument. That’s mostly why in the past HRMS was not considered and contaminant analysis was done by triple quadrupole instruments with targeted approaches. One of the most important criteria was that we reached the required sensitivity.”</p><h3><strong>4. Waters Corporation / ASMS: Analysis of Amino Acids in Plant-Based Proteins and Pet Foods – Modification of AOAC 2018.06 to Fit for Novel Foods and Ingredients</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008914_e210a444bc.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The AOAC International Official Method 2018.06 specifies an analytical procedure for the analysis of amino acids (AA) in infant formula, adult nutrition and dairy products. This procedure is based on the pre-column derivatization with 6-aminoquinoline succinic carbamate (AQC) and reversed-phase ultra-performance liquid chromatography with UV detection.</p><p>When applied to pet foods, a limitation was observed in the target AA list. Specifically, <strong>hydroxyproline (HyPro)</strong>, common in pet foods, exhibited poor retention on the column, making it unmeasurable. HyPro is a marker for potential food adulteration using hydrolyzed animal products to artificially boost protein levels in plant-based proteins. It is also an indicator for animal-derived ingredients such as gelatin and collagen, which are critical in halal and kosher food testing.</p><p>Therefore, it is necessary to develop an analytical method capable of effectively separating and detecting HyPro alongside other amino acids.</p><h4><strong>Experimental</strong></h4><h5><strong>LC Conditions</strong></h5><ul><li><strong>System</strong>: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/191"><strong>ACQUITY Premier System</strong></a> (BSM) with PDA detector</li><li><strong>Detection</strong>: UV (260 nm)</li><li><strong>Tubing</strong>: 0.004 mm ID, 10.5 in (Waters p/n 430001784) between column and detector</li><li><strong>Software</strong>: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/627"><strong>Empower CDS</strong></a></li><li><strong>Columns</strong>:<ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1952"><strong>ACQUITY UPLC BEH C18</strong></a>, 1.7 μm, 2.1 mm × 150 mm (Waters p/n 186002353)</li><li>AccQ∙Tag Ultra C18, 1.7 μm, 2.1 mm × 150 mm (Waters p/n 186009954)</li></ul></li></ul><h4><strong>Conclusion</strong></h4><ul><li>Excellent separation resolution for all amino acids with high repeatability and intermediate reproducibility in RT</li><li>Amino acids in six pet foods and four common plant-based proteins successfully analyzed</li><li>Modified AOAC Method provides a reliable and practical solution for AA analysis in pet foods and plant-based proteins</li></ul>

News from LabRulezLCMS Library - Week 36, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 8th September 2025? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS 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://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies</strong> and<strong> Shimadzu </strong>and<strong> </strong>posters by <strong>Thermo Fisher Scientific / HPLC Symposium </strong>and <strong>Waters Corporation!</strong></p><h3><strong>1. Agilent Technologies: Automated Solid Phase Extraction of PFAS from Aqueous Samples</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_1633_automated_spe_wax_carbon_s_5994_8289en_agilent_1fc425207e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>In this study, three types of dual-phase SPE cartridges were evaluated based on the quality control requirements for aqueous matrices as specified in US EPA Method 1633 using automated SPE. The cartridges contained PFAS WAX and Carbon S for PFAS. In the first configuration, a 200 mg bed of PFAS WAX was layered on top of a 50&nbsp;mg bed of Carbon S with the sorbents separated by a frit. In the second configuration, 200 mg of PFAS WAX was mixed with 50 mg of Carbon S before cartridge packing. In the third configuration, 200 mg of PFAS WAX and 10&nbsp;mg of Carbon S were mixed before cartridge packing. All three configurations were evaluated under identical protocols using automated SPE and were compared to results obtained using the manual addition of carbon and separate WAX extraction. The blended sorbent containing 200 mg of PFAS WAX and 10 mg of Carbon S was selected for validation and further evaluation of several environmental matrices including groundwater from residential private wells, effluent from a wastewater storage lagoon, and a landfill monitoring&nbsp;well.</p><h4><strong>Experimental</strong></h4><h5><strong>Equipment and materials</strong></h5><p>The three Agilent dual-phase cartridges used in the study are listed in Table 1. As a performance benchmark, a single‑phase <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=Bond+Elut+PFAS+WAX"><strong>Bond Elut PFAS WAX sorbent</strong></a> cartridge (Agilent, part number 5610‑2151) was used with either Carbon S bulk (Agilent, part number 5610-2095) or Superclean ENVI-Carb (Millipore Sigma, part number 57210-U).</p><p>Samples were extracted using the PromoChrom eight‑channel automated SPE extractors with upside‑down shaker racks (part number SPE-03 with MOD004), anticlogging frits (part&nbsp;number CF-06), high-capacity inline filters (part&nbsp;number&nbsp;F-HC-30), and anticlogging tips (part&nbsp;number F-T-4). Sample analysis was performed using an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=1290+Infinity+II+LC"><strong>Agilent 1290 Infinity II LC</strong></a> system consisting of an Agilent 1290 Infinity&nbsp;II high-speed pump (G7120A), an Agilent 1290 Infinity II multisampler (G7167B), and an Agilent 1290 Infinity II multicolumn thermostat (G7116B). The LC system was modified for PFAS analysis using the Agilent <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=InfinityLab+PFC%E2%80%91free+HPLC+conversion+kit"><strong>InfinityLab PFC‑free HPLC conversion kit </strong></a>(part number 5004-0006). The LC system was coupled to an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=6495C"><strong>Agilent 6495C triple quadrupole LC/MS</strong></a> equipped with an Agilent Jet Stream technology ion source. Agilent <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=MassHunter+Workstation"><strong>MassHunter Workstation software</strong></a> was used for data acquisition (version 10.1) and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=Quantitative+Analysis+"><strong>Quantitative Analysis </strong></a>for QQQ (version 12.1) was used for data analysis. Instrumental conditions were determined based on detailed multiparametric optimization experiments developed in‑house.&nbsp;</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The adoption of automated solid phase extraction (SPE) for PFAS analysis in environmental matrices significantly enhances laboratory efficiency and reduces the potential for human error. Our evaluation of five extraction protocols revealed that the blended sorbent containing 200 mg of PFAS WAX and 10 mg of Carbon S provided the best performance in terms of recovery, matrix interference reduction, and fewer outliers. This configuration was successfully applied to various environmental samples, demonstrating its versatility and reliability. The findings support the use of automated SPE with optimized sorbent cartridges as a robust method for PFAS analysis, aligning with the quality control metrics of US EPA Method 1633. Future work should focus on further refining automated SPE techniques and exploring their application to other environmental matrices.</p><h3><strong>2. Shimadzu: Automated Preparation of Calibration Curves Using the Autosampler's Dilution Function</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00914_en_089a8c34fa.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>The auto-dilution function equipped in the autosampler eliminates the need for manual dilution during calibration curve creation and sample preparation.</li><li>Samples can be automatically diluted to create a calibration curve by specifying the desired dilution factor in the batch table.</li><li>Because the same method file can be used across different dilution factors, only minor adjustments are needed when changing dilution conditions.&nbsp;</li></ul><p>In LC quantification, the dilution ofstandard and sample solutions is typically performed manually using pipettes, which is a laborintensive and time-consuming process. Recent advancements have called for automation to reduce labor and improve efficiency. By automating the dilution process, workflows can be streamlined, leading to increased productivity. The Nexera series autosamplers are equipped with an automatic pretreatment function that enables automated dilution. Using the auto-dilution function, samples can be automatically prepared at any desired dilution factor and directly introduced into the analytical column. This article presents a method to automate the creation of calibration curves and subsequent quantification workflows using the autosampler’s auto-dilution function.</p><h4><strong>Automated Dilution Analysis of Organic Acid Standard Solution</strong></h4><p>Automated dilution analysis was conducted using a 1000 mg/L mixed standard solution of ten organic acids. The analytical conditions are shown in Table 2 (pretreatment program : Table 1). 1.0 mL polypropylene vials were used as mixing vials, and septum-sealed vials were used for the undiluted standard solution. Rinse solution (ultrapure water) was used as the diluent. Fig. 3 shows the chromatogram of the 100-fold diluted organic acid mixed standard solution (concentration after auto-dilution : 10 mg/L for each organic acid). The <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexera+Organic+Acid+Analysis+System"><strong>Nexera Organic Acid Analysis System</strong></a> (pH-buffered electric conductivity detection) was employed for this analysis.</p><h4><strong>Conclusion</strong></h4><p>By utilizing the auto-dilution function in the autosampler, the standard undiluted solution for calibration curve creation can be automatically diluted at any desired dilution ratio. This eliminates the need for manual sample dilution and streamlines the calibration curve creation workflow. Additionally, since the autodilution function can also be applied to sample solutions, only the preparation of undiluted standard and sample solutions is required, allowing for a fully automated process from calibration curve creation to quantitation. As a result, the reduction in pretreatment work contributes to improved work efficiency and productivity.</p><h3><strong>3. Thermo Fisher Scientific / HPLC Symposium: Wide-ranging polynucleotide separation capabilities using Reversed Phase particles with variable pore geometry</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_wide_ranging_polynucleotide_separation_capabilities_po_en_1fdaba9e08.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Polynucleotides such as DNA and RNA serve many uses in the areas of basic research, industrial manufacturing, therapeutics to up/down regulate cellular functions, and as therapeutic and vaccine intermediates (i.e., as an instructional template to produce proteins that 1) supplement/replace ineffective proteins or 2) function as antigens). CRISPR technology using guide RNA (gRNA, ~100mer) to directly modify cellular chromosomes was recently leveraged to create a customized treatment within 6-months for an infant with CPS1 deficiency1. This approach has provided long-term, life-saving enzyme production negating the need for daily treatments. Associated DNA and RNA such as gRNA and mRNA (1000+mer) require detailed characterization to ensure safety and efficacy (e.g., of sufficient quantity and fidelity in delivery vehicles such as lipid nanoparticles). Here, we present a RP particle with complex pore geometry and the effects of mobile phase and temperature for separating DNA/RNA with therapeutic benefits (siRNA-gRNA-mRNA:~ 20-100- 1000+mer). Semi-prep column separations, common for sample recovery for subsequent analyses or sample enrichment for in vitro or in vivo use, is also shown.</p><h4><strong>Materials and methods</strong></h4><h5><strong>Test method(s)&nbsp;</strong></h5><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=3&amp;search=DNAPac+RP+column"><strong>DNAPac RP columns</strong></a> packed with 4 µm DNAPac RP media include 2.1 × 50 mm (P/N 088924), 2.1 × 50 mm (P/N 088924), and 21.2 × 150 mm (P/N 080922- 1521232). For instruments, mobile phases, gradient conditions, and other chromatographic operating parameters (flow rate, temperature, injection volume, etc.), please reference the figures and associated text. For all analyses, samples were detected by UV absorbance at 260nm. For 21.2x150mm semi-prep separations, a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=40&amp;manufacturerItems=3"><strong>conventional (U)HPLC chromatography system</strong></a> with a binary pump, autosampler and detector without column compartment (ambient temperature separations) was used for all analyses. Ion Pairing Agents (Cation Anion): TEAA – Triethylamine Acetate, HAA – Hexylamine Acetate, HFIP – Hexafluoroisopropanol.&nbsp;</p><h5><strong>Data analysis&nbsp;</strong></h5><p>The <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76"><strong>Thermo Scientific Chromeleon </strong></a>7.2.10 or 7.3 Chromatography Data Systems (CDS) software was used for data acquisition and analysis.</p><h4><strong>Results&nbsp;</strong></h4><h5><strong>DNAPac RP particle characterization – chemistry and pore structure&nbsp;</strong></h5><p>Figure 1 summarizes the chemical and physical properties of the resin, which is based on polymeric divinylbenzene (top left). Unlike conventional silica particles, the polymeric resin is not susceptible to hydrolytic degradation at neither extreme pH (1-14) nor high temperature (90+oC). The aromatic groups also provide π- π bonding with aromatic nucleotides giving different selectivity from conventional alkyl phases incapable of such interactions. The SEM image visually shows the highly variated porous structure of the particles. Barrett-Joyner-Halenda (BJH) N2 adsorption analysis details the surface area contributions of the different pore sizes. From this analysis it is clear that a continuum of pores from 50Å to 2500Å (suitable for small molecules up to macromolecule adsorption, respectively) contributes to the overall surface area of the particle. Based on the complex geometry and resulting pore structure, we commonly refer to the media as a supermacroporous (SMP) particle.</p><h4><strong>Conclusions&nbsp;</strong></h4><ul><li>High resolution separation of nucleic acids varying in length from 10 to 10,000 nucleotides is achieved using an SMP particle with a variable pore structure.</li><li>Polymeric SMP particles are compatible with different mobile phase IP compositions, high pH and high separation temperature, which are critical parameters for optimizing the separation of polynucleotides&nbsp;</li><li>SMP particles provide high resolution separations in both analytical and semi-prep formats</li></ul><h3><strong>4. Waters Corporation / ASMS: Detection and Characterization of PFAS Molecules Using Inclusion and Exclusion Features of Data Directed Analysis (DDA)</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008869_fb6d27e0a0.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Polyfluorinated alkyl substances (PFAS) are bioaccumulative and suspected to contribute to increased cancer risk in humans. Monitoring PFAS in biofluids is possible, but their very low concentrations present analytical challenges.</p><p>Data-Directed Acquisition (DDA) isolates ions that meet defined criteria, fragments them at elevated collision energies, and generates product ion spectra. Because PFAS ions show a characteristic <strong>mass defect</strong> due to fluorine atoms, inclusion lists can enhance their detection. Conversely, exclusion lists derived from background matrix analyses help remove interferences, simplifying ion selection for fragmentation.</p><p>Preliminary tests with mixed small-molecule samples demonstrated the utility of these lists before applying them to PFAS, where inclusion lists contained hundreds of entries and exclusion lists thousands.</p><h4><strong>Methods</strong></h4><ul><li><strong>Instrument:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/202"><strong>SELECT SERIES™ Cyclic™ Ion Mobility Mass Spectrometer</strong></a></li><li><strong>Acquisition:</strong> ToF-ESI negative DDA mode, 100 ms survey/MSMS scan times, collision energy ramps optimized by PFAS class</li><li><strong>LC System:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/191"><strong>ACQUITY Premier </strong></a>with PFAS Kit and Atlantis Premier BEH C18 AX Isolator Column (2.1 × 50 mm, 5 µm)</li><li><strong>Analytical Column:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1952"><strong>ACQUITY UPLC HSS T3 C18</strong></a> (100 × 2.1 mm, 1.8 µm) at 35 °C</li><li><strong>Flow Rate:</strong> 0.3 mL/min; <strong>Injection Volume:</strong> 5 µL; <strong>Autosampler Temp:</strong> 6 °C</li><li><strong>Mobile Phases:</strong><ul><li>A: H₂O:MeOH (95:5) with 2 mM ammonium acetate</li><li>B: MeOH with 2 mM ammonium acetate</li></ul></li><li><strong>Samples:</strong> LCMS QC mixture, native PFAS mixture (PFAC30PAR, Wellington Labs), and human serum</li><li><strong>Software:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/635"><strong>MassLynx™ 4.2 for acquisition</strong></a>, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1544"><strong>waters_connect™ with PFAS library</strong></a> (130 entries) for processing, Tibco Spotfire® for visualization</li></ul><h4><strong>Conclusion</strong></h4><ul><li>ToF-DDA mode on a cyclic ion mobility mass spectrometer is effective for PFAS analysis.</li><li>Inclusion lists based on PFAS mass defect improve real-time detection and intelligent switching.</li><li>Background-derived exclusion lists (up to 9000 entries) further reduce interferences and enhance specificity.</li></ul>

News from LabRulezLCMS Library - Week 37, 2025

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