News from LabRulezLCMS Library - Week 19, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 16th June 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 brochure by <strong>Agilent Technologies </strong>and<strong> </strong>application notes by<strong> Shimadzu, Thermo Fisher Scientific </strong>and<strong> Waters Corporation!</strong></p><h3><strong>1. Agilent Technologies: PFAS Analysis Without Compromise</strong></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/br_sample_prep_solutions_for_environmental_pfas_analysis_5994_8377en_agilent_f4acd7c313.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The brochure presents Agilent’s comprehensive solutions for environmental PFAS (per- and polyfluoroalkyl substances) analysis, designed to support laboratories in meeting increasingly stringent regulatory standards. Given the persistence and bioaccumulative nature of PFAS in water, soil, and biological samples, effective and contamination-free sample preparation is crucial. Agilent offers a complete range of <strong>solid phase extraction (SPE) cartridges</strong> and start-up kits specifically tailored for EPA and ISO PFAS methods, including EPA 533, 537.1, and 1633, as well as ISO 21675:2019. These tools ensure high recovery rates, method compliance, and minimal contamination risk.</p><p>At the heart of Agilent’s offering are the <strong>Bond Elut PFAS WAX </strong>and <strong>Bond Elut PFAS WAX/Carbon S dual-phase cartridges</strong>. The WAX cartridges utilize polymeric PSDVB sorbent with diamino functionality for strong retention and selectivity, making them ideal for extracting a broad range of PFAS classes, from carboxylic and sulfonic acids to fluorotelomer sulfonates and polyfluoroalkyl ethers. The dual-phase WAX/Carbon S cartridges combine high PFAS recovery with superior matrix cleanup, effectively handling complex samples like biosolids and fish tissues in compliance with EPA Method 1633.</p><p>Agilent ensures batch-to-batch consistency through rigorous quality control. Each cartridge batch comes with a Certificate of Analysis (CoA), verifying PFAS cleanliness and recovery. This level of assurance helps labs reduce verification workload while ensuring reliable, reproducible results. Additionally, the products are compatible with automated sample preparation systems, which is essential for high-throughput labs aiming to optimize workflow efficiency.</p><p>To further support labs, Agilent offers specialized <strong>PFAS Start-Up Kits</strong> and <strong>PFC-free HPLC conversion kits </strong>for ultratrace PFAS analysis. These complete workflow solutions include vials, columns, filters, and sorbents engineered to prevent PFAS contamination. Whether the application is environmental or food-related, Agilent’s portfolio equips laboratories with the tools they need to conduct PFAS testing with confidence, accuracy, and regulatory compliance.</p><h3><strong>2. Shimadzu: Chiral Amino Acid Analysis Using a Single Quadrupole Mass Spectrometer</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_00870_en_19d0c986a5.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>User Benefits</strong></p><ul><li>Separation with a chiral column enables direct analysis of chiral amino acids without pretreatment by derivatization.</li><li>By using a high-performance single quadrupole LC-MS system, even trace quantities of D-amino acids can be detected in foods and cosmetics</li></ul><p>Of the 20 types of amino acids included in proteins, optical isomers exist for all but glycine. Most naturally occurring amino acids are L-amino acids, but advancements in analytical technology have revealed the presence of D-amino acids in many organisms. It is also becoming evident that D-amino acids have different physiological functions than L-amino acids. Consequently, D-amino acids perform attracted attention in basic research related to their physiological and medical functions and for applications in the fields of food, health, and beauty.&nbsp;</p><p>This Application News article describes using a single quadrupole LC-MS system with a crown ether-type chiral column to analyze chiral amino acids, which enables rapid analysis of chiral amino acids without derivatization pretreatment. If a comprehensive analysis of all hydrophilic metabolites that includes amino acids is required, refer also to Application News No. 01-00334-EN, which describes a useful technique forsuch analysis.</p><h4><strong>Instruments and Analysis Conditions&nbsp;</strong></h4><p>Analysis was performed with a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexera+series+HPLC+"><strong>Nexera series HPLC </strong></a>system that was combined with an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=3&amp;search=LCMS-2050"><strong>LCMS-2050</strong></a> LC-MS system (Fig. 1). Although compact, the LCMS-2050 single quadrupole mass spectrometer offers easy operability and outstanding performance. Equipped with a DUIS heated ion source, which provides the benefits of both ESI and APCI, it can analyze masses ranging from m/z 2 to 2000. That makes it well suited for simultaneously analyzing all metabolites, including amino acids, as described in Application NewsNo. 01-00334-EN.&nbsp;</p><p>The analysis condition settings for HPLC and MS are shown in Table 1. The analysis conditions for LCMS-2050 was configured based on the analysis conditions in the LC/MS/MS Method Package for D/L Amino Acids. Using a crown ether-type chiral column enables the chiral separation of all amino acids except proline, which is a secondary amine.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>This article describes using a chiral column and a single quadrupole LC-MS system to analyze chiral amino acids. The technique enables direct analysis of chiral amino acids without derivatization pretreatment. Although sensitivity is lower than a triple quadrupole LC-MS system, it offers equivalent or higher sensitivity than a quadrupole time-of-flight LC-MS system or a fluorescence detector. So while it is not appropriate for analyzing ultra-trace concentrations of chiral amino acids, it is well suited to analyzing foods and other samples that contain large amounts of chiral amino acids. It also offers good throughput, with the ability to analyze samples within 15 minutes, even if that involves switching between (+) and (-) columns to separate components from contaminants in the samples. This also makes it well suited for analyzing large quantities of samples. Widespread adoption of the described techniques for chiral amino acid analysis can be expected to lead to continuous advancements in the R&amp;D of foods, cosmetics, and othersamples.</p><h3><strong>3. Thermo Fisher Scientific: Enhanced screening of PFAS compounds in wastewater: Implementing U.S. EPA Method 1621 with improved combustion-ion chromatography</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003774_ic_ic_systems_combustion_environmental_an003774_na_en_db0fb51b4c.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Per- and polyfluoroalkyl substances (PFAS) is the collective name for over 14,000 synthetic fluorinated compounds. A PFAS compound is defined as a compound containing a fully fluorinated methyl group or methylene on an alkane functional group (Organisation of Economic Co-operation and Development (OECD)) or as a fluorinated compound with at least two adjacent saturated carbons with one carbon fully fluorinated and the other at least partially fluorinated (U.S. Environmental Protection Agency (EPA)).<sup>1,2</sup> Since the 1940s, PFAS have been prevalent in many polymers, surfactants, fire-suppression chemicals, industrial products, and consumer products.<sup>3-6</sup> In addition to their extensive presence, PFAS compounds are persistent and bioaccumulate. Consequently, PFAS compounds are an environmental contamination concern. Toxicological studies of several PFAS compounds, such as perfluorooctanoic acid (PFOA) and perfluorooctane sulfonate (PFOS), indicate the potential for acute to chronic effects impacting reproductive health.<sup>7-11</sup> Fewer studies have been conducted on the thousands of other compounds grouped under the EPA PFAS classification.<sup>2</sup></p><p>The U.S. EPA has defined targeted and non-targeted analysis methods for PFAS.<sup>12-18</sup> Combustion-ion chromatography (C-IC) was previously demonstrated as a screening method for PFAS; PFAS compounds are converted to HF, and the subsequent fluoride is analyzed by ion chromatography (IC) with suppressed conductivity detection.<sup>19-24</sup> This technique is incorporated into EPA Method 1621 for non-targeted determinations of PFAS as adsorbable organic fluorine (AOF).<sup>25-28</sup> Our results from the EPA Method 1621 multi-laboratory study are also published in the Thermo Scientific Application Note AN002748 with additional tips for successful implementation in the Thermo Scientific Technical Note TN003056.<sup>29,30</sup></p><p>&nbsp;In the EPA Method 1621 collaboration study, we found that reduced baseline contamination and increased sensitivity, accuracy, and precision can be achieved by minimizing sources of contamination.<sup>29,30</sup> Another approach to reduce baseline contamination is to design the adsorption and combustionabsorption systems in a way that reduces or eliminates contamination sources. In this application, EPA Method 1621 is implemented on the offline Thermo Scientific™ Cindion™ Adsorption module, a Cindion Combustion / Absorption module with liquid and solid sample handling, and a Thermo Scientific™ Dionex™ Inuvion™ Reagent-free Ion Chromatography (RFIC™) System. The adsorption module was designed to minimize contamination by eliminating contamination sources. To increase throughput, the adsorption module is designed to semiautomatically adsorb PFAS from six water samples at a time. The Thermo Scientific™ Cindion™ Combustion-Ion Chromatography (C-IC) System was optimized for increased combustion efficiency by incorporating a Z-fold combustion tube to introduce oxygen at multiple locations. As a result, the combustion tube and furnace are shorter, and combustion times are reduced. This also results in a smaller footprint, saving crowded bench space. Data processing and system management are also more efficient because the Cindion C-IC system is controlled by a single software, the Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS). Overall, this solution provides improved sensitivity due to increased signal-to-noise, improved recoveries of added standards, and comparable reproducibility to previous results in a smaller footprint.</p><h4><strong>Experimental&nbsp;</strong></h4><h5><strong>Equipment&nbsp;</strong></h5><p><strong>Cindion C-IC system&nbsp;</strong></p><ul><li>Thermo Scientific™ Cindion™ Combustion / Absorption Module (P/N B51006425) with Thermo Scientific™ Cindion™ C-IC Solids Kit (P/N B51006426)&nbsp;</li><li>Thermo Scientific™ Cindion™ Solid / Liquids Autosampler (P/N B51006429)</li><li>Thermo Scientific™ Cindion™ Adsorption Module (P/N B51006430), includes six column holders&nbsp;</li><li>Thermo Scientific™ <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1078"><strong>Dionex™ Inuvion™ IC System</strong></a> with RFIC (P/N 22185-60108)&nbsp;</li><li>Optional Thermo Scientific™ Dionex™ Eluent Monitor, 4 L (P/N 22185-62708)&nbsp;</li><li>Thermo Scientific™ Thermolyne™ Muffle furnace, 2 L small bench top, to clean combustion cups, recommended for EPA Method 1621 (P/N FB1415M)&nbsp;</li></ul><p><strong>Software&nbsp;</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76"><strong>Chromeleon CDS software</strong></a>, Chromeleon 7 version 3.2, with Cindion C-IC system and eluent monitor drivers</li></ul><h4><strong>Results and discussion&nbsp;</strong></h4><p>The official EPA Method 1621 was updated from the draft method, and therefore, some of the section enumerations have changed. In addition, this method was updated from the EPA method by initiating the gradient at 4 min instead of 6 min to ensure that all anions are fully eluted from the column. Initial demonstration of capability In EPA Method 1621, the initial demonstration of capability (IDC) is required before analyzing samples. IDC includes determining the retention time windows of fluoride and chloride, calibration with relative standard error (RSE) 1 min from the water dip (void volume) and other peaks eluting near fluoride for accurate determinations. In hydroxide eluent separations with suppressed conductivity, as shown in Figure 2, the water dip is small and isolated from fluoride. Fluoride elutes away from the water dip in a flat baseline region. The results of these retention time experiments are summarized in Table 1. Fluoride meets the retention time criteria.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>This application note demonstrates U.S. EPA Method 1621 results using an improved C-IC workflow solution. The C-IC complete flow path includes the adsorption of PFAS in wastewater samples using the offline Cindion adsorption module, the combustion of the PFAS to fluoride using the Cindion combustion-absorption system, and quantitation using a Dionex Inuvion IC instrument with RFIC. The results were improved compared to previous implementation of EPA Method 1621 in Thermo Scientific Application Note AN002748. MDLs were improved (1.7 μg/L vs. 2.3 μg/L) with comparable reproducibility (4.5% RSDs vs. 4.6%) and improved accuracy (82–101% vs. 70–120%) as compared to previous results. This method showcases significant advantages of the Cindion C-IC system for measuring AOF and screening for PFAS in wastewater. In addition to ease of use, RFIC with hydroxide eluents provides more accurate reporting because fluoride easily elutes from the water dip, eliminating the need for manual integration. These data collectively highlight the power of C-IC in eliminating the sample matrix and measuring only adsorbable fluorine content in samples, successfully achieving the goals outlined in U.S. EPA Method 1621.</p><h3><strong>4. Waters Corporation: Enhanced Reliability for Long-Term PFAS Analysis with the Xevo TQ Absolute XR Mass Spectrometer</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008824_en_a91738478b.pdf"><strong>Full PDF for download</strong></a></li></ul><p><strong>Benefits</strong></p><ul><li>Xevo TQ Absolute XR provided maximal system uptime for PFAS analysis across 10 weeks and more than 7000 injections with no unscheduled downtime.</li><li>Reliable calculated concentrations were maintained for PFAS at relevant levels in extracts of river water, biosolid, and landfill leachate with %RSDs of &lt;8.4%.</li><li>Seamless batch review and long-term calibration management using waters_connect™ for Quantitation Software accelerated data validation workflows.</li></ul><p>As awareness grows around the environmental and health impacts of PFAS, regulatory pressure continues to intensify globally. The EPA Method 1633A1 has become a critical protocol for the quantitation of 40 PFAS compounds in diverse environmental matrices, including non-potable water, soils, biosolids, and tissues. Although the method describes a solid phase extraction (SPE) clean-up step for all sample types, these matrices still contain co-extractive interferents when introduced into an LC-MS/MS system, which can contaminate the system and degrade method performance over time. This application note describes how the StepWave XR Ion Guide, a novel slotted bandpass ion guide within the Xevo TQ Absolute XR Mass Spectrometer, can be integrated into a typical PFAS workflow to enhance signal robustness while preserving sensitivity and speed, thereby boosting method reliability.</p><h4><strong>Experimental</strong></h4><h5><strong>LC Conditions</strong></h5><ul><li>UPLC system: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/191"><strong>ACQUITY™ Premier System </strong></a>with Binary Solvent Manager and Flow-Through Needle&nbsp;</li></ul><h5><strong>MS Conditions</strong></h5><ul><li>MS system: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/554"><strong>Xevo TQ Absolute XR Mass Spectrometer</strong></a></li></ul><h4><strong>Results and Discussion</strong></h4><h5><strong>QC Performance&nbsp;</strong></h5><p>Method performance was evaluated every 10 sample extract injections to ensure that the weekly calibration of the method was stable. Figure 2 shows the QC plots for GenX, L-PFHxS, L-PFOS, PFBS, PFNA, and PFOA with a tolerance of ±30% set from the assigned concentration level (0.1–0.2 ng/mL) over the course of the study. Table 1 lists the %RSDs for the ion ratios for the same compounds. QC measured concentrations and ion ratios were within the set tolerances across 10 weeks and more than 7,000 injections with no unscheduled downtime. This illustrates the reliability of the Xevo TQ Absolute XR for PFAS analysis using a weekly calibration routine.</p><h4><strong>Conclusion</strong></h4><p>The StepWave XR Ion Guide within the Xevo TQ Absolute XR Mass Spectrometer was introduced into a typical PFAS workflow and shown to maintain method reliability for extended periods of time. The Xevo TQ Absolute XR provided maximal system uptime for PFAS analysis across 10 weeks and more than 7,000 injections with no unscheduled downtime. Concentrations for PFAS at relevant levels were reliably calculated in extracts of river water, biosolids, and landfill leachate with trueness in the range 70–130% and %RSDs of &lt;8.4%. These findings<br>support the Xevo TQ Absolute XR as a powerful platform for laboratories seeking to meet regulatory requirements for PFAS monitoring while minimizing system downtime and maintenance.&nbsp;</p>

News from LabRulezLCMS Library - Week 25, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 30th June 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 other document by <strong>Agilent Technologies </strong>and posters by<strong> Shimadzu / ASMS, Thermo Fisher Scientific / ASMS </strong>and<strong> Waters Corporation / ASMS!</strong></p><h3><strong>1. Agilent Technologies: Agilent InfinityLab Assist Hub: Representing Advancements in Cybersecurity</strong></h3><ul><li>Other document (white paper)</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/wp_infinitylab_assist_cybersecurity_5994_8261en_agilent_310c5c9a6c.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>The laboratory as an operational technology (OT) environment: bridging the gap between OT and IT&nbsp;</strong></h4><p>Compared to connected industrial production environments, the connected laboratory environment closely aligns with an operational technology (OT) environment. OT is defined as "the practice of using hardware and software to control industrial equipment, and it primarily interacts with the physical world" (RedHAT, 2024).&nbsp;</p><p>In the classical Purdue reference model, established in the early 1990s to protect identities, information, and assets, the OT environment is clearly separated and secured from the information technology (IT)/enterprise environment.&nbsp;</p><p>The model only allows direct communication between adjacent levels. OT environments (lab environments) are necessary due to the long life cycles of the systems typically exposed to cybersecurity threats, with the mitigations listed in Table 1.&nbsp;</p><p>Addressing cybersecurity challenges in OT environments requires customized security strategies that incorporate both traditional IT security principles and specific measures for the physical operations they control.&nbsp;</p><p>Unlike some IT system components and devices where complete infrastructure replacement is common, lab devices are typically replaced gradually over years, sometimes even over&nbsp;decades.</p><p>The clear separation between OT and IT is becoming increasingly blurred due to new connectivity requirements, cloud functionality, and Industrial Internet of Things integration. This process, known as IT/OT convergence, is essential for achieving the next level of automation, such as Industry 4.0/5.0 or its counterparts, such as Pharma 4.0. The effectiveness of any new development will be evaluated based on how well it addresses cybersecurity within a converging IT/OT environment.</p><h4><strong>Standards and organizations&nbsp;</strong></h4><p>The diverse standards and organizations can be exemplified by the approaches taken in the U.S., Europe, and China. This summary aims to showcase the complexity of regulatory environments, and is not comprehensive. For specific situations, consulting with dedicated field experts is crucial.</p><h5><strong>Europe&nbsp;</strong></h5><p>European cybersecurity regulations prioritize privacy and data protection, with an emphasis on harmonizing standards across member states.&nbsp;</p><ul><li><strong>General Data Protection Regulation (GDPR): </strong>GDPR is the cornerstone of data protection in the European Union (EU). It sets strict rules on handling personal data, including requirements for data breach notifications, data minimization, and individual rights over personal data. Noncompliance can result in severe fines.</li><li><strong>Network and Information Security Directive (NIS&nbsp;Directive): </strong>Adopted in 2016, the NIS Directive focuses on the cybersecurity of essential services (such as energy, transportation, and finance) and digital service providers. It requires member states to strengthen their national cybersecurity capabilities and cooperation.&nbsp;</li><li><strong>European Union Agency for Cybersecurity (ENISA):</strong> ENISA is the EU's dedicated cybersecurity agency, helping to develop and promote cybersecurity standards across Europe, including guidelines for incident reporting and cybersecurity&nbsp;certifications.</li><li><strong>ISO/IEC 27001: </strong>While ISO/IEC 27001 is a global standard for information security management systems, it is heavily adopted in Europe. This standard outlines processes for systematically managing sensitive company information, ensuring its security.&nbsp;</li><li><strong>Cybersecurity Act (EU): </strong>The Cybersecurity Act establishes a framework for cybersecurity certification for products, services, and processes, ensuring they meet recognized EU-wide standards.</li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>With the initial release of the InfinityLab Assist Control Software, the InfinityLab Assist Hub offers plenty of cybersecurity features that can be leveraged for a secure lab network environment founded on a customer-specific OT/IT security strategy.</p><h3><strong>2. Shimadzu / ASMS: Single Quadrupole Mass Spectrometry Quick Workflows Specified to Oligonucleotides Screening&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_TP_605_fa8deb906e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>A workflow has been developed to deliver molecular mass information on the full-length product and related impurities for chemically synthesized oligonucleotides by applying a deconvolution algorithm to all detected components within a targeted data stream (UV/PDA, TIC or BPC). It has been designed to simplify the data processing experience without the need for a sequence input delivering results quickly by automating mass assignment of all detected components in a data stream.</p><h4><strong>2. Materials and Methods&nbsp;</strong></h4><h5><strong>2.1 LC-MS/MS method&nbsp;</strong></h5><p><strong>20-mer sample.</strong> A phosphorothioate-modified oligonucleotide purified was used as a model sample (20-mer anti-sense oligo; C229 H316 N69 O121 P19 S19; average mass 7168.05, Te-smCe-sTe-sTe-sGe-sGd-sTd-sTd-sAd-sCd-sAd-sTd-sGd-sAd-sAd-sAe-sTe-smCe-smCesmCe) spiked with 10% impurities (N-1(5’) and N-3(5’) shortmers) to the full-length product.&nbsp;</p><p><strong>80-mer antisense DNA sample</strong>. 80-mer PolyT oligonucleotide sample (C800 H1041 N160 O558 P79; average mass 24273.62) was also analyzed was analyzed by ion-pair reversedphase chromatography mode using HFIP (hexafluoroisopropanol) and 10 mM TEA (triethylamine).</p><p><strong>LC Separation</strong>. Components were separated using the Shimadzu <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=3&amp;search=Nexera+XS"><strong>Nexera XS</strong></a> inert LC and Shim-pack Scepter Claris column using HFIP (hexafluoroisopropanol) and 10 mM TEA (triethylamine) as ion pair additives.&nbsp;</p><p><strong>Mass Spectrometry Detection. </strong>Shimadzu Single Quadrupole<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=3&amp;search=+LCMS-2050"><strong> LCMS-2050</strong></a>. Data acquired in profile mode. MS mass scan m/z 600-2000; 1 secs; negative ion mode.</p><h4><strong>3.Results&nbsp;</strong></h4><h5><strong>3.1 Workflows and Methods&nbsp;</strong></h5><p>Insight Biologics software application supports two workflows to help accelerate oligonucleotide characterization. The default data processing behavior was driven by a defined FLP sequence to confirm sequence composition, identify product related impurities and assess impurity profiles. Data processing has been further augmented by enabling automated deconvolution routines to be applied without a defined FLP sequence input to help workflows that need to quickly check on molecular mass information in a synthesis (Figure 2).</p><h4><strong>4. Conclusions&nbsp;</strong></h4><ul><li>LabSolutions Insight Biologics offers flexibility by supporting both user-defined and automated deconvolution workflows for comprehensive oligonucleotide analysis.&nbsp;</li><li>A Quick Picking algorithm has been developed and applied to the analysis of 20-mer and 80-mer antisense DNA. In the case of a 20-mer sample, the FLP and associated impurities were also automatically detected and molecular weight information reported. The analysis showed high correspondence with data processing results using a defined FLP sequence input.&nbsp;</li><li>The Quick Picking algorithm enables a molecular weight confirmation of any detected peak and can be a powerful tool for synthesis confirmation in cases where the product is not as intended.&nbsp;</li><li>This LC-MS analysis platform provides a rapid and cost-effective solution for purity analysis and molecular weight confirmation, making it ideal for quality control environments.</li></ul><h3><strong>3. Thermo Fisher Scientific / ASMS: Comprehensive data acquisition workflow on a modified Orbitrap Astral MS to achieve deep lipidome coverage with high confidence annotations</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/PO_003964_ms_ASMS_25_Astral_Zoom_Lipidomics_po003964_na_en_0ccd4bd053.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Lipid identification is often considered the most challenging and bottleneck of the lipidomics workflow. This is due to the vast diversity of lipid structures, isomers and varying concentrations. Fragmentation of lipids generate characteristic fragments that help in lipid annotation, structural elucidation, isomer differentiation, and improved confidence in lipid identification. Having fragmentation for most of the lipids detected in a sample hence is highly desirable. This requires fast and sensitive instrumentation. Here we evaluated the new Orbitrap Astral Zoom mass spectrometer (Figure 1) for deeper lipidome coverage and confident lipid identification from 73 mice plasma extracts.</p><h4><strong>Materials and methods&nbsp;</strong></h4><h5><strong>Sample Preparation&nbsp;</strong></h5><p>Lipids were extracted from plasma samples obtained from 73 mice fed with a high fat diet and a normal diet. Lipid standards and bovine liver lipid extracts were purchased from Avanti Polar Lipids.&nbsp;</p><h5><strong>LCMS Method&nbsp;</strong></h5><p>Plasma lipid extract was separated using Thermo Scientific nanoLC PepMap (C18, 75µmx150mm, 2µm) column connected to a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/398"><strong>Vanquish Neo UHPLC system</strong></a>. Data acquisition was carried out on the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1959"><strong>Orbitrap Astral Zoom mass spectrometer</strong></a> using full-scan Orbitrap MS1 in parallel with data-dependent Astral MS2.</p><h5><strong>Data Analysis&nbsp;</strong></h5><p>Data processing was performed using <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong>Thermo Scientific Compound Discoverer 3.4 software</strong></a>. Compound Discoverer 3.4 software includes new features such as Thermo Scientific LipidSearch software node for simplified lipid identification, QC for small molecule experiments using internal standards, automatically detects and groups MS1 fragments and other performance improvements.</p><h4><strong>Results&nbsp;</strong></h4><h5><strong>Orbitrap Astral Zoom mass spectrometer DDA MS2 scan rate&nbsp;</strong></h5><p>The Orbitrap Astral Zoom mass spectrometer offers an enhanced MS2 scan rate compared to the already high-speed Orbitrap Astral MS system, enabling DDA with Top 30, Top 40, or even Top 50 MS2 scans (Figure 2) without compromising data quality. This advancement delivers unprecedented speed, achieving faster DDA MS2 scan rates than ever before.</p><h5><strong>Unprecedented speed and depth: dual analyzer power of Orbitrap Astral Zoom MS</strong></h5><p>The parallel data acquisition on Orbitrap Astral Zoom MS using both the Thermo Scientific Orbitrap analyzer and Thermo Scientific Astral analyzer, enables a higher number of Orbitrap HRAM MS1 full scans with sub-ppm mass accuracy. Simultaneously, the fast Astral analyzer delivers a significantly greater number of highquality MS2 scans at 80k resolution (77% more) compared to Orbitrap-Orbitrap configurations, which is essential for deep coverage and confident lipid identification (Figure 3).</p><h4><strong>Conclusions&nbsp;</strong></h4><ul><li>The novel Orbitrap Astral Zoom mass spectrometer provides deeper lipidome coverage and confident identification, utilizing the parallel operation of Orbitrap and Astral analyzers.&nbsp;</li><li>The enhanced MS2 speed in Orbitrap Astral Zoom mode, coupled with Stepped NCE, enables efficient data acquisition and comprehensive lipidome coverage with a 15% increase with grade A and B lipid annotation.&nbsp;</li><li>The use of nano-flow increased the sensitivity and the number of detected lipids while achieving a significant reduction in the use of sample and solvent.&nbsp;</li><li>A significant difference was observed between control and high fat diet mice samples with potential biomarker upregulated neutral lipids (triglycerides and cholesterol esters) in the high fat diet.</li></ul><h3><strong>4. Waters Corporation / ASMS: Routine EPA 1633 PFAS Analysis with a Novel Slotted Bandpass Ion Guide to Improve Signal Response Robustness</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008888_65b495feb8.pdf"><strong>Full PDF for download</strong></a></li></ul><p>With increasing regulatory pressure around PFAS monitoring, this study evaluates a robust and long-term solution for EPA 1633A-compliant PFAS analysis. It focuses on how the StepWave XR ion guide, integrated into the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=5&amp;search=Xevo+TQ+Absolute+XR"><strong>Waters Xevo TQ Absolute XR tandem quadrupole mass spectrometer,</strong></a> improves signal robustness and method stability across demanding environmental matrices such as river water, biosolids, and landfill leachate.</p><h4><strong>Materials and Methods</strong></h4><p>Samples included NIST-certified biosolids, landfill leachate, and spiked river water. Solid-phase extraction (SPE) was followed by LC-MS/MS analysis on an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/191"><strong>ACQUITY Premier System</strong></a> with BEH C18 columns and detection via the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?manufacturerItems=5&amp;search=Xevo+TQ+Absolute+XR"><strong>Xevo TQ Absolute XR</strong></a> using negative electrospray ionization and MRM. The robustness of the method was assessed over 12 weeks with over 9,000 injections and weekly calibrations, using <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1544"><strong>waters_connect for Quantitation Software</strong></a> for data processing and review.</p><h4><strong>Results</strong></h4><p>Throughout the 12-week study, all sample types showed high consistency and low variability. For example, L-PFHxS in biosolids averaged 8.78 µg/kg (%RSD 7.2%) compared to the certified 9.39 µg/kg, while PFOA in landfill leachate showed a mean of 2.52 ng/mL (%RSD 2.7%). QC plots confirmed that all monitored PFAS met trueness and ion ratio targets across thousands of injections with no unscheduled downtime, highlighting the system’s long-term reliability.</p><h4><strong>Conclusion</strong></h4><p>The StepWave XR ion guide enabled reliable, high-throughput PFAS analysis with minimal maintenance and excellent reproducibility. The Xevo TQ Absolute XR maintained calibration stability, accurate quantitation, and strong matrix resilience across diverse sample types. Combined with streamlined software workflows, this setup is well-suited for routine EPA 1633A PFAS analysis in environmental labs.</p>

News from LabRulezLCMS Library - Week 27, 2025

News from LabRulezLCMS Library - Week 51, 2025

News from LabRulezLCMS Library - Week 52, 2025

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 12th January 2026? 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, Shimadzu, Waters Corporation </strong>and poster by<strong> Thermo Fisher Scientific / HPLC!</strong></p><h3><strong>1. Agilent Technologies: B Vitamin Analysis in Dietary Supplements on the Agilent 1290 Infinity III LC System</strong></h3><p><strong>Using ion-pairing reagent and supported by time‑saving automation of routine tasks using the Agilent InfinityLab Assist</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_b_vitamin_dietary_supplements_1290_infinityiii_lc_5994_8826en_agilent_56b5eb2fb1.pdf"><strong>Full PDF for download</strong></a></li></ul><p>There is a huge variety of (multi)vitamin supplements on the market, with different vitamin combinations and different concentrations available. To ensure that the claimed vitamin contents are met, analysis of those supplements is&nbsp;necessary.&nbsp;</p><p>To ensure constant and good analytical performance, preparation of the analytical system is fundamental. There are different approaches to preparing the system for analysis. Purging the solvent lines from bottle to pump removes possible air bubbles, especially after longer breaks between instrument usage or changing eluent to the ion-pairing and buffer-containing eluent after the weekend. Equilibration can either be done by a calculated time (10–20 column volumes)1 , set as a fixed experimentally determined value, or manually monitored. Using a fixed time for equilibration can lead to unnecessary high solvent consumption, as equilibration may already be established and no monitoring was previously done. In contrast, manual monitoring of equilibration can be time-consuming and error-prone. For example, if there are no written rules regarding key points for equilibration of the column, its determination can be subjective (constant&nbsp;pressure and baseline of e.g. UV absorption).&nbsp;</p><p>As vitamins are grouped according to their water solubility and not their chemical structure, separation behavior can greatly differ as they have different charges at physiological pH. In such cases, ion-pairing reagents such as hexane sulfonic acid can enable the separation of those vitamins while using a reversed phase column. As ion-pairing LC depends on good equilibration to ensure the presence of ion‑pairing reagent within the system, the process of preparing the instrument is an inevitable step. This is essential for good and reproducible analytical results.&nbsp;</p><p>With the Agilent InfinityLab Assist, making your instrument ready is no longer a time-consuming and unpleasant procedure.<sup>1</sup> This application note demonstrates the separation of multiple B vitamins in multivitamin tablets and effervescent tablets using an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?search=1290+Infinity+III"><strong>Agilent 1290 Infinity III LC System</strong></a>. Furthermore, it is shown how the InfinityLab Assist can help users ensure good chromatographic results, save time, and reduce errors by replacing manual tasks with InfinityLab Assist tasks.&nbsp;</p><h4><strong>Experimental&nbsp;</strong></h4><h5><strong>Equipment&nbsp;</strong></h5><ul><li>Agilent 1290 Infinity III High-Speed Pump (G7120A)&nbsp;</li><li>Agilent 1290 Infinity III Multisampler (G7167B) with Agilent InfinityLab Sample Thermostat (G4761A)&nbsp;</li><li>Agilent 1290 Infinity III Multicolumn Thermostat (G7116B) with Agilent InfinityLab Quick Connect Heat Exchanger (G7116-60015)&nbsp;</li><li>Agilent InfinityLab Level Sensing (G7175A)&nbsp;</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=InfinityLab+Assist"><strong>Agilent InfinityLab Assist</strong></a> (G7180A) with Agilent InfinityLab Assist Control Software, version 2.0&nbsp;</li><li>Agilent 1290 Infinity III Diode Array Detector (G7117B) with Agilent InfinityLab Max-Light Cartridge Cell (10 mm, 1.0 µL, G4212-60008)&nbsp;</li></ul><h5><strong>Software&nbsp;</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=OpenLab+CDS"><strong>Agilent OpenLab CDS,</strong></a> version 2.8, update 7 (or later versions)&nbsp;</li></ul><h5><strong>Column&nbsp;</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=InfinityLab+Poroshell+120+EC-C18"><strong>Agilent InfinityLab Poroshell 120 EC-C18</strong></a>, 2.1&nbsp;mm × 100 mm, 2.7 µm column (p/n 695775-902).</li></ul><h4><strong>Results and discussion&nbsp;</strong></h4><h5><strong>Separation of vitamin B1, B2, B5, B9, and B12&nbsp;</strong></h5><p>To analyze vitamin B1, B2, B5, B6, B7, B9, and B12 in vitamin supplements, different columns, mobile phases, and gradients were evaluated. The selected chromatographic conditions (Table 1) showed the best separation from peak to peak and additional matrix peaks. Hexane sulfonate was needed as an ion-pairing reagent to ensure good peak shapes, as all vitamins investigated, except vitamin B12, are expected to be charged based on their pKa values.3 The method detects the B vitamins investigated in vitamin tablets and effervescent tablets as demonstrated in Figure 1, showing chromatograms of aqueous standards and real samples. As some vitamins are present at higher doses, such as the 12 mg tablet (vitamin&nbsp;B5) compared to the 2.5 µg tablet (B12) in supplement 3 (Figure 1), parallel analysis is rather difficult, and not all vitamins present were detectable in each&nbsp;supplement.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>Using the Agilent 1290 Infinity III LC System setup detection of vitamins B1, B2, B5, B6, B7, B9, and B12 in effervescent tablets and multivitamin supplement matrix, good separation was achieved. Using the Agilent InfinityLab Assist "Make&nbsp;Ready" task, the system was prepared for B vitamin analysis using only one automated task and no manual monitoring. Running this task automatically by scheduling saved more than 20 minutes of working time. Additionally, the time required for medium equilibration monitoring sensitivity was reduced by approximately six minutes, compared to manual equilibration. Furthermore, using the schedulable InfinityLab Assist "Standby" task, the risk of errors regarding instrument standby can be drastically reduced. User-defined settings enable adjustment for different purposes, such as switching of all modules except the sampler thermostat.<sup>2</sup> The ability to remove the used buffer and ion-pairing reagent from the flow path for longer storage by scheduling a standby task also greatly helps to prevent salt precipitation in the system without additional effort. Also, the InfinityLab Assist can clearly help to accelerate checking the instrument status while preparing the instrument, as well as during running&nbsp;samples.<sup>2</sup></p><h3><strong>2. Shimadzu: Analysis of Ammonia as an Impurity in Fuel Cell Grade Hydrogen According to ISO 14687 Grade D Using a Gas Generator</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_01070_en_43a535bf87.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Hydrogen is expected to be a new power and heat source to reduce greenhouse gas emissions. Hydrogen is an easily available substance that can be produced from the electrolysis of water in our daily lives. However, when used in fuel cells, it is necessary to control impurities in hydrogen gas because certain impurities introduced during the manufacturing process deteriorate the electrode and electrolyte membrane, reducing the performance of the fuel cell or shortening its life. When ammonia is used as a carrier of hydrogen gas due to its distribution as a chemical, there is a possibility that ammonia may be introduced into hydrogen. This article presents an example of analysis of ammonia in hydrogen using an ion chromatograph (IC) based on the standard values described in ISO 14687 Grade D.<sup>1)</sup></p><h4><strong>Analysis of Ammonium Ion by IC</strong></h4><p>A <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=HIC-NS"><strong>non-suppressor IC (HIC-NS)</strong></a> was used to analyze NH<sub>4</sub>. Since the IC can selectively measure ions dissolved in the sample, it is less affected by contaminants than other methods and can measure NH<sub>4</sub> with high accuracy. In addition, by using the same device together with a suppressor IC, it is possible to measure inorganic halogens and formic acid, which are other impurities listed in ISO 14687. Table 1 shows the analytical conditions for NH<sub>4</sub>, Fig. 2 shows the chromatogram of a standard sample at a concentration near the specified value (25 μg/L), and Fig. 3 shows the calibration curve in the range from 2.5 μg/L to 200 μg/L. As shown in Fig. 3, the linearity was greater than 0.9999. Table 2 shows the reproducibility of the sample at 10 μg/L, which is around 1/2 of the specified concentration, repeated 7 times.</p><h4><strong>Conclusion</strong></h4><p>Ammonia, an impurity in hydrogen, was analyzed using a nonsuppressor IC, and it was confirmed that the method met the standard value specified by ISO 14687 Grade D. In addition, when ammonia standard gas near the standard value was mixed into hydrogen using a gas generator, a good recovery rate was obtained, which confirmed the validity of the method including the collection flow of pretreatment.</p><h3><strong>3. Thermo Fisher Scientific / HPLC: High-sensitive multi-attribute analysis of ADCs under native conditions by using an online multiple heart-cut 2D-LC-HRAM mass spectrometry system</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_high_sensitive_multi_attribute_analysis_adcs_native_conditions_po_en_28e7e0b002.pdf"><strong>Full PDF for download</strong></a></li></ul><p>ADCs are a rapidly expanding class of biotherapeutics for cancer treatment. Critical quality attributes such as charge heterogeneity, DAR, and drug distribution are essential for ensuring the safety, stability, and efficacy of ADCs. Strong cation exchange (SCX) and hydrophobic interaction chromatography (HIC) are conventional methods employed for charge variant analysis and DAR determination of ADCs1. However, these methods frequently utilize MS-incompatible salts, limiting their use for MS characterization. Online 2D-LC addresses this by enabling desalting in the second dimension(2D) and offering multi-attribute analysis in one method. Here, multiple heart-cut 2D-LC-HRAM MS methods were developed to achieve high sensitivity for the multi-attribute analysis of polatuzumab vedotin under native conditions.</p><h4><strong>Methods</strong></h4><p>A <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/742"><strong>Thermo Scientific Vanquish 2D UHPLC system</strong></a>, coupled with a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/402"><strong>Thermo Scientific Orbitrap Exploris 240 mass spectrometer</strong></a> with Biopharma option, were utilized to configure the multiple heart-cut 2D-LC-HRAM MS system. HIC-SEC and SCXSEC methods were developed and optimized for the charge variants, drug-to-antibody ratio (DAR) and drug load distribution (DLD) characterization of ADCs under native conditions.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>In this study, an online multiple heart-cut 2D-LC-HRAM MS system was configured and optimized for the multi-attribute analysis of polatuzumab vedotin. This approach provides detailed and comprehensive insights into the charge heterogeneity analysis, DAR, and DLD analysis of polatuzumab vedotin under native conditions.&nbsp;</p><ul><li>The online multiple heart-cut 2D-LC system enables the direct transfer of SCX and HIC fractions to mass spectrometry analysis by utilizing SEC as a desalting step, thereby overcoming the MS-incompatibility buffer in the LC separation.&nbsp;</li><li>The backflush transfer of fractions was employed to enhance peak shape and sensitivity in the 2D SEC separation.&nbsp;</li><li>The 2D SEC-MS analysis enables the characterization of ADCs under native conditions.&nbsp;</li><li>The high sensitivity of the Orbitrap Exploris 240 MS allows for the identification of fractions with low abundance in the 1D chromatography</li></ul><h3><strong>4. Waters Corporation: Automated Multiple Reaction Monitoring (MRM) Method Development for Peptide Drugs Using waters_connect for Quantitation Software</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009123_en_1f51e50be8.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>Benefits&nbsp;</strong></h5><ul><li>Rapid evaluation and optimization of MRM conditions freeing up bioanalysts to perform other valuable tasks</li><li>Interactive graphical review of results facilitating informed decision making.&nbsp;</li><li>Elimination of transcription errors via direct transfer of MRM results to the LC-MS method editor.</li></ul><p>LC-MS/MS is the technology of choice for the quantification of drugs, metabolites, and biomarkers in biofluids, typically employing tandem quadrupole mass spectrometry (MS) with detection via MRM. MRM method development for classic small molecule drugs involves the selection of the best precursor and product ion followed by optimization of cone voltages and collision energies. This is achieved by infusion or LC injection of the analyte(s) of interest. For small molecule drug compounds, this process is usually straightforward and lends itself to automation as they largely generate singly charged ions. However, in electrospray mass spectrometry, biomolecules such as peptides, oligonucleotides, and proteins normally form several multiply charged precursor ions, e.g., M+3H3+, M+4H4+. This significantly complicates MRM method development, as each charge state can generate multiple fragment ions, all of which need to be compared both within and across each charge state to choose the best transition or transitions for analyte measurement.&nbsp;</p><p>The MRM Optimization tool with the waters_connect for Quantification Software has been specifically designed to address the challenge of MRM method development for multiply charged biomolecules. The Optimization tool facilitates the automatic acquisition of data from multiple precursor and product ion and collision energy combinations across several charge states, with the results reviewed via an interactive graphical interface. Here, the use of this optimization is illustrated, using the GLP-1 peptide, semaglutide, as an example.</p><h4><strong>Experimental</strong></h4><h5><strong>Mass Spectrometry</strong></h5><p>Mass spectrometry was performed on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2100"><strong>Waters Xevo™ TQ Absolute XR Mass Spectrometer</strong></a>, operated in positive ion electrospray ionization mode (ESI). Nitrogen was used as the nebulizer gas and argon as the collision gas. The cone voltage, collision energy, and MS/MS transitions were adjusted and evaluated using the waters_connect MRM Optimization tool.</p><h5><strong>Informatics&nbsp;</strong></h5><p>The mass spectrometer was controlled and resulting data evaluated using <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1544"><strong>waters_connect for Quantitation</strong></a> Application Manager version 1.9.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The number of candidate biomolecule drugs, peptides, oligonucleotides, and proteins in pharmaceutical discovery and development is steadily increasing. These biomolecules require the development of quantitative LC-MS/MS assays to support discovery, preclinical, and human DMPK studies. Unlike small molecules, these biomolecules form multiply charged ions in the MS source, making MRM method development more challenging, as multiple charge state–product ion combinations must be evaluated and compared. The Optimization tool in waters_connect for Quantitation Software provides an automated, fast platform for the optimization and evaluation of the precursor ion → product ion pairs formed at each charge state, simplifying the process of LCMS/MS method development for biomolecules.</p>

News from LabRulezLCMS Library - Week 03, 2026

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