News from LabRulezLCMS Library - Week 07, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 9th February 2026? Check out new documents from the field of spectroscopy/spectrometry and related techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies</strong>, <strong>Metrohm,</strong> <strong>Shimadzu </strong>and<strong> Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: Black Pepper Origin Differentiation Using Large ICP-MS Datasets and Chemometric Tools</strong></h3><p><strong>Elemental profiling using an </strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;search=7850+ICP-MS"><strong>Agilent 7850 ICP-MS</strong></a><strong> and Agilent </strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;search=Mass+Profiler+Professional+software"><strong>Mass Profiler Professional (MPP) software</strong></a></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_black_pepper_origin_7850_icp_ms_5994_8741en_agilent_7c190968ef.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Black pepper’s high value and global demand are drivers for economically motivated adulteration, a fraudulent practice that can pose public health risks. Because black pepper is most often sold in ground, crushed, or mixed forms, its supply chain is difficult to monitor and manage. Also, consumer campaigns against deforestation and the European Union Regulation on Deforestation-free (EUDR) products have increased calls for greater sourcing transparency. Products with a known geographical indication can demand a higher price. Companies do not want to become implicated in false claims about the sourcing of products, and many are keen to have full visibility of their products’ origin. To address this need, the European Commission has established the Protected Geographical Indication (PGI) system to protect regional specific products, thereby promoting their unique characteristics based on geographical origin and traditional competence of production. The PGI scheme has increased the demand for detailed information regarding the geographical source of food products, a trend that is likely to continue as EUDR is implemented across the EU and associated markets. Verifying the geographical origin of black pepper using elemental fingerprints is highly relevant to protecting value chain stakeholders, ensuring both quality and traceability while upholding the principles of food integrity.&nbsp;</p><p>Several analytical methods can be used for profiling certain elements in foods. However, inductively coupled plasma mass spectrometry (ICP-MS) is unique because of its rapid throughput, multi-element capability, ultratrace sensitivity, isotopic analysis, versatility across sample types, low sample volume requirements, compliance with regulatory requirements, and low cost.<sup>3</sup>&nbsp;</p><p>The Agilent 7850 ICP-MS is equipped with an Octopole Reaction System (ORS4 ), a collision/reaction cell (CRC) that uses helium (He) gas and Kinetic Energy Discrimination (KED) to remove polyatomic interferences on key analytes.<sup>4</sup> If left unchecked, these interferences can affect data accuracy in complex food products. The integration of the 7850 with Agilent ICP-MS MassHunter software streamlines data analysis. When integrated with chemometric analysis, ICP-MS demonstrates high precision in multi-elemental profiling of diverse food matrices, effectively distinguishing their geographical origin.<sup>5</sup>&nbsp;</p><p>In this study, 150 black pepper samples from five countries (Brazil, Cambodia, India, Indonesia, Vietnam) were analyzed using the 7850 ICP-MS to obtain elemental fingerprints of the samples. Agilent Mass Profiler Professional (MPP) software was used to process the ICP-MS elemental data and to construct chemometric models for distinguishing the geographical origin of the samples, as adapted from Chilaka et al.<sup>5</sup></p><h4><strong>Experimental&nbsp;</strong></h4><h5><strong>Instrumentation&nbsp;</strong></h5><p>An <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;search=7850+ICP-MS"><strong>Agilent 7850 single-quadrupole ICP-MS</strong></a> was used for the analysis of 38 elements in the black pepper samples. Sample introduction was performed via a peristaltic pump connected to an Agilent MicroMist nebulizer and an Agilent SPS 4 autosampler. All elements were measured using helium collision (He KED) mode, except for boron (B), which was analyzed in no gas mode. Instrument control was performed using <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;search=MassHunter"><strong>Agilent ICP-MS MassHunter 5.1 software</strong></a>, and data processing was conducted using <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=1&amp;search=Mass+Profiler+Professional+software"><strong>Agilent MPP software</strong></a>, version 15.1. Instrument operating conditions as shown in Table 1.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>This study investigated the potential of ICP-MS elemental profiling coupled with chemometric analysis for geographical origin discrimination of black pepper samples from five countries, including Brazil, Cambodia, India, Indonesia, and Vietnam. A total of 38 elements was measured in 150 black pepper samples using the Agilent 7850 ICP-MS. Chemometric analysis was performed on the ICP-MS elemental data using Agilent Mass Profiler Professional (MPP) software. The PCA analysis exhibited satisfactory reliability and classification rates and demonstrated potential for the authentication of the geographical origin of black pepper. However, the separation of the Cambodian and Vietnamese samples was less distinct than the other groups, revealing potential similarities in elemental profiling between the bordering countries, which share similar climatic, geological, and agricultural conditions. Using LDA and RF classification models on the black pepper test set, we achieved a high overall accuracy in determining the geographical origin of the samples. These findings provide empirical support for the combined use of elementomics and chemometric techniques in black pepper authentication, contributing to fraud prevention. The study also demonstrates the potential of the method for application to other food types.</p><h3><strong>2. Metrohm: Milk powder analysis by near-infrared spectroscopy</strong></h3><p><strong>Determination of moisture, fat, lactose, and protein content</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_nir_128_download_867321cfb0.pdf"><strong>Full PDF for download</strong></a></li></ul><p>For milk powder producers, final product control is essential to meet strict regulatory standards, guarantee comprehensive quality assurance, ensure consistent nutritional quality, and extend shelf life. These are all especially important for infant formula and dairy ingredients used in sensitive applications. Near-infrared spectroscopy (NIRS) is a fast, reagentfree method for measuring key quality parameters such as moisture, protein, lactose, and fat content directly in milk powder. The NIRS solution requires no sample preparation, enabling real-time monitoring either in the lab or directly on the production line. This allows producers to react quickly to process variations, minimize waste, and maintain product integrity batch after batch.</p><h4><strong>EXPERIMENTAL EQUIPMENT&nbsp;</strong></h4><p>More than 600 samples of powdered milk from different suppliers were analyzed on an <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=56&amp;search=OMNIS+NIR"><strong>OMNIS NIR Analyzer</strong></a> (Figure 1). The different milk powders were placed into an OMNIS sample cup and analyzed in diffuse reflection mode. To include sample variety, the sample rotated during measurement to collect spectra from different locations. The automatically averaged spectra were used for model development. Reference values were obtained by official methods, e.g., AOAC 927.05 (moisture), AOAC 939.02 (protein), and AOAC 932.06 (fat). For the lactose content determination, a phenol-sulfuric acid method was used.</p><h4><strong>CONCLUSION</strong></h4><p>This Application Note presented the analysis of milk powder using NIR spectroscopy. Models for several quality parameters (fat, protein, lactose, and moisture content) were created. Independent validation samples confirmed the robustness and reliability of the models, with high correlation coefficients and low prediction errors achieved across all parameters. Notably, the dataset included samples from diverse global origins, capturing a broad range of product variability. This study shows that NIRS can be successfully integrated into the quality control workflow for dairy powder analysis.</p><h3><strong>3. Shimadzu: Analysis of Electrolyte and Electrode in LIB Degraded by Overcharge and High Temperature</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01064_en_b4f9f4330a.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>User Benefits</strong></h4><ul><li>ICP-AES enables accurate quantification of cathode material dissolved in electrolytes.</li><li>GC-MS assesses degradation from components in electrolytes with unknown usage.</li><li>EDXRF easily evaluates transition metals, phosphorus, fluorine, and other elements deposited on electrodes</li></ul><p>When lithium-ion batteries are used in EVs or ESS applications, numerous cells are connected in series and parallel to form modules, and multiple modules are further connected to construct a pack. In such configurations—where many cells are connected in series—the state of charge of individual cells varies, as shown in Figure 1. Moreover, because the cells are densely packed to reduce volume, the ambient temperature experienced by each cell also varies. In this application, we conducted cycle tests under overcharged or high-temperature conditions, disassembled the degraded pouch cells, and analyzed both the electrolytes and the electrodes.</p><h4><strong>Analysis of electrolyte and electrode</strong></h4><p>Electrolytes and electrodes were extracted from the batteries degraded through the cycle tests (hereafter referred to as “degraded cells”) and analyzed using the instruments shown in Figures 3–5. It is known that electrolytesin degraded cells contain transition metals (Ni, Co, Mn) dissolved from the cathode active material1). In addition, electrolyte solvents are known to generate characteristic degradation products as deterioration progresses2). By analyzing these degradation-related elements and compounds, the degradation state of the battery can be assessed. In this article, we propose a multifaceted evaluation of electrolytes using <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=3&amp;search=ICPE-9820"><strong>ICP-AES</strong></a> and GC-MS. On both the cathode and anode, insulating layers known as CEI/SEI form on the electrode surfaces. Under improper charging conditions, excessive formation of these layers can lead to capacity loss. Furthermore, the dissolved metals from the cathode deposit and precipitate on the anode. These deposits can cause internal short circuits, posing risks such as fire hazards. While such electrode conditions are typically evaluated by ICP-AES or XPS to examine elemental content or surface chemical states, this article introduces a simpler evaluation method using <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=3&amp;search=EDX-8100"><strong>EDXRF</strong></a>.</p><h4><strong>Summary</strong></h4><p>Analysis of the electrolytesfrom degraded batteries using ICP-AES and GC-MS revealed dissolution of transition metals as well as the formation of degradation products. Furthermore, EDXRF analysis of the electrodes enabled straightforward detection of changesin elemental composition, including transition metals, fluorine, and phosphorus. These analytical techniques allow for a multifaceted evaluation of battery degradation. In real-world battery operation, fluctuations in charging conditions and ambient temperature introduce variability in degradation states. By assessing degradation mechanisms individually, as demonstrated in thisreport, it is possible to obtain insights that contribute not only to improving intrinsic battery performance but also to optimizing implementation methods and control conditions.</p><h3><strong>4. Thermo Fisher Scientific: Analyzing Spinel refractory MgO-Al2O3 premix using </strong><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=2&amp;search=ARL%E2%84%A2+X%E2%80%99TRA+Companion"><strong>ARL X’TRA Companion XRD</strong></a></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/spinel_refractory_xrd_an41525_en_75f2527e78.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Spinel refractories—primarily magnesia–alumina (MgAl₂O₄)— are the workhorses of high-temperature linings in steel ladles, cement rotary kilns, glass tanks, and non-ferrous smelters. Their appeal lies in a combination of shock resistance, chemical stability against basic slags, and an expansion behavior that mitigates cracking. Depending on the duty, they are used as bricks, castables, or gunned repairs, sometimes with engineered microstructures that blend spinel with periclase, corundum, or zirconia to tune creep, corrosion, and spalling performance.&nbsp;</p><p>X-ray diffraction (XRD) underpins manufacturing control from raw mix to fired product. During synthesis, XRD tracks the solid-state reaction of MgO and Al₂O₃ into spinel, verifying the disappearance of periclase and alumina and quantifying the spinel fraction by Rietveld analysis. Lattice parameters reveal cation stoichiometry and solid-solution effects; peak breadth trends indicate crystallite growth and microstrain, proxies for sintering progress. In finished components, XRD detects secondary phases such as calcium aluminates introduced by binders, slags, impurities, and it provides fingerprinting for batch-to-batch consistency after thermal exposure. Embedded into routine QA/QC, XRD shortens feedback loops, stabilizes recipes, and links processing conditions to the microstructure that governs refractory life.</p><h4><strong>Instrument &amp; software&nbsp;</strong></h4><p>The <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library?manufacturerItems=2&amp;search=ARL%E2%84%A2+X%E2%80%99TRA+Companion"><strong>Thermo Scientific™ ARL™ X’TRA Companion</strong></a> X-Ray Diffractometer (c.f. Figure 1) is a simple, easy-to-use benchtop instrument for routine phase analysis as well as more advanced applications. The ARL X’TRA Companion uses a θ/θ goniometer (160 mm radius) in Bragg-Brentano geometry coupled with a 600 W X-ray source (Cu or Co). The radial and axial collimation of the beam is controlled by divergence and Soller slits, while air scattering is reduced by a variable beam knife. An integrated water chiller is available as an option. Thanks to the state-of-the art solid state pixel detector (55x55 μm pitch), the ARL X’TRA Companion provides very fast data collection and comes with single-click Rietveld quantification capabilities and automated result transmission to a LIMS (Laboratory Information Management System) seamless integrated into Thermo Scientific™ SolstiX™ Pronto instrument control software.</p><h4><strong>Your benefits&nbsp;</strong></h4><p>The ARL X’TRA Companion XRD workflow delivers answers in minutes, quantifying MgO, α-Al₂O₃, and MgAl₂O₄ while resolving Ca–Si silicates and trace Fe-spinels. Subtle differences between corundum and spinel are cleanly separated, and LOI drivers—carbonates, brucite, and Mg-sulfates—are identified and trended. These insights let you compute spinel potential, anticipate pore-closing expansion, and set the right pre-dry / prefire schedule to avoid spalling. You can clearly distinguish mid-grade, ore-derived feeds from premium low-silica materials, tighten incoming QA, and optimize formulations for cement/lime kilns, tundish linings, and other carbon-free basic applications.</p>

News from LabRulezICPMS Library - Week 07, 2026

News from LabRulezLCMS Library - Week 08, 2026

News from LabRulezLCMS Library - Week 14, 2026

News from LabRulezLCMS Library - Week 21, 2026

News from LabRulezLCMS Library - Week 24, 2026

Analytical investigation of metal distribution from e-cigarette aerosols to lung deposition using multi-platform mass spectrometry

News from LabRulezLCMS Library - Week 27, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 13th July 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 posters by <strong>Agilent Technologies / ASMS, Shimadzu / ASMS, Thermo Fisher Scientific / HPLC Symposium </strong>and<strong> Waters Corporation / HPLC Symposium </strong>and technical note by<strong> KNAUER!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Intact Protein Analysis in Plasma Using Automated 2D-LC/TOF with Multiple Heart-Cutting</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_intact_protein_mhc_2d_lc_tof_wp_679_asms_2026_en_agilent_edb54f4854.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Direct intact and top-down protein analysis enables comprehensive characterization of proteoforms, post-translational modifications, and fragments that are often lost in bottom-up workflows.1 However, intact mass analysis in complex biological matrices such as whole plasma is challenged by extreme dynamic range and ion suppression, commonly necessitating affinity-based enrichment.&nbsp;</p><p>Here, we demonstrate a non-affinity, orthogonal separation strategy using a 2D-LC/TOF workflow with multi-heart-cutting for native intact protein analysis directly in plasma. Therapeutic monoclonal antibodies (mAbs) trastuzumab and antibody-drug conjugate T-DM1, were used as model systems to evaluate performance.&nbsp;</p><p>The workflow employs an Agilent 1290 Infinity III 2D-LC system for orthogonal separations and precise multiple heart-cutting, coupled to a high-resolution, high-sensitivity Agilent 6230C Accurate Mass TOF LC/MS System.</p><h4><strong>Experimental</strong></h4><h5><strong>Instrumentation&nbsp;</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=1290+Infinity+III+2D-LC"><strong>Agilent 1290 Infinity III 2D-LC system </strong></a>comprised the following modules:&nbsp;<ul><li>1290 Infinity III Bio Multisampler with Thermostat (G7137A)&nbsp;</li><li>1290 Infinity III Multicolumn Thermostat (G7116B)&nbsp;</li><li>1290 Infinity III Diode Array Detector (G7117B) with Max-Light cartridge cell (G7117-60020)&nbsp;</li><li>1260 Infinity III Bio Flexible Pump (G7131C)&nbsp;</li><li>1290 Infinity III Bio High-speed Pump (G7132A)&nbsp;</li><li>1290 Infinity Valve Drive (G1170A) with 2D-LC ASM Valve (G5643B)&nbsp;</li><li>Two 1290 Infinity III Valve Drives (G1170A) with multiple heart-cutting valves (G5642-64000) equipped with 40 µL Bio loops&nbsp;</li><li>1290 Infinity III Valve Drive (G1170A) with a 2- position/6-port valve (G4231A) (used as a diverter valve)&nbsp;</li></ul></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=6230C"><strong>Agilent 6230C Accurate Mass TOF LC/MS System</strong></a></li></ul><h5><strong>LC/MS Analysis&nbsp;</strong></h5><p>Data acquisition and analysis were carried out using <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=MassHunter+acquisition"><strong>MassHunter acquisition</strong></a> (12.2), <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=BioConfirm"><strong>BioConfirm</strong></a> (12.1) and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=MassHunter+Qualitative+Analysis"><strong>MassHunter Qualitative Analysis </strong></a>(13.0) software.</p><h4><strong>Conclusions</strong></h4><ul><li>Agilent 2D-LC enables direct native MS analysis of intact proteins from plasma without affinity-based enrichment.&nbsp;</li><li>UV-guided and multiple heart-cutting simplify 2D-LC method development and provide high-resolution isolation of native proteins from complex biological matrices such as plasma.&nbsp;</li><li>The Agilent 6230C Accurate Mass TOF delivers high sensitivity and excellent mass accuracy, enabling confident intact protein characterization under native conditions.</li></ul><h3><strong>2. KNAUER: Mind the pressure in preparative up-scaling – effects of particle size and solvent composition on back pressure</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/VTN_0051_knauer_mind_the_pressure_in_preparative_up_scaling_effects_of_particle_size_and_solvent_comp_12e49884d3.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The back pressure of a chromatographic system is generated by the system components, the capillaries, the column, the solvent, and the applied flow rate. Each system has a maximum pressure which it can sustain, and therefore the pressure must be monitored as it is a limiting factor during method development. The back pressure generated by a column is dependent on the particle size and its length. The development of a preparative method is ideally performed on an analytical scale and after optimization the method is then scaled up to preparative scale.</p><p>As preparative HPLC systems normally have lower maximum pressures, it is important to keep the generated pressure in the range of the later preparative system.&nbsp;</p><p>The larger the particles of the column material are, the lower will be the generated back pressure. With increasing particle size, the resolution is decreasing at the same time. Depending on the separation task, the resolution can be a critical point, and it is important to find the right compromise between resolution and backpressure. Additionally, larger particles are significantly less price intensive, which is another factor to be considered especially for large scale purifications. Often solvent mixtures of water with acetonitrile, methanol or ethanol are used for reverse phased methods. Depending on the organic solvent composition, the generated back pressure differs significantly which could be reduced by changing the solvent composition slightly or the organic solvent if possible. The back pressure generated by the solvent will not or only slightly change during the up-scaling process.&nbsp;</p><p>Here, the influence of particle size, flow rate and solvent composition on the back pressure was evaluated. Further, a practical scale-up was performed to evaluate the values obtained on analytical scale to those in larger scale.</p><h4><strong>User Tips:&nbsp;</strong></h4><ul><li>What is the finale scale you want to operate later?&nbsp;</li><li>What are the pressure limitations of the preparative system?&nbsp;</li><li>Be aware of the solvent back pressure&nbsp;</li><li>Consider particle size not only for best separation&nbsp;</li><li>Consider the flow rate</li></ul><h4><strong>MATERIAL AND METHODS&nbsp;</strong></h4><ul><li><strong>Pump: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2372"><strong>AZURA® P 6.1LHPG</strong></a>, 10 ml, sst&nbsp;</li><li><strong>Autosampler: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2375"><strong>AZURA AS 6.1L</strong></a></li><li><strong>Detector:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2423"><strong>UV AZURA DAD 2.1L&nbsp;</strong></a></li><li><strong>Flow cell: </strong>Pressure proof 10 mm, 10 µl, 300 bar&nbsp;</li><li><strong>Thermostat:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2376"><strong>CT2.1&nbsp;</strong></a></li><li><strong>Columns:&nbsp;</strong><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1633"><strong>Eurospher II 100-5 C18, 150 x 4.6 mm&nbsp;</strong></a></li><li>Eurospher II 100-10 C18, 150 x 4.6 mm&nbsp;</li><li>Eurospher II 100-15 C18, 150 x 4.6 mm&nbsp;</li><li>Eurospher II 100-20/45 C18, 150 x 4.6 mm &nbsp;</li></ul></li><li><strong>Software&nbsp;</strong><ul><li>ClarityChrom 10.1&nbsp;</li><li>ClarityChrom 10.1 PDA extension</li></ul></li></ul><h4><strong>CONCLUSION&nbsp;</strong></h4><p>The back pressures of four C18 150 x 4.6 mm columns, which differed only in particle size were measured and compared at different flow rates and solvent compositions. As expected, the 5 µm column showed the highest and the 20/45 µm column the lowest back pressure at all tested conditions. The pressure curves of ethanol and methanol gradients were similar, with a maximum pressure at approximately 50% solvent. The pressure curve of the acetonitrile gradient differed from the other two, showing the highest pressure at a lower organic solvent content of approximately 35%, after which the pressure dropped. Ethanol showed the highest pressure, followed by methanol and then acetonitrile. Determining the column back pressure at an analytical scale is an important tool during preparative method development. Ideally, if a linear scale up from the analytical to the preparative scale is conducted, the column back pressure should stay the same. This helps to predict if the method can be scaled up to the desired size in terms of back pressure.</p><h3><strong>3. Shimadzu / ASMS: Enhanced Quantification of Emerging UV Filter Contaminants in Drinking Water Using Optimized LC-MS/MS Technique</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/TP_121_Enhanced_Quantification_of_Emerging_UV_Filter_Contaminants_in_Drinking_Water_Using_Optimized_LC_MSMS_Technique_e733c64828.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Ultraviolet (UV) filter chemicals from sunscreens and personal care products are increasingly recognized as emerging contaminants of concern in drinking water1 . Their persistence and reported biological effects highlight the need for sensitive and reliable monitoring approaches2 . The objectives were to optimize quantitation to achieve ppt level detection without offline extraction and assess the occurrence of these compounds in multiple drinking water matrices. In this study, 20 UV filters were analyzed using a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-8060RX"><strong>Shimadzu LCMS8060RX triple quadrupole mass spectrometer.</strong></a></p><h4><strong>Conclusion</strong></h4><p>A highly sensitive, precise, and robust direct injection LC–MS/MS method enables sub-ppt to high-ppb quantification of 20 UV filters in drinking water. Overall, the highly sensitive and robust Shimadzu LCMS-8060RX Triple Quadrupole Mass Spectrometer combined with this extraction-free workflow provides a simple, reliable, and high-throughput approach for quantifying emerging UV filters at ng/L concentrations in drinking water.</p><h3><strong>4. Thermo Fisher Scientific / HPLC Symposium: Comparison of biocompatible and inert UHPLC systems for LC-UV quantitation of large RNA</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_004752_hplc_vanquish_amplify_metal_sensitive_analyte_analysis_po004752_na_en_ff99cfde49.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Accurate LC-UV analysis of large RNA and oligonucleotide therapeutics requires highly inert chromatographic flow paths because interactions between the negatively charged phosphodiester backbone and metallic surfaces can cause analyte loss, peak broadening, and reduced quantitative sensitivity, particularly at low concentration.&nbsp;</p><p>Here, an inert UHPLC system – Vanquish Amplify system, incorporating inert-coated flow path components was evaluated against a biocompatible UHPLC configuration using MP35N alloy capillaries and additionally against a commercially available inert UHPLC platform. Large RNA fragments of 500 and 5000 nucleotides were analyzed by IP-RPLC to assess the difference between these systems. To further investigate flow path interactions, adenosine 5′- (α,β-methylene) diphosphate (AMPcP), a metal-sensitive analyte, was analyzed alongside adenosine, a noninteracting reference compound.</p><h5><strong>Material and Methods</strong></h5><ul><li><strong>Instrumentation: </strong>Thermo Scientific Vanquish Amplify UHPLC system</li><li><strong>Column:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=3&amp;search=SurePac+Oligo"><strong>Thermo Scientific SurePac Oligo RP MDi HPLC column</strong></a>,<br>2.5 µm 2.1 X 50 mm (P/N: 43712-052132</li><li><strong>Data Analysis: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76"><strong>The Thermo Scientific Chromeleon Software 7.3.2 MUc Chromatography Data System (CDS)</strong></a> was used for all data acquisition and analysis.</li></ul><h4><strong>Conclusions&nbsp;</strong></h4><p>Using AMPcP with the Vanquish Amplify system demonstrated up to a twofold increase in sensitivity compared to systems with MP35N fluidics under conditions where metal interactions are most pronounced&nbsp;</p><p>For large RNA, the Vanquish Amplify UHPLC system delivered 1.25–1.35× higher signal intensity compared to systems with MP35N fluidics, enabling reduced sample consumption and improved quantitative reliability.&nbsp;</p><p>The Vanquish Amplify UHPLC system demonstrated comparable system inertness under the tested conditions for larger RNA fragments (5,000 nt) and slightly better system inertness for smaller fragments (500 nt) in this study than the MaxPeak HPS containing system, based on peak height and area comparisons using an external UV detector</p><h3><strong>5. Waters Corporation / HPLC Symposium: Development and Transfer of Quantitative Analytical Methods using Universal Detectors</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009493_8cbe4c3cc2.pdf"><strong>Full PDF for download</strong></a></li></ul><div><div><section><div><div><div><div><div><div><p>Universal detectors such as <strong>Charged Aerosol Detection (CAD)</strong> and <strong>Evaporative Light Scattering Detection (ELSD)</strong> provide valuable alternatives to traditional LC detectors including UV, fluorescence, and mass spectrometry, particularly for analytes lacking chromophores. Although both detectors are suitable for quantitative analysis, they rely on different detection principles—CAD measures the electrical charge transferred to aerosol particles, whereas ELSD detects light scattered by dried analyte particles. Because both detectors exhibit non-linear responses, quantitative methods typically require calibration models such as log-log linear or quadratic regression rather than conventional linear calibration. The poster discusses key considerations for developing robust quantitative methods and highlights the challenges associated with transferring methods between different universal detection platforms.</p><p>To demonstrate detector transferability, the authors migrated a <strong>HILIC method for sugar analysis in fruit juice</strong> from ELSD to CAD. The separation was performed on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/306"><strong>Waters Arc HPLC System</strong></a> equipped with an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=5&amp;search=XBridge+BEH+Amide"><strong>XBridge BEH Amide</strong></a><strong> (4.6 × 150 mm, 2.5 μm)</strong> column using a water/acetonitrile gradient containing triethylamine. While the chromatographic conditions remained unchanged, CAD detector parameters were optimized. Both detectors produced highly comparable quantitative performance across a calibration range of <strong>50–1000 μg/mL</strong>, achieving calibration coefficients (R²) above <strong>0.995</strong>, area RSD values below <strong>1.5%</strong>, and nearly identical concentrations of fructose, sorbitol, glucose, and sucrose in an apple juice sample. These results demonstrate that quantitative HILIC methods can be successfully transferred between ELSD and CAD with only detector-specific optimization.</p><p>The poster also evaluates method transfer between different CAD platforms using the <strong>USP Deoxycholic Acid assay</strong>. The method was implemented on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/198"><strong>Waters ACQUITY UPLC H-Class PLUS System</strong></a> with an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1823"><strong>XBridge BEH C18</strong></a><strong> (4.6 × 150 mm, 3.5 μm)</strong> column and compared against a competing LC/CAD system. After scaling the method according to <strong>USP Chapter &lt;621&gt;</strong>, both systems met all USP system suitability requirements, including repeatability and signal-to-noise criteria. Quantitative results for deoxycholic acid and related impurities were virtually identical, confirming that validated CAD methods can be reliably transferred between different vendors' LC/CAD platforms without compromising analytical performance.</p><p>Overall, the study demonstrates that both ELSD and CAD are robust universal detection techniques for quantitative liquid chromatography. While method transfer between identical detector types is generally straightforward, successful migration between ELSD and CAD—or between different CAD systems—requires careful optimization of detector parameters while preserving chromatographic conditions. The presented workflows illustrate that with appropriate calibration and detector tuning, laboratories can achieve equivalent sensitivity, precision, and quantitative accuracy, facilitating method standardization and transfer across analytical platforms.</p></div></div></div></div></div></div></section></div></div>

News from LabRulezLCMS Library - Week 29, 2026

<p><strong>Unknown identification by LC-MS/MS has become increasingly challenging as laboratories encounter more compounds, adducts, metabolites, contaminants, and transformation products. NIST26 provides a powerful integrated workflow that combines chromatographic processing, accurate-mass measurements, isotopic fidelity, and one of the world's largest curated </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2462"><strong>MS/MS spectral libraries </strong></a><strong>to improve confidence in compound identification. With the V4.0 (2026) release, NIST has integrated chromatogram-level analysis directly into its MS/MS library search program. This is a significant advance that could position MS/MS libraries as central to LC-MS workflows as EI libraries have long been for GC-MS.</strong></p><p>A very significant increase is found in the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2462"><strong>new MS/MS libraries</strong></a>. &nbsp;The library now included over <strong>68,600 compounds</strong>, <strong>567,000 precursor ions</strong>, and <strong>3.2 million MS/MS spectra</strong>.</p><p>If you are beginning today, <strong>NIST26 is the recommended version</strong>.</p><p>However, if your laboratory is using <strong>NIST20 or NIST23</strong>, these courses remain highly relevant. The core principles of LC-MS/MS unknown identification—including spectral library searching, structure searching, MS Interpreter, and building personal libraries—have remained somewhat consistent across all three releases. Once these concepts are understood, moving to NIST26 is straightforward. &nbsp;This course focuses on the <strong>new capabilities introduced in NIST26</strong> while building upon the same proven identification strategies developed in the earlier releases.</p><p>The workflow now supports XIC-based analysis, enhanced hybrid searching, background MS2 filtering, and combined MS1/MS2 identification, enabling deeper interrogation of LC-MS/MS datasets which initially described in the <strong>XIC-reference journal article</strong> spectra noted in the Resources. &nbsp;Together, the new LC-MS/MS analysis capabilities and the major expansion of the NIST MS/MS library create a powerful combination for compound identification. &nbsp;In addition, multiple libraries can be searched including free public and user libraries when available in NIST format.</p><p><strong>Many topics</strong> in the documentation (Videos and Handouts) previously written for V3.0 and V2.4 will still be useful to <strong>new users</strong> of the NIST Search Software. <strong>Also</strong>, data can still be <strong>imported from </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=masshunter"><strong>Agilent MassHunter</strong></a> and <strong>Thermo FreeStyle</strong>, but that process is very ineffective compared to the new integrated approach in NIST V4.0.</p><blockquote><p>You can look forward to the first part (<strong>Processing LC-MS/MS Data in the NIST26 Chromatogram Window</strong>) as early as next week!</p></blockquote>

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