<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 20th July 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you posters by <strong>Agilent Technologies / ASMS,&nbsp;</strong> <strong>Bruker / ASMS</strong>, presentation by <strong>MDCW / University of North Dakota </strong>and application note by <strong>Shimadzu!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Extractables Analysis of Food Contact Materials Using High-Resolution GC/MS and LC/MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_fcm_extractables_lc_q_tof_wp_311_asms_2026_en_agilent_f5d83c8730.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>Chemicals residing in food contact materials (FCM) can migrate from packaging and containers into food. The FCM include a variety of materials including paper and plastic among others. The substances that migrate from FCM include volatile, semi-volatile and non-volatile compounds and therefore a combination of GC/MS and LC/MS techniques is needed for comprehensive analysis of potential migrants. In this study we evaluated different types of FCM including food vacuum sealer bags, heavy duty plastic food containers as well as lined paperboard containers. Various solvents were assessed for their ability to extract different classes of food packaging-derived chemicals. For increased confidence in compound annotation, high-resolution GC and LC MS platforms were used in this study in combination with application-specific accurate mass libraries.</p><h4><strong>Experimental</strong></h4><h5><strong>GC/Q-TOF&nbsp;</strong></h5><ul><li><strong>MS:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?from=1990&amp;mainauthorItems=10&amp;search=7250&amp;to=2026"><strong>Agilent 7250 GC/Q-TOF</strong></a></li><li><strong>GC: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?from=1990&amp;mainauthorItems=10&amp;to=2026&amp;search=8890"><strong>Agilent 8890 GC</strong></a></li><li><strong>Column: </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?from=1990&amp;mainauthorItems=10&amp;to=2026&amp;search=DB-5Q"><strong>Agilent DB-5Q</strong></a>, 30 m, 0.25 mm, 0.25 µm</li></ul><h5><strong>LC/Q-TOF</strong></h5><ul><li><strong>LC: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=1290+Infinity+II"><strong>Agilent 1290 Infinity II</strong></a></li><li><strong>MS: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=Revident"><strong>Agilent Revident LC/Q-TOF</strong></a></li><li><strong>Analytical column:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=Poroshell+Aq-C18"><strong>Agilent Poroshell Aq-C18</strong></a> 2.1 x 150 mm, 2.7µm column</li></ul><h4><strong>Conclusions</strong></h4><p>FCM extractions were optimized and successfully analyzed using a variety techniques based on highresolution GC/MS and LC/MS. Combination of different high resolution MS techniques helped to ensure a comprehensive E&amp;L compound coverage. E&amp;L focused accurate mass libraries were key to efficient data analysis.</p><h3><strong>2. Bruker / ASMS: Novel data processing workflow including in-silico derivatization for integrated CI &amp; EI MS data acquired with the GC-ecTOF instrument</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/asms_2026_thp_429_in_silico_derivatization_for_integrated_ci_ei_ectof_fb022d26ba.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>Combined suspect and non-target GC-MS analysis of volatile and semi-volatile compounds holds relevance for environmental monitoring &amp; research, food, flavor &amp; fragrance analysis as well as metabolomics studies. The combination of Chemical Ionization (CI) and Electron Ionization (EI) in the ecTOF instrument (Bruker Daltonics, Bremen, Germany) can improve the identification confidence of unknown compounds, especially in complex samples and when no standards are available. The simultaneous usage of two complementary ionization techniques brings additional advantages for quantification workflows. To leverage these benefits, a novel data processing approach has been developed, and applicability is shown in two study designs.</p><h4><strong>Methods</strong></h4><p>Derivatized samples from two studies were analyzed using the GC-ecTOF instrument. Data were converted to TSF format and processed with prototype versions of MetaboScape and TASQ. Untargeted feature detection was performed on the CI data stream, including de-isotoping, de-adducting for CI-specific ions [M-H]⁺, [M]⁺, [M+H]⁺, [M+NH₄]⁺, [M-CH3 ] + and retention time alignment across all samples.</p><h4><strong>Conclusion</strong></h4><ul><li>Untargeted feature finding and streamlined annotation of ecTOF supported by in-silico derivatization and in-silico fragmentation extends GC-MS analysis for metabolomics and non-target screening.&nbsp;</li><li>In-silico derivatization permits complementary annotation for compounds lacking reference standards.&nbsp;</li><li>Simplified process from identified markers in profiling experiments to target screening and quantitation methods.</li></ul><h3><strong>3. MDCW / University of North Dakota: Identifying the transition from ante-mortem to post-mortem odor in cadavers cadavers in an outdoor environment</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_23_Patel_2a1bb7a2fa.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>This presentation investigates how the characteristic odor of a human body changes during the transition from life (ante-mortem) to decomposition (post-mortem). The researchers focused on identifying volatile organic compounds (VOCs) released during the early post-mortem period and determining when the scent profile changes from that of a living person to that associated with human remains. Understanding this transition is particularly important for improving search and rescue operations, where distinguishing between living victims and deceased individuals is essential for deploying search-and-rescue dogs and human remains detection dogs effectively.</p><p>To study this process, VOC samples were collected from body donors at both a morgue and an outdoor decomposition research facility (REST). Air samples were collected using sorbent tubes and ACTI-VOC pumps after controlled VOC accumulation and sampling periods. Chemical analysis was performed using <strong>thermal desorption comprehensive two-dimensional gas chromatography coupled with mass spectrometry (TD-GC×GC-MS)</strong>. The analytical system employed a Restek <strong>Rxi®-624Sil MS</strong> first-dimension column and a <strong>Stabilwax®</strong> second-dimension column, with electron ionization (70 eV) mass spectrometry covering a mass range of <strong>29–300 amu</strong> at an acquisition rate of <strong>250 spectra/s</strong>. Data processing combined <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41"><strong>ChromaTOF</strong></a> software with <strong>RStudio</strong> for feature alignment, normalization, filtering, and manual verification of VOC profiles.</p><p>The study identified <strong>827 volatile organic compounds</strong>, representing a wide range of chemical classes including nitrogen-containing compounds, esters, halogenated compounds, aromatics, alcohols, ketones, aldehydes, sulfur-containing compounds, ethers, and acids. By comparing experimentally detected VOCs with compounds previously reported in the literature for both living humans and decomposing remains, the researchers identified <strong>33 trans-mortem VOCs</strong> that characterize the transition between ante-mortem and post-mortem odor. VOC profiles were then monitored throughout decomposition for individual donors, allowing the team to visualize how the relative contributions of ante-mortem, trans-mortem, and post-mortem compounds evolved over time.</p><p>The results showed that ante-mortem and trans-mortem VOCs remained detectable during the earliest stages after death, while post-mortem odor compounds became increasingly dominant after approximately <strong>Accumulated Degree Days (ADD) 73.4</strong>, corresponding to <strong>Experimental Day 3</strong>. The authors conclude that although these findings improve our understanding of early decomposition odor chemistry, additional studies across different environments and seasonal conditions are needed to standardize VOC-based approaches and further support forensic investigations and search-and-rescue applications.</p><h3><strong>4. Shimadzu: Gas Analysis for CO2 Conversion Using a GI-30 Auto Gas Injector</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00964_en_2482908145.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The catalytic conversion of carbon dioxide (CO2) to methanol (MeOH) and to hydrocarbons has garnered significant attention as a strategy to realize a sustainable chemical industry. Analytical targets in CO2 conversion studies typically include carbon monoxide (CO), hydrocarbons, alcohols, and other reaction products. Selection of appropriate column and detector combinations must therefore be guided by the nature and concentrations of target analytes.</p><p>In this application news, we demonstrate simultaneous analysis on two parallel columns by using INJ2-way branch unit to permit detection of CO and hydrocarbons together with alcohols such as MeOH. We also present a simplified measurement approach employing a single-column configuration equipped with a thermal conductivity detector(TCD).</p><h4><strong>System Configuration and Analysis Conditions</strong></h4><p>Two reaction schemes using CO2 as feedstock were envisaged: (1) MeOH synthesis and (2) conversion to hydrocarbons. The instrumentation comprised the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?from=1990&amp;mainauthorItems=1&amp;to=2026&amp;search=GI-30"><strong>Auto Gas Injector GI-30</strong></a> and the SPI inlet, which minimizes air ingress and sample adsorption (Fig. 1).&nbsp;</p><p>For the MeOH synthesis application, a Jetanizer -FID—which permits detection of CO and CO2 that are not observable by a conventional FID—was employed. A MICROPACKED-ST packed column provides separation of CO from O2 (ambient contamination); however, higher-boiling hydrocarbons and alcohols such as MeOH are not eluted from this column. To achieve comprehensive analysis, the injector was splitted and an SH-Q-BOND capillary column was used to resolve hydrocarbons and MeOH concurrently. The injection-port splitting is implemented using dedicated hardware (Application News No. 01-00661-EN).&nbsp;</p><p>For the conversion to hydrocarbons scenario, when analytes are permanent gases and C3-or-smaller hydrocarbons, quantitative analysis can be performed with a single MICROPACKED-ST column coupled to a TCD. The TCD responds to differences in thermal conductivity between carrier and analyte gases; measuring low–thermal-conductivity species such as hydrocarbons requires a carrier gas with high thermal conductivity (helium or hydrogen) (Table 1). The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?from=1990&amp;mainauthorItems=1&amp;search=gc-2050&amp;to=2026"><strong>Brevis</strong> <strong>GC-2050</strong></a><strong> TCD</strong> uses a single filament design, resulting in rapid baseline stabilization (~10 minutes), which is advantageous for routine operation.</p><h4><strong>Conclusion</strong></h4><p>Using INJ2-way branch unit enables simultaneous analyses using distinct column-detector combinations within a single chromatographic cycle, permitting comprehensive quantification of reaction products from CO2 conversion— ranging from CO and hydrocarbons to alcohols such as MeOH. For analyses restricted to hydrocarbons up to C3, a streamlined single-column TCD configuration provides sufficient separation and sensitivity. It should be noted that MeOH and hydrocarbons of carbon number ≥ C4 may adsorb or be retained on the MICROPACKED-ST column; periodic column conditioning is therefore recommended.</p></div></div></div></div></div></div></section></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 30, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 20th 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 / ASMS </strong>and technical note by<strong> KNAUER!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Comprehensive characterization of oligonucleotides and related impurities using advanced LC/Q-TOF analytical workflows</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_oligonucleotide_lc_q_tof_mp_536_asms_2026_en_agilent_b896ffee63.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Therapeutic oligonucleotides are synthetic, short nucleic acid sequences designed to modulate gene expression by targeting RNA or DNA with high sequence specificity. However, their inherent structural heterogeneity makes impurity profiling essential, as during GMP manufacturing, impurities like phosphorothioate to phosphodiester, 5′ and 3′ truncations or extensions, depurination, and abasic species can directly impact both product safety and efficacy. Antisense oligonucleotides (ASO) like Nusinersen (7127.171 g/mol) are indicated for the treatment of spinal muscular atrophy (SMA). Their closely related variants coelute with the main peak, complicating their characterization in conventional one-dimensional LC/MS workflows. To address this challenge, a 2D LC/MS strategy was implemented using the Agilent 1290 Infinity III Bio LC system with multiple heart cutting, coupled to the 6545XT AdvanceBio LC/Q-TOF and MassHunter BioConfirm software. The first-dimension separation uses an ion pairing buffer-based method to achieve higher chromatographic peak resolution, while the second dimension provides MS compatible desalting, enabling enhanced mass spectrometric sensitivity and improved detection of low-level impurities.&nbsp;</p><h4><strong>Instrumentation</strong></h4><p>1290 Infinity III Bio 2D-LC &amp; <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=6545XT"><strong>6545XT Q-TOF</strong></a> includes:&nbsp;</p><ul><li>1290 Infinity III Bio Flexible Pump (G7131A)&nbsp;</li><li>1290 Infinity III Bio High-Speed Pump (G7132A)&nbsp;</li><li>1290 Infinity III Bio Multisampler (G7137A)&nbsp;</li><li>1290 Infinity III Multicolumn Thermostat (G7116B)&nbsp;</li><li>1290 Infinity III Variable Wavelength Detector (G7114B)&nbsp;</li><li>1290 Infinity III Diode Array Detector (G7117B)&nbsp;</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=2D-LC"><strong>2D-LC System</strong></a> with MHC set up</li></ul><h4><strong>Conclusions</strong></h4><ul><li>A 2D-LC/MS workflow enabled effective separation and identification of coeluting impurities.&nbsp;</li><li>HiRes sampling with multi-injection improved resolution and throughput while preserving 1D separation for MScompatible desalting.&nbsp;</li><li>6545XT AdvanceBio LC/Q-TOF delivered accurate mass and MS/MS data for low-abundance impurity detection.&nbsp;</li><li>MassHunter BioConfirm software enabled automated sequence confirmation and impurity identification.&nbsp;</li><li>This integrated platform offers a robust solution for oligonucleotide characterization in therapeutic development.</li></ul><h3><strong>2. KNAUER: Smart Monitoring &amp; Optimization Solutions for SMB Processes: In-Line and Off-Line Tools for SMB Systems</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/VTN_0048_knauer_in_line_and_off_line_tools_for_smb_systems_50a5f1c1cf.pdf"><strong>Full PDF for download</strong></a></li></ul><p>In liquid chromatography, the purification of target compounds is classically carried out using single column batch chromatography. More efficient approaches include semi – continuous systems with two to three columns and continuous multicolumn systems. The most widely used of the latter is the simulated moving bed (SMB) chromatography which enables the continuous separation of binary or pseudo-binary mixtures. SMB purification is used in various areas such as petrochemical, pharmaceutical or food industry for the production of fine chemicals in different quantities and purities ranging from gram to tons per day. SMB systems vary significantly in size from small lab scale systems operating columns with 8 mm inner diameter (ID) to industrial systems operating columns of onemeter ID or larger.</p><p>Ideally, an SMB process is developed in a smaller lab scale system to reduce solvent and sample consumption compared to development at production scale. Once the separation parameters are established, the SMB process allows for accurate up scaling from lab to production scale. During method development but also production, different tools can be used to monitor and control the process which can be distinguished between in-line and off-line measures. The most crucial parameter, in addition to measuring the pressure, is monitoring the flow rates of the pumps, outlets and/or zones accurately with additional flowmeters. Normally, SMB systems are not equipped with detectors, but UV or RI detectors can be integrated to monitor process stability.&nbsp;</p><p>A standard off-line tool is used to analyse samples taken for one switch or cycle at the raffinate and extract outlets. The resulting chromatograms are used to check, if the separation is working. Further, samples can be taken during the process allowing the depiction of concentration profiles in the different zones. These tools will be described in more detail in the following sections.</p><h4><strong>MATERIAL AND METHODS</strong></h4><ul><li><strong>AZURA Lab SMB system</strong>: SMB, biocompatible, 30 ml/min zone1, 4 ml/min feed, 10 – 130 bar&nbsp;</li><li><strong>AZURA Lab SMB system: </strong>SMB, stainless steel, 30 ml/min zone1, 4 ml/min feed, 10 – 130 bar&nbsp;</li><li><strong>AZURA Pilot SMB system, standard: </strong>SMB, stainless steel, 250 ml/min zone1, 40 ml/min feed, 2 – 100 bar&nbsp;</li><li><strong>AZURA Pilot SMB system, high flow:</strong> SMB, stainless steel, 400 ml/min zone1, 100 ml/min feed, 2 – 60 bar</li><li><strong>Refractive index detector:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2429"><strong>AZURA® RID2.1L HighFlow detector</strong></a> 100 ml/min&nbsp;</li><li><strong>UV detector: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2428"><strong>AZURA®UVD 2.1S detector</strong></a>, w/o flow cell</li><li><strong>UV detector: </strong>AZURA®UVD2.1S UV detector, fiber optics w/o flow cell</li></ul><h4><strong>CONCLUSION&nbsp;</strong></h4><p>SMB is a continuous separation process that can run for several hours or days without interruption. Therefore, it is important to monitor the process and to be able to adapt to changes during the run. Different tools are available that can be used for process monitoring and method development. These tools can be divided into two main categories: in-line and off-line tools. In-line tools monitor parameters such as pressure and flow rate directly during the run, whereas off-line tools take a sample, which is then analyzed by an HPLC system. The tools described can be added to the KNAUER SMB systems depending on the customer’s needs. The more parameters that are measured, the better the process can be monitored. This is especially helpful during SMB method development.</p><h3><strong>3. Shimadzu / ASMS: Accelerating drug screening in forensic hair analysis by applying high-speed polarity switching in HR LC-MS/MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/TP_180_Accelerating_drug_screening_in_forensic_hair_analysis_by_applying_high_speed_polarity_switching_in_HR_LC_MSMS_168f8cc0b2.pdf"><strong>Full PDF for download</strong></a></li></ul><p>In 2023, the Society of Hair Testing (SoHT) published updated consensus guidelines for the forensic analysis of drugs of abuse in hair, defining recommended targets across eight major drug classes: opiates, cocaine, amphetamines, cannabinoids, opioids, methadone, buprenorphine, and ketamine. Legal drivers, accepted use cases, and degree of prescription differ between US and Europe but in both jurisdictions, mass spectrometry is widely applied to support legally defensible conclusions. The challenge for any drug testing in hair samples, whether it is in forensic and safeguarding contexts, workplace testing or a judicial setting is the need to develop methods capable of detecting expanded search panels with the increased prevalence of new psychoactive substances (NPS) and non-medical prescription drug use. The approach applied in this work considered a LC/QTOF analysis using DDAMS/MS with rapid polarity switching with a novel data processing application, Insight Profiler. The software was designed to support a single click approach to automate data processing of complex data sets in non-targeted analysis from feature detection to compound identification.</p><h4><strong>Materials and Methods</strong></h4><h5><strong>Reversed phase LC Separation: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexera+X2"><strong>Nexera X2&nbsp;</strong></a></h5><ul><li>Shim-pack Velox Biphenyl (100 x 2.1 mm, 2.7 µm) column; column temp. 40 ºC, flow rate: 0.3 mL/min, 17 min total analysis time. Methanol:water gradient with 2 mM ammonium formate and 0.002% formic acid&nbsp;</li></ul><h5><strong>High resolution QTOF analysis: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-9050"><strong>LCMS-9050&nbsp;</strong></a></h5><ul><li>MS scan m/z 100-1000, 100 msec scan time. Polarity switching time 800 msec.&nbsp;</li><li>MS/MS DDA: 4 scans in positive ion mode (m/z 40-1000, 33 msec), 2 scans in negative ion mode (m/z 40-1050, 33 msec) CE 5-55V (1.998 sec total cycle time).</li></ul><h5><strong>Data processing</strong></h5><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=Insight+Profiler"><strong>Insight Profiler</strong></a>, feature detection threshold set to low, compound identification search lists included NIST, HighResNPS, Shimadzu Forensic Toxicology database.</p><h4><strong>Conclusions&nbsp;</strong></h4><ul><li>The targeted DDA-MS/MS polarity switching approach successfully identified a significant number of unknown compounds in the samples not routinely targeted by triple quadrupole analysis.&nbsp;</li><li>The method using DDA-MS/MS was easily configured to support an expanded DoA target panel to meet the needs of forensic toxicology screening.&nbsp;</li><li>Non-targeted analysis using Insight Profiler accelerated data analysis by aligning identified compounds from the same hair donor showing direction of change for pharmaceutical and illicit compounds detected.</li></ul><h3><strong>4. Thermo Fisher Scientific / HPLC Symposium: Enhancing semi-volatile analyte detection in HPLC-CAD using temperature coupling mode for optimized evaporation control</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_004766_hplc_vanquish_cad_fatty_acid_quantification_po004766_na_en_4a0868c2cb.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Polysorbates are widely used in biopharmaceutical formulations but can degrade or contain FAs impurities that must be accurately measured to ensure product quality and safety. Charged Aerosol Detection is commonly used for FA analysis, though its performance depends strongly on EvapT. Higher EvapT improves S/N ratios but can reduce sensitivity for semi-volatile compounds like FAs, while lower EvapT has the opposite effect. The <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2176"><strong>Thermo Scientific Vanquish Charged Aerosol Detector P</strong></a> series introduces a Temperature Coupling Mode that links EvapT with the charging detection module (CDM) temperature, overcoming limitations of earlier systems with fixed CDM temperature of 40 ºC. This coupling improves response and measurement reliability for semi-volatile species, enabling better optimization of FA analysis<sup>1</sup>.</p><h4><strong>Conclusions&nbsp;</strong></h4><ul><li>Advanced temperature control in CAD improved method sensitivity up to ~47% for semi-volatile fatty acids.&nbsp;</li><li>The best overall S/N was achieved at 25.0 °C EvapT with Temperature Coupling Mode enabled.&nbsp;</li><li>The optimized CAD approach supports more sensitive FA impurities and degradants quantification in pharmaceutical and biopharmaceutical formulations.</li></ul><h3><strong>5. Waters Corporation / ASMS: High mass and spatial resolution MS imaging of soft fruit sample cross-sections using desorption electrospray ionization (DESI)</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009492_282619e388.pdf"><strong>Full PDF for download</strong></a></li></ul><div><div><section><div><div><div><div><div><div><p>This poster demonstrates the use of <strong>desorption electrospray ionization mass spectrometry imaging (DESI MSI)</strong> for visualizing the spatial distribution of metabolites in high-water-content soft fruits, specifically strawberries and raspberries. The authors developed a simple direct-transfer workflow to overcome the challenges associated with imaging delicate fruit tissues and compared three transfer substrates: plain glass microscope slides, nitrocellulose membranes, and Hamamatsu Poropare plates. The goal was to determine which surface best preserves metabolite localization while enabling high-quality mass spectrometry imaging.</p><p>Fresh fruit cross-sections were transferred to each substrate by direct contact for 10 seconds before analysis using a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=5&amp;search=DESI+XS"><strong>Waters DESI XS ion source</strong></a> coupled to a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2433"><strong>Waters Xevo™ MRT P10 high-resolution mass spectrometer</strong> </a>operating in negative electrospray ionization mode. MS imaging was performed with a <strong>50 µm pixel size</strong>, using a <strong>95:5 methanol/water</strong> spray solvent, while sucrose (m/z 341.1089) served as the lock mass for accurate mass calibration. High mass resolution enabled tentative assignment of metabolites such as citric acid, asparagine, malic acid, glutamic acid, palmitic acid, stearic acid, and sucrose.</p><p>The comparison of transfer substrates revealed significant differences in metabolite localization and image quality. Glass slides produced the strongest metabolite signals but also exhibited considerable metabolite delocalization during sample transfer, reducing spatial accuracy. Nitrocellulose membranes transferred a broader range of metabolites and provided complementary chemical information, although they also showed greater analyte spreading and suffered physical damage after a single DESI acquisition. In contrast, <strong>Poropare plates</strong> minimized metabolite delocalization and preserved fine structural details within the fruit cross-sections, despite producing somewhat lower signal intensities than glass slides.</p><p>The study concludes that direct transfer combined with DESI MSI is an effective approach for imaging soft fruit tissues that are otherwise difficult to analyze because of their high water content. Among the evaluated substrates, <strong>Hamamatsu Poropare plates</strong> provided the best balance between spatial resolution and preservation of metabolite localization, making them particularly suitable for high-resolution metabolomic imaging, while high mass accuracy facilitated confident tentative metabolite identification.</p></div></div></div></div></div></div></section></div></div>

News from LabRulezLCMS Library - Week 30, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 27th July 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies </strong>and<strong> Thermo Fisher Scientific, </strong>poster by <strong>MDCW / University of Washington </strong>and brochure by <strong>Shimadzu!</strong></p><h3><strong>1. Agilent Technologies: Routine Trace‑Level Analysis of m‑Xylene in High‑Purity p‑Xylene</strong></h3><p><strong>Using the </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890B"><strong>Agilent 8890B GC system</strong></a></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_trace_analysis_m_xylene_high_purity_p_xylene_5994_9329en_agilent_508bcfb48c.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>The Agilent 8890B GC system builds on the exceptional performance of the Agilent 8890A GC, with the addition of many features designed to enhance the user experience for both new and expert‑level operators. This application note explores several use cases of these features applied to a challenging GC purity method—quantifying trace‑level m‑xylene (MX) in p‑xylene (PM). This separation requires careful balancing of optimized chromatographic parameters— speed, resolution, and sensitivity. Leveraging Agilent GC Assist features, including early maintenance feedback (EMF) counters and automated peak evaluation capabilities integrated into the 8890B GC, helps maximize method robustness and instrument uptime.&nbsp;</p><p>Though conceptually simple, separating and measuring small quantities of m‑xylene in p‑xylene is a challenge that requires precise instrument control and the highest‑quality GC parts and consumables. As both compounds are positional isomers and have nearly identical boiling points, separation has historically been achieved using a long and highly polar column, such as a polyethylene glycol "wax" phase. ASTM D7504 recommends a wax column with dimensions 60&nbsp;m × 0.320 mm and 0.25 µm phase thickness. A 0.50 µm phase thickness can be used for increased resolution.1 The separation is validated with a p‑xylene standard containing approximately 1,000 ppm m‑xylene. Measuring m‑xylene at significantly lower concentrations requires an increase in resolution between MX and PX, which can be accomplished by increasing the phase thickness of the column at the cost of increased peak broadening. This broadening negatively impacts the limit of detection (LOD) and the limit of quantification (LOQ) for MX and must be offset by reducing the inner diameter of the column to resharpen the peak. This application note demonstrates the use of 0.200 mm and 0.100 mm id wax columns to yield optimized separations, presenting the associated benefits and limitations of both&nbsp;separations.</p><h4><strong>Experimental</strong></h4><p>An <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890B"><strong>8890B GC</strong></a> was configured with an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7650A"><strong>Agilent 7650A automatic liquid sampler</strong></a> (ALS), split/splitless (SSL) inlet, and flame ionization detector (FID). Two columns were used to explore two different separation speeds—a faster separation with less sample capacity using an Agilent J&amp;W DB‑WAX&nbsp;FF column, 20 m × 100 µm, 0.2 µm (p/n 127‑7023FF) and a higher‑resolution separation with more sample capacity using an Agilent <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=J%26W+HP%E2%80%91INNOWax"><strong>J&amp;W HP‑INNOWax</strong></a> column, 50 m × 200 µm, 0.4 µm (p/n 19091N‑205I). Both methods used hydrogen carrier gas, and Agilent Gas Clean filters were used to remove moisture, hydrocarbons, and oxygen from the carrier gas and FID hydrogen. The FID air was filtered for moisture and hydrocarbons. The GC configuration and method details can be found in Tables 1 and 2, respectively.</p><h4><strong>Results and discussion</strong></h4><p>Establishing and ensuring the method’s long‑term stability requires protecting the column stationary phase by limiting the amount of oxygen in the system. While carrier gas contamination is typically the largest source of unwanted oxygen, the inlet septum can also contribute to oxygen ingress as successive syringe injections create a hole, necessitating regular changing. The Agilent portfolio of consumables and supplies has several solutions specifically designed to overcome these challenges. The Gas Clean purification system features a carrier gas filter that removes oxygen, moisture, and hydrocarbons and includes a color‑changing visual indicator of filter life, which can be monitored remotely by the 8890B GC using an optional optical sensor. Advanced Green septa are engineered for low bleed and extended durability, further enhanced by using a Blue Line autosampler syringe with a tapered needle to reduce physical coring of the septum. Regular maintenance of these parts maximizes instrument uptime. The 8890B GC has several features designed to warn when maintenance is approaching, assist when maintenance is required, and track when maintenance is completed.</p><p>The 8890B GC features intelligent tracking of the ages of consumables using injection‑ and time‑based counters. These EMF counters feature two optional warning thresholds—"Service Warning" and "Service Due"—that are user‑configurable and function like the oil light on the dashboard of a vehicle, telling users of approaching maintenance. The EMF counters can be accessed directly through the GC touchscreen or through the GC Assist interface. Figure 1 shows an overview of the EMF counters for the front inlet, and Figure 2 presents the detailed history of septum maintenance, including a running tally of injections on the current septum. When performing maintenance on the 8890B GC using the guided maintenance process on the touch screen or GC Assist interface, the EMF counters are automatically reset at the end of the procedure and can also be reset manually. For this application, the EMF counters and appropriate warning thresholds for the septum, liner, syringe, column, inlet gold seal, and carrier gas filter will be explored.</p><h4><strong>Conclusion</strong></h4><p>The Agilent 8890B GC system—powered by the highest‑quality Agilent columns and supplies—delivers a robust, sensitive solution for measuring trace‑level m‑xylene (MX) in p‑xylene (PX). The Agilent J&amp;W HP‑INNOWax column produced the highest‑resolution separation and the best retention time stability, with an S/N ratio of 98.5 for 50&nbsp;ppm MX. The narrower Agilent J&amp;W DB‑WAX FF column yielded a 40% faster run time at the cost of lower resolution and retention time stability, with an S/N ratio of 27.7 for 50&nbsp;ppm MX. The integrated Agilent GC Assist features, peak evaluation and early maintenance feedback (EMF) counters, provide intelligent, automated monitoring of system and separation health, maximizing instrument uptime and supporting long‑term success with routine trace analysis.</p><h3><strong>2. MDCW / University of Washington: Developing 2D mzCompare for single GC×GC-TOFMS chromatograms: Substantial resolution enhancement in the context of statistical overlap theory</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_4_Wenjing_899f31a19e.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>Accurate identification of all detectable analyte components in a single comprehensive twodimensional (2D) gas chromatography time-of-flight mass spectrometry (<strong>GC×GC-TOFMS</strong>) chromatogram is a fundamental interest in the field. Herein, we developed a new algorithmic software approach called 2D mzCompare to generate accurate peak tables for GC×GCTOFMS. Extending from our original method for one-dimensional GC-MS data, the 2D mzCompare algorithm discovers selective mass channels (m/z) for each analyte to resolve overlapping peaks and improve analyte identification, leveraging the similarity in retention time and peak shape across m/z of the same analyte. The 2D mzCompare algorithm calculates the peak shape similarity between m/z at every modulation via lack-of-fit (LOF), followed by clustering and focusing steps, to generate a final peak table. To evaluate this software, we simulated realistic GC×GC-TOFMS data in the context of the statistical overlap theory (SOT), so the exact number and identities of analytes are known a priori. Utilizing an in-house mass spectrum library of similar compounds, GC×GC-TOFMS chromatograms were simulated with varying degrees of chromatographic saturation (𝛼2𝐷). First, we provide a new algorithmic approach, 2D mzCompare, to resolve overlapped analytes in GC×GCTOFMS data, and second, we validate the accuracy of the software performance using SOT.</p><h4><strong>Conclusions and Future Work</strong></h4><p>An extended algorithm, 2D mzCompare designed for intra-chromatogram comparison to enable rigorous analyte discovery and identification, was developed for GC×GC-TOFMS data. Within the context of SOT, 2D mzCompare increases separation resolution by computationally minimizing the 2D peak widths, enhancing 2D peak capacity and reducing the saturation factor. At low saturation factors (𝛼2𝐷= 0.01, 0.03, and 0.1), over 95% of the simulated components are found to be mathematically resolved singlets (pure analyte components) by 2D mzCompare, while approximately 62% were found at 𝛼2𝐷 = 1, exceeding predictions made by SOT. Using optimized 2D mzCompare parameters, improvements in 2Rs and 𝛼2𝐷 are about 12-fold, empirically validating SOT expectations. Furthermore, 2D mzCompare can be used as a preprocessing tool to determine or validate the “rank” (the number of analyte components) in overlapped regions of GC×GC-TOFMS chromatograms when combined with chemometric methods such as MCR-ALS or PARAFAC. Future studies will focus on applying the algorithm to real sample datasets.</p><h3><strong>3. Shimadzu: Meet The World’s First Multi-Mode FID In </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GC-2060"><strong>Nexis GC-2060</strong></a></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/s_gc_f33_3f7f48eead.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>High Performance And Low Maintenance Multi-Mode FID&nbsp;</strong></h4><p>The new FID-U (2.0) in the Nexis <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GC-2060"><strong>GC-2060</strong></a> reengineers conventional FID to maximize uptime and efficiency. With new Air and O2 makeup gas options, you can streamline your gas supply – saving cylinder costs and lab space. Its capabilities can be further expanded with Shimadzu’s proprietary Jetanizer and Polyarc microreactors.</p><h4><strong>Cylinder-Free FID Operation With Hy/Ox and Hy/Air Modes</strong>&nbsp;</h4><p>Routine operation with traditional FIDs is often costly and complex, requiring a three-gas setup: a He or N<sub>2</sub> makeup gas combined with H<sub>2</sub> and Air. The new FID simplifies your infrastructure by introducing Air and O<sub>2</sub> as makeup gas alternatives, unlocking true cylinder-free operation.* This helps to reduce running cost and cut helium usage.</p><h4><strong>Keep Your Bench Space As You Expand Your Analyte Coverage&nbsp;</strong></h4><p>Seamlessly integrate Jetanizer and Polyarc microreactors to boost detector response for weak or undetectable compounds. The new FID delivers simpler quantitation and broader analysis capabilities with zero extra footprint.</p><h4><strong>Jetanizer Mode (CO and CO2 Detection)&nbsp;</strong></h4><ul><li>Converts CO and CO2 to CH4 for detection&nbsp;</li><li>Enabled by simply replacing the FID nozzle&nbsp;</li></ul><h4><strong>Polyarc Mode (Single-Calibration Approach)&nbsp;</strong></h4><ul><li>Converts hydrocarbons, CO and CO2 to CH4 for detection&nbsp;</li><li>Provides universal response across compounds&nbsp;</li><li>Quantitates the above using just one calibration curve</li></ul><h3><strong>4. Thermo Fisher Scientific: Measuring destruction efficiency of greenhouse gases released by semiconductor fabrication tools</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/AN_54654_MAX_i_R_Semi_Febrication_EN_9ce9475305.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Background&nbsp;</strong></h4><p>Modern materials processing activities involve the use of cold plasmas employing fluorinated gases as reactive species. Some of these gases have been demonstrated to exhibit deleterious environmental consequences resulting in their being labelled as greenhouse gases or GHGs. Among the list of GHGs undergoing intense review are those of fluorinated gases, such as NF<sub>3</sub>, CF<sub>4</sub> , SF<sub>6</sub>, CH<sub>2</sub>F<sub>2</sub> , etc. Many of these gases are either reactants or are generated as by-products of semiconductor wafer fabrication processes, such as etching and chemical vapor deposition. Therefore, semiconductor fabrication plants (SemiFabs) employ abatement tools to destroy and dilute these fluorinated gases before they reach a stack scrubber. This process assures that they will meet EPA regulations which require yearly facility-dependent GHG emission audits. European and Asian semiconductor manufacturers must meet similar regulations as well.&nbsp;</p><h4><strong>Problem&nbsp;</strong></h4><p>To ensure that the abatement process occurs efficiently, SemiFabs are required to audit selected abatement devices (one per each wafer processing tool employed) such that each device gets periodically reviewed for efficiency in destroying these GHGs before they are released to the scrubber. Since there are hundreds of abatement devices within a single SemiFab, the monitoring process must be accurate, fast (one or two hours), and able to monitor multiple fluorinated species simultaneously. Most SemiFabs utilize a series of devices to perform the necessary measurements required to calculate an overall destruction efficiency for each fluorinated species. Among the measurements required are the dilution factor (the overall ratio of the flowrate into the abatement device to that of the flowrate out of the abatement device). In most cases, this requires the use of a krypton gas tracer and a mass spectrometer (for measurement of flowrate out) in addition to an FTIR to measure a separate infrared-active gas tracer (for measurement of flowrate in). Also required is another more sensitive FTIR to measure the residual fluorinated gases which survived destructive processes within the abatement device. The result is a very bulky and cumbersome system to measure input and output flows and concentrations. What is needed is a much simpler and fully integrated measurement system capable of performing ALL these tasks.</p><h4><strong>Solution&nbsp;</strong></h4><p>Thermo Fisher Scientific has developed a new methodology for measuring abatement destruction efficiencies with a much simpler system. The system uses the <strong>Thermo Scientific™ MAX-iR™ FTIR Gas Analyzer</strong> with DTGS detector in conjunction with the <strong>Thermo Scientific™ Automated Sample Console (ASC-10™)</strong>. The MAX-iR analyzer can monitor the entire IR spectral range (500-5000 cm-1) without the need for liquid nitrogen. The ASC-10 allows for the precise measurement of post-abatement flow by determining the dilution of a tracer infrared gas or gases; this obviates the need for a spacious and costly mass spectrometer and krypton gas utilized in the previous system.</p></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 31, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 27th 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 / ASMS </strong>and<strong> Waters Corporation / ASMS </strong>and application note by<strong> KNAUER!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Down in the Weeds: Automated Fast Screening Workflow for Cannabinoids in Whole Blood Using High Resolution Mass Spectrometry</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_blood_cannabinoids_lc_q_tof_mp_694_asms_2026_en_agilent_02f13ac14e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Distinguishing psychoactive tetrahydrocannabinol (THC) isomers and their metabolites from nonpsychoactive isobars and novel semi-synthetic cannabinoids like hexahydrocannabinol (HHC) is increasingly important to forensic toxicologists, as is the ability to remain up to date with novel compounds that are introduced into the population. This study describes an automated two-step chromatographic workflow that utilizes an initial fast screen method followed by reinjection with specific chromatography to resolve isobars if a suspect is detected in the fast screen on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=Revident"><strong>Revident LC/Q-TOF</strong></a><strong> </strong>with<strong> </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=1290+infinity+II+lc"><strong>1290 Infinity II LC</strong></a> (Figure 1). This allows for a larger number of samples to be screened more quickly while ensuring chromatographic resolution of isomers for confirmation. The data acquisition mode enables laboratories to interrogate data retrospectively to determine if novel compounds were present in any given sample.</p><h4><strong>Conclusions</strong></h4><ul><li>Clear and concise software workflow for quick screening analysis&nbsp;</li><li>Baseline resolution of THC isomers and interferences in longer method to allow for confident identification&nbsp;</li><li>All Ions acquisition method allows for retrospective data interrogation with fragment analysis</li></ul><h3><strong>2. KNAUER: Scaling up LNP formulation using a Reynolds number-based methodology</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/VPH_0084_knauer_scaling_up_lnp_formulation_using_a_reynolds_number_based_methodology_e05e67ca78.pdf"><strong>Full PDF for download</strong></a></li></ul><p>LNPs have become an essential enabling technology for RNA-based therapeutics and next-generation drug delivery systems. As these applications progress from laboratory research [1,2] to commercial manufacturing, process robustness and scalability become increasingly important. Beyond scalability, consistent product quality is critical.&nbsp;</p><p>In pharmaceutical development, predefined critical quality attributes (CQAs) such as particle size, PDI, encapsulation efficiency and active pharmaceutical ingredient (API) integrity define whether a formulation meets its intended performance and regulatory requirements. These CQAs are established during early formulation development and must be maintained throughout scaleup to ensure product consistency, pharmaceutical efficacy and reproducibility.</p><p>LNPs are typically generated by controlled mixing of a lipid phase in ethanol with an aqueous buffer containing the nucleic acid payload. The rapid solvent exchange initiates lipid self-assembly and determines the resulting nanoparticle characteristics. Because particle formation occurs on timescales comparable to the mixing process, the interplay between hydrodynamics and nanoparticle assembly is a key determinant of final product quality. Even minor variations in mixing conditions can influence particle size distribution, encapsulation efficiency, and overall formulation consistency.&nbsp;</p><p>To establish robust and scalable manufacturing processes, the underlying transport phenomena must be described independently of an operating scale. Dimensionless numbers provide a powerful framework for this purpose. The Reynolds number (Re) characterizes the flow regime and mixing intensity by relating inertial and viscous forces, while the Damköhler number (Da) describes the relationship between the characteristic timescales of mixing and nanoparticle formation. Together, these parameters provide a quantitative basis for understanding and controlling LNP self-assembly.</p><h4><strong>RESULTS&nbsp;</strong></h4><h5><strong>R&amp;D Evaluation and Hydrodynamic Characterization&nbsp;</strong></h5><p>The experimental study was initiated on <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=503&amp;search=IJM+NanoScaler"><strong>KNAUERs IJM NanoScaler</strong></a>, where multiple LNP formulations were developed and characterized under defined process conditions. During this phase, formulation parameters such as lipid composition, flow rate ratio (FRR), and total flow rate (TFR) were systematically varied to establish target CQAs, particularly particle size and PDI. In addition to recording volumetric flow parameters, the corresponding hydrodynamic conditions were quantified by calculating Re for each experimental setting, thereby the prevailing flow regime within the impingement zone.&nbsp;</p><h5><strong>Determination of a Critical Reynolds Number&nbsp;</strong></h5><p>Particle size was evaluated to depend on the Re using the <strong>IJM NanoScaler </strong>(Fig. 1). At Re below 500 particle sizes of 100 nm and larger were observed, indicating insufficient mixing and heterogeneous supersaturation conditions. With increasing Re, particle size decreased until reaching a plateau region at around 52 nm. Above a critical Reynolds number of ~ 750, further increases in flow rates did not significantly affect particle size. This plateau defines the hydrodynamic condition required to achieve minimal particle size for the given formulation.</p><h4><strong>CONCLUSION&nbsp;</strong></h4><p>A critical Reynolds number defining stable particle size and PDI was successfully identified on the R&amp;D-scale IJM NanoScaler. Operating above this threshold ensured consistent nanoparticle characteristics within a defined plateau region.</p><p>By transferring these hydrodynamic conditions to the benchtop system, predefined CQAs were reliably maintained across scales. The data demonstrate reproducible particle size and PDI during scale-up while enabling a substantial increase in throughput. These findings highlight that a Reynolds number driven approach provides a robust and scalable framework for predictable LNP manufacturing using IJM technology.</p><h3><strong>3. Shimadzu / ASMS: High-Throughput Ultra-Short-Chain PFAS Analysis in Drinking Water using LC-MS/MS with Automated Sample Preparation</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/TP_125_High_Throughput_Ultra_Short_Chain_PFAS_Analysis_in_Drinking_Water_using_LC_MSMS_with_Automated_Sample_Preparation_69e7985cce.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Ultra-short- and short-chain PFAS are highly mobile and persistent contaminants that are challenging to measure in drinking water due to high polarity, low molecular weight, poor chromatographic retention, and susceptibility to laboratory background contamination. This study evaluates a high-throughput LC–MS/MS workflow with automated sample preparation for targeted quantification of ultra-short and short-chain PFAS in drinking water. Method performance was assessed using native background, matrix spike recovery, precision, LOQ accuracy, calibration performance, and continuing calibration verification.</p><h4><strong>Method</strong></h4><p>Nine target PFAS were evaluated: TFA, TFMS, PFPrA, PFMOAA, PFEtS, PFBA, PFPrS, TFSI, and PFBS. Samples and calibrants were prepared in acidified 50:50 PFAS-grade water/methanol using PFAS-grade water provided by MilliporeSigma and an automated ePrep sample preparation system equipped with PFAS-free accessories.</p><p>Chromatographic separation was performed on a polar-embedded IBD column with a delay column to improve retention and minimize background interference. Analysis was performed on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-8065XE"><strong>Shimadzu LCMS-8065XE triple quadrupole system</strong></a> within an 8-minute total cycle time with a 10 µL injection volume (figure 2). Drinking-water samples were collected from seven local household sources and spiked at multiple concentration levels. Samples were ran in replicates to evaluate recovery, precision, and method robustness.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>This 8-minute LC–MS/MS method enabled high-throughput analysis of ultrashort- and short-chain PFAS in drinking water. TFA background observed in blanks and unspiked samples emphasized the need for contamination control and matrix-specific background assessment. Practical LOQs were supported at 10 ng/L for most analytes and 50 ng/L for PFMOAA. Recovery and precision were generally acceptable from 100–1000 ng/L, with higher variability at 10 ng/L and for PFMOAA, indicating areas for further optimization. Calibration and CCV performance supported reliable quantification across the reportable range.</p><h3><strong>4. Thermo Fisher Scientific / ASMS: Unlocking the archived proteome: High-throughput, deep FFPE proteome profiling using the Orbitrap Astral Mass spectrometer</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_004694_lsms_protein_ffpe_orbitrap_astral_proteomics_po004694_asms2026_na_en_7cd59d64aa.pdf"><strong>Full PDF for download</strong></a></li></ul><p>FFPE tissue specimens are central to clinical pathology and translational cancer research, enabling long-term storage while preserving morphology for histology and molecular analysis. Widely available through biobanks, they support retrospective studies, biomarker discovery, and precision oncology—especially when paired with detailed clinical data. Compared to fresh tissues, FFPE samples are more accessible, scalable, and cost-effective for proteomics.</p><p>However, FFPE proteomics is technically challenging. Formaldehyde-induced crosslinking complicates protein extraction and digestion, while paraffin removal and crosslink reversal add complexity. Traditional workflows are labor-intensive, time-consuming, and prone to variability, limiting reproducibility and throughput. Although recent advances in sample preparation have improved performance, residual contaminants can still affect instrument robustness and scalability.&nbsp;</p><p>To address these challenges, we implemented a streamlined FFPE proteomics workflow that simplifies processing and improves peptide yield and reproducibility. Using FFPE lung tissue and the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2465"><strong>Thermo Scientific OptiSpray Ion source</strong></a> with the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/836"><strong>Orbitrap Astral Mass spectrometer</strong></a><strong> </strong>across two LC platforms, we achieved sensitive detection of low-abundance peptides from 20– 200 ng inputs. Combined with fast LC methods and acquisition rates of 60, 180, and 500 samples per day, this approach enables deep, scalable profiling. The automated OptiSpray Ion source also reduces instrument contamination, supporting robust, high-throughput analysis of archived clinical tissues for biomarker discovery and translational research.</p><h4><strong>Experimental procedure&nbsp;</strong></h4><h5><strong>Sample preparation&nbsp;</strong></h5><p>Lung tumor and lung normal samples were de-paraffinized using xylene and sequential ethanol washes. The optimized protein extraction protocol and Thermo Scientific EasyPep Mini MS sample prep kit was used to prepare the digest samples from FFPE sections of normal and tumor lung samples. Protein concentration was measured using Thermo Scientific Pierce Rapid Gold BCA Protein Assay kit. The peptides were quantified using the Thermo Scientific Pierce Fluorometric Peptide Assay Kit before LC-MS/MS analysis. For <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=291&amp;search=Evosep+ENO"><strong>Evosep ENO</strong></a>, peptides were loaded on EvoTips .&nbsp;</p><h5><strong>LC-MS analysis&nbsp;</strong></h5><p>Samples were injected onto an Thermo Scientific OptiSpray µPAC Neo Cartridge (P/N OS-UPAC050NAN) and Thermo Scientific OptiSpray µPAC Neo High-Throughput Cartridge (P/N OS-UPAC005CAP) and separated using 20 min (60 SPD) and 6.8 min (180 SPD) gradients, respectively, in direct injection mode at 55°C on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/398"><strong>Thermo Scientific Vanquish Neo UHPLC System</strong></a>. For 500 SPD (2.3 min) separation, samples were processed on Evosep ENO using an Evosep EV1182 Performance Column at 40 °C. Detailed LC and MS parameters are provided in Tables 1–2.&nbsp;</p><h5><strong>Data analysis Spectronaut® Software&nbsp;</strong></h5><p>The raw DIA files from both the labeled and unlabeled samples were analyzed together using Biognosys Spectronaut® Software in directDIA mode. Exported output files were imported to R Studio (2023.09.0 Build 463) with R (v4.3.1) for downstream data analysis and visualization.</p><h4><strong>Conclusions&nbsp;</strong></h4><ul><li>End-to-end FFPE proteomics is completed in under one day, integrating rapid sample preparation, fast LC–MS, and streamlined data analysis.&nbsp;</li><li>Deep proteome coverage is achieved from FFPE lung tissue, with up to ~8,600 protein groups and &gt;100,000 peptides identified from 200 ng input in 20 min.</li><li>Increasing throughput by up to ~8× (60 to 500 SPD) with moderate loss in depth, retaining ~70% of proteins at 180 SPD and ~45% at 500 SPD.&nbsp;</li><li>Robust quantitative performance is maintained at low sample input (20 ng) and across acquisition speeds, with median CVs ≤10%.&nbsp;</li><li>The workflow enables reliable differential expression and pathway analysis at scale, demonstrating its utility for biological insight into lung tumor and normal tissues.</li></ul><h3><strong>5. Waters Corporation / ASMS: Identification of Novel Per-and-Polyfluoroalkyl Substance (PFAS) Isoform in Textile Using a Multi-Reflecting Time-ofFlight Mass Spectrometer Technology</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009415_0b95241dfd.pdf"><strong>Full PDF for download</strong></a></li></ul><div><div><section><div><div><div><div><div><div><p>The poster presents a non-targeted LC-MS/MS workflow for identifying <strong>per- and polyfluoroalkyl substances (PFAS)</strong> in textile materials using high-resolution mass spectrometry. As concerns over PFAS exposure continue to grow, conventional targeted methods often capture only a limited number of compounds. The authors therefore combined <strong>data-dependent acquisition (DDA)</strong> with high-resolution accurate-mass analysis to characterize PFAS profiles more comprehensively, enabling the identification of novel PFAS isoforms and halogenated contaminants with high confidence.</p><p>The analytical workflow was based on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/191"><strong>Waters ACQUITY Premier UPLC system</strong></a> equipped with a PFAS solution installation kit and an <strong>ACQUITY Premier BEH C18 (2.1 × 50 mm, 1.7 µm) column</strong>, coupled to the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2433"><strong>Waters Xevo MRT P10 multi-reflecting time-of-flight (MRT) mass spectrometer</strong></a>. Textile reference material was extracted according to <strong>EN 17681-1:2025</strong>, and LC-MS/MS data were acquired in <strong>data-dependent acquisition (Top 5 DDA)</strong> mode. Data processing and compound identification were performed using the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1544"><strong>waters_connect™ Software Platform</strong></a>, combining accurate precursor and fragment masses with isotopic information.</p><p>A key innovation of the study was the implementation of <strong>mass defect-directed DDA</strong>. By creating a database of nearly <strong>19,600 unique PFAS-related compounds</strong> and using their characteristic mass defects to guide precursor selection, the workflow reduced the number of non-specific MS/MS spectra by approximately <strong>25%</strong>. This allowed the instrument to focus on PFAS-like compounds more efficiently, increasing the number of informative fragmentation spectra and improving the identification of previously unknown PFAS species. The approach successfully identified compounds such as <strong>N-ethyl perfluorooctane sulfonamidoethanol (N-EtFOSE)</strong> in textile extracts with excellent mass accuracy (1.1 ppm).</p><p>The authors conclude that <strong>mass defect-driven DDA</strong> significantly enhances non-targeted PFAS screening by reducing unnecessary MS/MS acquisitions while increasing the number of confidently identified PFAS and PFAS-like compounds. They also suggest that this strategy can be extended beyond PFAS analysis to other classes of persistent environmental contaminants, including <strong>polychlorinated biphenyls (PCBs)</strong> and <strong>polybrominated biphenyls (PBBs)</strong>, making it a promising approach for broader environmental and materials analysis.</p></div></div></div></div></div></div></section></div></div>

News from LabRulezLCMS Library - Week 31, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 3rd August 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 / ASMS </strong>and application note by<strong> Metrohm!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Ultra-Trace Quantification of N-Nitroso-desmethyl-sumatriptan with Interference Resolution Using LC–TQ</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/1290_infinity_iii_uhplc_6495d_lc_tq_desmethyl_sumatriptan_asms_2026_mp_667_agilent_ebb0888227.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Sumatriptan succinate, an antimigraine drug contains nitrosylating functional groups and is susceptible to forming its own nitrosamine drug substance-related impurity (NDSRI), specifically N-nitroso-desmethylsumatriptan. As a Category 1 genotoxic impurity, its specification limit is established at 0.0428 ppm with respect to the API. In this study, samples and standards were prepared in methanol:water (1:1, v/v). The LC/TQ method was developed with a target limit of detection (LOD) at least 20-fold lower than the specification limit to ensure adequate sensitivity. Analytical data were collected in replicate for a 10 mg/mL API sample, as well as LOQ- and specification-level spiked samples, to evaluate recovery, relative standard deviation (RSD), linearity, and repeatability.</p><h4><strong>Experimental</strong></h4><ul><li><strong>LC System: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=1290+Infinity+III+UHPLC"><strong>1290 Infinity III UHPLC</strong></a></li><li><strong>MS:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=6495D"><strong>6495D LC/TQ</strong></a></li><li><strong>Column:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=Poroshell+120+EC+C18"><strong>Poroshell 120 EC C18</strong></a>, 3x150mmx2.7µm, 40 Deg C</li></ul><h4><strong>Conclusions&nbsp;</strong></h4><ul><li>A sensitive and robust method has been developed for N-nitroso-desmethyl Sumatriptan in Sumatriptan.&nbsp;</li><li>Method LOQ is 10% lower than specification level, RSD of &lt;5%, and linearity across 0.00214 to 0.1 ppm.&nbsp;</li><li>The recovery of NDSRI in Sumatriptan at LOQ level and specification level are 95%.</li></ul><h3><strong>2. Metrohm: Moisture analysis of rebaudioside M by Karl Fischer titration</strong></h3><p><strong>Simplified rebaudioside M moisture determination via volumetric Karl Fischer titration paired with an oven system</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_k_075_download_59f185c238.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Natural sweeteners like stevia and its derivatives are an increasingly important part of the global sweetener market as more consumers substitute sugar with healthier alternatives. Stevia’s derivatives are significantly sweeter than table sugar. These compounds are estimated to be 50 to 300 times sweeter in comparison. This sweet taste coupled with the fact that the human body cannot metabolize steviol glycosides (i.e., they contribute zero calories to one’s diet), makes them a very attractive sugar replacement.&nbsp;</p><p>The moisture content of stevia materials is a crucial factor when discussing their shelf life and stability. Measuring the moisture content of a stevia derivative, rebaudioside M, using an oven system coupled with volumetric Karl Fischer (KF) titration provided a repeatable approach for quantifying the moisture content of this material.</p><h4><strong>Experimental</strong></h4><p>The analysis was carried out with a Double Pt ring electrode for volumetry (6.00346.100). Testing was executed on the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=220&amp;search=874+Oven+Sample+Processor"><strong>874 Oven Sample Processor</strong></a> (2.874.0120) coupled with an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=220&amp;search=852+Titrando"><strong>852 Titrando</strong></a> (2.852.0060). Approximately 0.2 g of sample was weighed into an 874 Oven Sample Processor 6 mL vial and placed onto the rack. The oven was set to a temperature of 100 °C, and the evaporated moisture was carried to the volumetric titration vessel by nitrogen gas flow at 70 mL/min. The moisture from the sample was titrated with Hydranal Comp 5 reagent.</p><h4><strong>Conclusion</strong></h4><p>Natural low-calorie sweeteners like stevia derivatives are growing in popularity as people choose healthier alternatives to sugar. Working to develop standardized, specific methodology can help support sweetener industry development, effective quality assessment, and the evaluation of rebaudioside M and other steviol glycosides’ stability.&nbsp;</p><p>This Application Note provides a foundation for the analysis of stevia powder by Karl Fischer titration. An oven system paired with volumetric Karl Fischer analysis provides an accurate, repeatable method to evaluate stevia powder and its derivatives. This method’s compatibility with the 874 Oven Sample Processor allows increased sample throughput through automation, providing operators even more time to complete other important tasks in parallel.</p><h3><strong>3. Shimadzu / ASMS: Quantitative analysis of 6 beta blockers on an LCMS-8045RX</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/WP_131_Quantitative_analysis_of_6_beta_blockers_on_an_LCMS_8045_RX_f596f609f4.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Beta-adrenergic blocking agents, commonly known as beta blockers, competitively inhibit the binding of catecholamines such as epinephrine and norepinephrine to β-adrenergic receptors, thereby reducing heart rate and blood pressure. These drugs are widely prescribed for the treatment of hypertension, angina and heart failure<sup>1</sup> . However, beta blockers may also be misused by athletes resulting in their inclusion on the World Anti-Doping Agency (WADA) prohibited list<sup>2</sup> . Owing to both their therapeutic importance and potential misuse, sensitive and selective analytical methods are required for reliable detection and quantification. Liquid chromatography tandem mass spectrometry (LC-MS/MS) offers high sensitivity and specificity for such analyses.</p><h4><strong>Method</strong></h4><p>Nadolol, metoprolol, propranolol, atenolol &amp; carvedilol were purchased from Sigma Aldrich and Thermo Fisher Scientific. Standards were prepared in 1 mg/mL in LCMS grade methanol. <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexera+40"><strong>Nexera 40-series HPLC system</strong></a> connected to a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LCMS-8045RX"><strong>LCMS-8045RX</strong></a> was used for data acquisition. The mixture of standards was further diluted in LCMS grade methanol (Sigma Aldrich) and Sigmatrix urine diluent to create the standards for the calibration curves. A Shim-pack Velox Biphenyl column was used for the chromatographic separation. All analytes were ionized with electrospray ionization (ESI) in positive ion mode.</p><h4><strong>Conclusion&nbsp;</strong></h4><ul><li>Superior sensitivity in complex matrices: Limit of Detection (at accuracy ±20% and S/N &gt; 3) of 0.010 ng/mL for all the analytes evaluated in this study.</li><li>Excellent linearity and accuracy: Linear responses (with R2 &gt; 0.99) observed across the evaluated concentration range, and consistent accuracy within ±20% for all 17 calibrants included in this study.&nbsp;</li><li>Optimized throughput: Automated interface and MRM optimization via LabSolutions Connect MRM ensured maximum signal-to-noise determination for this study, while the high-organic flush at the end of each run, maintained column integrity</li></ul><h3><strong>4. Thermo Fisher Scientific / HPLC Symposium: A switchable 2D-LC platform in PAT: routine UV monitoring or MS-based characterization of mAb PQAs directly from the bioreactor</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_004764_hplc_vanquish_2dlc_mabs_analysis_bioreactor_samples_po004764_na_en_7a99c1b683.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Monitoring quality attributes throughout the upstream processing of mAbs is critical due to potential effects of biological variability on product safety and efficacy. Thus, there is a growing need for streamlined analytical workflows that provide timely and reliable insights to enable fast and informed process decisions.</p><h4><strong>Materials and methods</strong></h4><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/743"><strong>Thermo Scientific Vanquish Flex Simple</strong></a> Switch 2D-LC system for loop heart-cutting consisting of Quaternary Pump F (VF-P20-A), Binary Pump F (VF-P10-A-01), Dual Split Sampler FT (VF-A40-A-02), 2x Column Compartment H (VH-C10-A-03), and Diode Array Detector FG (VF-D11-A-01)&nbsp;</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1490"><strong>Thermo Scientific Orbitrap Exploris MX Mass Detector</strong></a> (BRE725536) with BioPharma option (BRE725539)&nbsp;</li><li>Thermo Scientific MAbPac Protein A column, 12 µm, 4 x 35 mm (PN 082539)&nbsp;</li><li>Thermo Scientific ProPac 3R SCX, 2 x 50 mm, 3 µm (PN 43103-052068)&nbsp;</li><li>Thermo Scientific MAbPac SEC-1, 5 µm, 4 x 300 mm (PN 074696)</li></ul><h4><strong>Data analysis&nbsp;</strong></h4><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76"><strong>Thermo Scientific Chromeleon 7.3.2 Chromatography Data System (CDS) </strong></a>and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1837"><strong>Thermo Scientific BioPharma Finder 5.2 software</strong></a></p><h4><strong>Conclusions&nbsp;</strong></h4><ul><li>Switchable 2D-LC-UV/MS offers a streamlined approach for at-line monitoring of mAb titer, charge and size variants directly from the bioreactor in &lt;1h.&nbsp;</li><li>UV monitoring provides quick and simple trendlines, while HRAM-MS allows deep characterization at intact level.&nbsp;</li><li>Near real-time information supports in-time process decisions to protect yield and product quality.</li></ul><h3><strong>5. Waters Corporation / ASMS: SOFTWARE TOOLS FOR AUTOMATED LC/MS ANALYSIS OF CRITICAL QUALITY ATTRIBUTES OF mRNA MOLECULES</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009414_52de0bb71a.pdf"><strong>Full PDF for download</strong></a></li></ul><div><div><section><div><div><div><div><div><div><p>This poster presents an automated LC-MS workflow for evaluating three critical quality attributes (CQAs) of mRNA therapeutics: <strong>5′-capping efficiency, Poly(A) tail length and heterogeneity, and mRNA sequence integrity</strong>. A custom firefly luciferase (Fluc) mRNA construct containing a Cap-1 structure, 1,919 nucleotides, and a Poly(A) tail was used as the model sample. Importantly, all three CQAs were assessed using a <strong>single LC-MS assay</strong>, supported by specialized waters_connect software tools designed to streamline nucleic acid characterization from sequence entry through final data processing.</p><p>The analytical platform consisted of a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/191"><strong>Waters ACQUITY Premier Binary UPLC System</strong></a><strong> with TUV detector coupled to a </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1148"><strong>Xevo MRT Q-Tof Mass Spectrometer</strong></a>, which uses multi-reflectron time-of-flight technology. Separations were performed on an ACQUITY Premier OST 1.7 µm, 300 Å, 2.1 × 150 mm column, while data-independent acquisition was carried out in MSE mode. Data processing used the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1544"><strong>waters_connect</strong></a><strong> Informatics Platform together with SYNTHETIC Library 2.0, MAP Sequence 2.0, and INTACT Mass 1.9</strong> applications. For sequence mapping, the mRNA was independently digested using four endonucleases—RNase T1, RapiZyme MC1, RapiZyme Cusativin, and human RNase4—providing complementary cleavage patterns.</p><p>The workflow produced detailed information on both capping and Poly(A) tail characteristics. The Fluc mRNA showed <strong>100% capping efficiency</strong>, with 62.7% carrying an m7GpppAm Cap-1 structure and 37.3% an m7GpppGm Cap-1 structure; no uncapped digestion product or Cap-related impurities were detected. Poly(A) tail analysis identified ten major species ranging from <strong>98-mer to 107-mer</strong>, resulting in an average Poly(A) tail length of <strong>102.3 nucleotides</strong>. The Xevo MRT Q-Tof provided high-resolution measurements—approximately 100,000 resolution in the examples shown—and very good mass accuracy for the detected Poly(A) species.</p><p>For sequence integrity, combining the four complementary enzymatic digestions achieved <strong>93.7% unambiguous mRNA sequence coverage</strong>, demonstrating the value of a multi-enzyme approach for comprehensive sequence confirmation. MAP Sequence 2.0 also automatically distinguished structural isomers using elevated-energy fragment-ion information, helping resolve isobaric and isomeric digestion products with less manual interpretation. Overall, the poster demonstrates that high-resolution MSE acquisition on the <strong>Xevo MRT Q-Tof combined with automated waters_connect informatics</strong> can provide an integrated and efficient approach for comprehensive characterization of key mRNA quality attributes.</p></div></div></div></div></div></div></section></div></div>

News from LabRulezLCMS Library - Week 32, 2026

News from LabRulezGCMS Library - Week 33, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 10th August 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, Thermo Fisher Scientific / ASMS </strong>and<strong> Waters Corporation / ASMS </strong>and application notes by<strong> Metrohm and Shimadzu!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Impurity Monitoring of GLP-1 Therapeutic Peptide RetatrutideUsing a 2D-LC/TOF System</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/glp_1_impurity_monitoring_2d_lc_tof_asms_2026_mp_388_agilent_eadce3f244.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Retatrutide is a next-generation triple agonist (GLP1/GIP/glucagon) and an emerging candidate among multivalent GLP1–based therapeutics. Its structural complexity and diverse impurity profile challenge conventional one-dimensional LC methods, which often lack sufficient resolving power to separate closely related impurities, sequence variants, and synthetic byproducts.&nbsp;</p><p>In this study, we demonstrate an Agilent multiple heart-cutting 2D-LC platform that enables rapid online solvent exchange and enhanced chromatographic selectivity, allowing targeted isolation of impurity peaks from a TFA-based first-dimension separation. When coupled with the Agilent 6230C Accurate Mass TOF LC/MS system, the workflow delivers fast, sensitive, and accurate mass profiling under MS-friendly second-dimension conditions, providing a robust solution for comprehensive impurity characterization of GLP-1 peptides such as Retatrutide.</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?instrumentationItems=39&amp;mainauthorItems=10&amp;search=1290+infinity+III+2D-LC"><strong>Agilent 1290 Infinity III 2D-LC system</strong></a><strong> comprised the following modules:&nbsp;</strong><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></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><h4><strong>Conclusions</strong></h4><p>Agilent 2D-LC with multiple heart-cutting effectively bridges TFA-driven chromatographic performance with FA-compatible MS detection, overcoming ion suppression limitations.&nbsp;</p><p>The integrated 2D-LC/Accurate Mass TOF workflow delivers confident impurity identification and robust characterization, supporting peptide analysis in both QA/QC and development environments.</p><h3><strong>2. Metrohm: Vinylene carbonate water determination via coulometric Karl Fischer titration</strong></h3><p><strong>Water determination in vinylene carbonate by Karl Fischer coulometric titration made simple with alcohol-free reagents</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_k_076_download_8658665940.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Vinylene carbonate (vc) is commonly used as a battery electrolyte additive in lithium-ion batteries. Its popularity is due to the positive impact it has on anode cyclability and reduction of irreversible capacity. Small amounts of moisture in Li-ion batteries can significantly decrease performance and lifetime. Therefore, moisture levels in electrolyte solutions and their additives are controlled for use in manufacturing. Until recent years, accurate moisture quantification in vinylene carbonate samples was difficult due to side reactions. With the commercial development of alcohol-free coulometric Karl Fischer reagents, accurate determination is now much more accessible to end-users.</p><h4><strong>EXPERIMENTAL</strong></h4><p>This analysis was performed using an <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=220&amp;search=852+titrando"><strong>852 Titrando</strong></a> (2.852.0060) instrument, equipped with the electrodes listed in Table 1.</p><h4><strong>CONCLUSION&nbsp;</strong></h4><p>During battery manufacturing, control of all moisture present is important to guarantee adequate performance in the finished product. More easily quantifying the moisture contribution from additives such as vinylene carbonate makes this a much simpler task. The introduction of alcohol-free Karl Fischer reagents accomplishes this effectively, allowing the generation of accurate and repeatable moisture data—even for a difficult sample matrix.</p><h3><strong>3. Shimadzu: Non-Targeted Analysis of Metabolites in Alcoholic Beverages Using LabSolutions Insight Profiler</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_01241_en_57b43edb57.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>Using an LC-QTOFMS system with LabSolutions Insight Profiler non-targeted analysis software enables comprehensive comparative analysis of metabolites in food samples.&nbsp;</li><li>Principal component analysis and volcano plots can be used to detect characteristic features in each sample.&nbsp;</li><li>A variety of functions, including MS/MS spectral library searching, enable easy qualitative analysis of components.</li></ul><p>Metabolomics, a technique that analyzes metabolites in living organisms, is increasingly being applied in the food industry for product development and quality control. A particularly powerful approach is non-targeted metabolomics, which aims to analyze not only known metabolites but also unknown compounds without prior assumptions to reveal unexpected chemical differences between samples. Quadrupole time-of-flight mass spectrometry (QTOFMS), with its accurate-mass capability, is well suited for this purpose. However, the large volume of generated data creates challenges for feature identification and data comparison.&nbsp;</p><p>This article presents a case study in which LabSolutions Insight Profiler, a software platform for non-targeted analysis, was used to characterize compounds in beer and beer-like beverages. Peak detection, retention-time alignment, and library searching were performed across multiple datasets. Multivariate analysisrevealed compound profiles that likely reflect the differences in raw materials and manufacturing processes, demonstrating the utility of the approach for beverage characterization.</p><h4><strong>LabSolutions Insight Profiler&nbsp;</strong></h4><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=LabSolutions+Insight+Profiler"><strong>LabSolutions Insight Profiler </strong></a>is software for batch processing of LC-QTOFMS data that enables non-targeted analysis through an intuitive workflow. It readily supports easy spectral feature detection, alignment, statistical processing, filtering, list screening, MS/MS spectra-based library searching, principal component analysis (PCA), displaying volcano or box plots, and more. Fig. 1 shows the data analysis workflow.</p><h4><strong>Analysis Conditions&nbsp;</strong></h4><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=nexera+X3"><strong>Nexera X3 UHPLC</strong></a> and<strong> </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=9030"><strong>LCMS-9030 systems</strong></a> were used as the analytical instruments. The LC method included in the LC/MS/MS Method Package for Primary Metabolites was used as the method. The data-dependent acquisition (DDA) mode was used to simultaneously acquire precursor m/z and MS/MS data. Table 2 shows the analysis conditions.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>In this study, compounds in various beer and beer-like beverages were analyzed by non-targeted analysis using an LCMS-9030 quadrupole time-of-flight mass spectrometer system. Analyzing compounds characteristic of each sample with LabSolutions Insight Profiler software confirmed that the resulting profiles reflected differences in raw materials and manufacturing methods.&nbsp;</p><p>LabSolutions Insight Profiler enables efficient non-targeted analysis by processing LC-QTOFMS data with an intuitive workflow. This workflow allows for objective evaluation of the taste, quality, and nutritional value of food products. Furthermore, this method is applicable not only to the analysis of compounds in beverages but also to non-targeted analysis of other types of samples.</p><h3><strong>4. Thermo Fisher Scientific / ASMS: High throughput targeted proteomic workflows with Adaptive Retention Time on the </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1959"><strong>Orbitrap Astral Zoom MS</strong></a></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_004699_lsms_art_astral_zoom_proteomics_po004699_asms2026_na_en_78767efdc9.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Advances in MS instrumentation have accelerated the identification of biomarkers, but validating and translating these discoveries into assays for clinical use remains challenging and typically requires robust and accurate targeted approaches. While these often rely on predetermined reference target retention time (RT) windows, analytical column degradation or replacement, aging solvents, sample matrix effects, etc. can cause peptide RT shifts between injections and across longer-term analyses. To accommodate this, targeted MS experiments generally schedule wide target RT windows (&gt;1 min) or rely on heavy labeled peptides to trigger acquisition of endogenous peptides. Both greatly limit the number of quantifiable targets per assay. To overcome this, we utilize adaptive RT (aRT) alignment for live correction of RTs together with the speed and sensitivity of the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1959"><strong>Orbitrap Astral Zoom MS</strong></a>. This allows reproducible tracking of &gt;2000 targets with narrow RT windows, high throughputs, such as 300 samples per day (SPD), and hybrid workflows combining targeting, of up to 1000 targets, and discovery.</p><h4><strong>Materials and methods&nbsp;</strong></h4><h5><strong>LC-MS Experiments&nbsp;</strong></h5><p>Experiments were performed using Thermo Scientific Pierce HeLa protein digest resuspended in 0.1% TFA, or individual or pooled human plasma samples. Peptides were separated using a 15 cm Thermo Scientific PepMap analytical columns (150 µm inner diameter) and the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/398"><strong>Thermo Scientific Vanquish Neo UHPLC system</strong></a> at throughputs of 60 or 300 SPD. The liquid chromatography (LC) system was interfaced with the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1959"><strong>Orbitrap Astral Zoom MS.</strong></a> Reference runs using MS1 and/or data-independent-acquisition (DIA) scans were acquired to obtain reference aRT spectra, and to determine target RTs. For aRT alignment, methods consisting of aRT MS1 and/or DIA scans, as well as targeted MS2 scans with RT correction were optimized. For hybrid DIA workflows, we used aRT MS1 scans for reference acquisition and alignment, combined with narrow window DIA and a targeted MS2 experiment. Observed RT shifts were caused by natural column degradation, sample matrix effects or when indicated induced by variation in gradient flow rate and buffer composition.&nbsp;</p><h5><strong>Data analysis&nbsp;</strong></h5><p>Reference DIA data was analyzed using Spectronaut. Targets lists were then generated from the search output by selecting varying number of targets evenly distributed across the RT dimension. Target RTs for smaller scale assays were manually validated and exported from Skyline, while target RTs for large scale assays were exported from Spectronaut. For alignment runs, DIA and PRM data were analyzed using Spectronaut and Skyline respectively.</p><h4><strong>Conclusions&nbsp;</strong></h4><ul><li>Adaptive RT alignment on Orbitrap Astral Zoom MS shows robustness against various sources of RT shifts and has high target recovery even for thousands of targets&nbsp;</li><li>aRT enables the use of target acquisition windows &lt;15 s for robust targeting at high throughput&nbsp;</li><li>aRT Hybrid DIA allows targeting of up to 1000 targets with minimal cost to DIA depth</li></ul><h3><strong>5. Waters Corporation / ASMS: BOOSTING SENSITIVITY IN TOP-DOWN PROTEIN STUDIES USING CYCLIC IMS-ENABLED WIDEBAND ENHANCEMENT</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009471_51f2e8b546.pdf"><strong>Full PDF for download</strong></a></li></ul><div><div><section><div><div><div><div><div><div><p>The poster evaluates <strong>Wideband Enhancement (WBE)</strong> as a way to improve sensitivity in top-down protein mass spectrometry. In top-down workflows, intact proteins are fragmented directly, but the signal is distributed across multiple charge states, isotope envelopes, and numerous product ions, which can limit MS/MS sensitivity. WBE addresses this problem by synchronizing ion packets leaving the ion mobility region with the time-of-flight pusher, thereby increasing the number of ions that reach the detector within a selected <i>m/z</i> range.</p><p>Experiments were performed using a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2434"><strong>Waters Cyclic IMS P20 Mass Spectrometer</strong></a> equipped with an <strong>electron capture dissociation cell</strong>. Samples were introduced by direct infusion in positive electrospray ionization mode. Two proteins were studied under denaturing conditions: bovine ubiquitin, approximately 8.5 kDa, and bovine carbonic anhydrase II, approximately 29 kDa. Single-pass and bypass ion mobility measurements were carried out with and without WBE, using both <strong>collision-induced dissociation (CID)</strong> and <strong>electron capture dissociation (ECD)</strong>. Data were acquired in <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/635"><strong>MassLynx</strong></a><strong> v4.2</strong> and processed using <strong>DriftScope</strong> and the <strong>waters_connect UNIFI peptide-mapping workflow</strong>.</p><p>For ubiquitin, WBE substantially increased the intensity of CID- and ECD-derived fragment ions. Improvements of up to tenfold were observed across the c- and z-ion series, while bypass ion mobility mode produced the largest overall sensitivity gain. The results indicate that WBE can enhance fragment detection while retaining the benefits of cyclic ion mobility separation and without sacrificing mass-spectral resolution.</p><p>The larger carbonic anhydrase II protein also showed marked improvements. CID fragment signals increased by up to tenfold for lower-<i>m/z</i> ions and about eightfold for higher-<i>m/z</i> fragments. Because ECD is generally less efficient than CID, the benefit of WBE was especially evident in ECD experiments: sequence coverage increased from <strong>54% without WBE to 70% with WBE</strong> in bypass mode. The authors conclude that combining WBE with complementary CID and ECD fragmentation on the Cyclic IMS P20 enables more sensitive and comprehensive top-down protein characterization.</p></div></div></div></div></div></div></section></div></div>

News from LabRulezLCMS Library - Week 33, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 17th August 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Shimadzu </strong>and <strong>Waters Corporation</strong>, brochure by<strong> Thermo Fisher Scientific </strong>and poster by<strong> MDCW / Arizona State University!</strong></p><h3><strong>1. MDCW / Arizona State University: Identifying Non-Biological Variance in Untargeted Analysis in Breath VOCs</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_8_Zabin_7786c8003b.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>When performing untargeted analyses for breath biomarker discovery, the goal is to identify biological signals in the breath chemistry that can help detect disease states, probe microbial interactions, and track environmental exposures. However, untargeted metabolomics and downstream data analysis workflows are vulnerable to signal contamination by non-biological variance associated with sample collection and handling and instrumental drift, which can obscure meaningful biological patterns.&nbsp;</p><h4><strong>Objective/Aims</strong></h4><p>The goal of this study is to identify and quantify non-biological variance in untargeted volatile metabolomics arising from sample collection procedures and instrumental drift.</p><h4><strong>Methods</strong></h4><p>Breath samples were collected and transferred onto Thermal Desorption Tubes (TDTs) in technical duplicates. TDTs were stored at 4˚C and analyzed using two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (<a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/37"><strong>GC×GC– TOFMS</strong></a>).</p><h4><strong>Conclusions</strong></h4><p>Instrument drift and other non-biological factors can strongly affect metabolomics data. Consistent, timedependent patterns of dissimilarity highlight the need to identify and control these sources of variance to ensure reliable biomarker discovery.</p><h3><strong>2. Shimadzu: Analysis of Volatile PFAS in Textiles Using </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8040+RX"><strong>GCMS-TQ8040 RX</strong></a><strong> with MMI</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01257_en_beb993613a.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>User benefits</strong></h4><ul><li>Using the GCMS-TQ8040 RX and the Multi-Mode Injection Unit (MMI), 12 volatile PFAS including compounds listed in EN 17681-2,<br>can be analyzed at the ppb level without preconcentration.</li><li>The spike recovery test shows good percentage recoveries of all compounds (80–120 %) that are at or below the EU Persistent<br>Organic Pollutants (POPs) threshold limit (25 ppb)</li></ul><p>Per- and polyfluoroalkyl substances (PFAS) are used in textile products because of their useful properties, such as heat resistance and water repellency. However, PFAS are also extremely stable substances that resist degradation and accumulate in the environment, which has led to concerns about their effects on humans. Since eliminating sources of PFAS is essential to prevent them from accumulating in the environment and in living organisms, many countries are passing laws that restrict the production, distribution, and use of PFAS in products. For example, the EU POPs Regulation sets a permitted threshold of up to 0.025 mg/kg (25 ppb) for certain PFAS (including PFOA, PFOS, and PFHxS) in substances, mixtures, or articles1) . EN 17681 defines standard test methods for PFAS analysis in textiles2),3) .&nbsp;</p><p>In a previous <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_01108_en_e04fe25939.pdf"><strong>Application News, No. 01-01108</strong></a>, an example of analyzing volatile and nonvolatile PFAS in textiles using LC/MS/MS and GC/MS/MS based on this standard was introduced. This study shows an example of trace analysis of volatile PFAS (Table1) in textiles using the newly developed GCMS-TQ RX series equipped with the Multi-Mode Injection Unit (MMI).</p><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=GCMS-TQ8040+RX"><strong>GCMS-TQ8040 RX&nbsp;</strong></a></h4><p>Delivering highly sensitive multi-component simultaneous analysis, the system improves operational efficiency through Analytical Intelligence , while also providing performance as a single GC-MS. The GCMS-TQ RX Series is a versatile triple quadrupole GC-MS that demonstrates high performance across a wide range of application fields. By combining it with the newly developed Multi-Mode Injection Unit (MMI), multiple injection methods are supported and analytical capability is further expanded.</p><h4><strong>Multi-Mode Injection Unit (MMI)&nbsp;</strong></h4><p>The Multi-Mode Injection Unit (MMI) supports a wide range of injection modes in a single unit, including split/splitless (SPL), programmable temperature vaporization (PTV), large-volume injection (LVI), direct injection, and thermal desorption/extraction (TD/TE). Dedicated software with an intuitive user interface enables easy method creation and seamless method transfer, simplifying analytical workflows. In this Application News, use of the MMI enables a threefold increase the injection volume compared with conventional injection methods, while maintaining peak shape.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>Using the GCMS-TQ8040 RX and the MMI, volatile PFAS in textiles were analyzed. The results showed that all compounds measured in this study could be analyzed at 25 ppb or below. Furthermore, in the spike recovery test at the EU POPs regulatory limit of 25 ppb, recoveries were within 80 to 120 % for all compounds, showing good results. By increasing the injection volume with the MMI, trace levels of volatile PFAS can be measured even with the standard GCMS-TQ8040 RX model.</p><h3><strong>3. Thermo Fisher Scientific: Increase manufacturing productivity with handheld Raman analyzers</strong></h3><ul><li>Product specification</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/tsg3_product_spec_en_c5faf63c57.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Raw material ID testing for pharmaceutical and biotechnology manufacturing quality control processes requires speed, ease and efficiency to maintain continuous manufacturing. Samples are often brought to a quality control lab for testing, increasing costs and decreasing productivity. The Thermo Scientific™ TruScan™ G3 Handheld Raman Analyzer enables non-technical operators to rapidly perform raw material ID testing without the need of a lab, bringing lab-quality performance and results to any setting, whether that be a warehouse or loading dock.&nbsp;</p><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=3&amp;search=TruScan+G3"><strong>TruScan G3 Handheld Raman Analyzer</strong></a> uses lab-proven Raman spectroscopy to perform rapid material identification at the point of need to decrease sampling costs and increase inventory turns. Designed for intuitive operation, its non-destructive point-and-shoot sampling principle facilitates rapid verification of a broad range of chemical compounds through sealed packaging to minimize the risk of contamination and exposure.&nbsp;</p><p>The TruScan G3 Handheld Raman Analyzer is built with a state-of-the-art optical platform paired with a field-proven embedded chemometrics engine. Our patented, multivariate residual analysis offers the most effective chemometric solution for material identification – with two spectral pre-processing options, that are easy to operate in challenging environments and sampling conditions.</p><h4><strong>Key features&nbsp;</strong></h4><ul><li>Non-destructive, point and shoot sampling through plastic bags, glass containers, blister packs and clear gel caps&nbsp;</li><li>Optional immersion probe for in-situ analysis and ergonomic comfort</li><li>Backwards compatibility with TruScan RM Handheld Raman Analyzer validated methods, makes TruScan G3 Handheld Raman Analyzer deployment a quick method transfer for a near seamless experience&nbsp;</li><li>A secured method for transferring of data via WIFI or wired connection for peace of mind&nbsp;</li><li>No frequent hardware maintenance nor consumables to operate are required&nbsp;</li><li>Digital data sign-off enhances 21 CFR Part 11 compliance&nbsp;</li></ul><h4><strong>Applications&nbsp;</strong></h4><ul><li>Incoming raw, in-process, or finished material identity verification&nbsp;</li><li>Identity check prior to dispensing of materials during manufacturing&nbsp;</li><li>Field or laboratory counterfeit drug identification</li></ul><h3><strong>4. Waters Corporation: Extending PFAS Analytical Workflows with APGC-MS/MS Analysis: A Method for 35 GC-Amenable PFAS Compounds</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009500_en_4b615b3bc2.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Benefits&nbsp;</strong></h4><ul><li>An APGC-MS/MS method for the analysis of 35 GC-amenable PFAS allowing for characterization of PFAS samples beyond the suite of commonly targeted LC-MS/MS compounds, for a more complete assessment of PFAS burden</li><li>Injection of samples already extracted for LC-MS/MS analysis is possible without having to perform solvent exchange, saving time and labor &nbsp;</li><li>Sensitive and robust analysis to detect trace levels of PFAS in samples</li></ul><p>Routine PFAS analysis most commonly utilizes liquid chromatography (LC) as the separation technique and is the basis for most standardized methods that are currently available. While this is a key technique in the analysis of PFAS, there are classes of volatile and semi-volatile PFAS that do not chromatograph well using LC and require the use of gas chromatography (GC) to be successfully analyzed. Classes of PFAS that favor GC analysis include, but are not limited to, fluorotelomer alcohols (FTOH), fluorotelomer acrylates (FTAcr), fluorotelomer methacrylates (FTMAC), and fluorotelomer acetates (FTOAc). Additionally, there are classes that can be analyzed using both LC and GC techniques, including sulfonamides (PFSA) and sulfonamidoethanols (PFSE).&nbsp;</p><p>All of these compounds are considered precursor compounds that terminally transform into the most widely studied PFAS, perfluoroalkyl carboxylates (PFCA) and perfluoroalkyl sulfonates (PFSA). Not only are they precursors in the synthesis of PFCA and PFSA end products, they are also intentionally used in products such as food packaging and textiles to impart grease and water proofing qualities.&nbsp;</p><p>These precursor compounds are also discharged into the environment through similar routes as their end products (landfills, manufacturing waste, firefighting foams, etc), but also through volatilization, transport and deposition through the atmosphere either in the gas phase or bound to particulates. Like most PFAS, not much is known about the human toxicity of these particular PFAS, although some animal and in vitro studies do point to similar health effects as more commonly studied PFCAs and PFSAs, including liver and kidney toxicity, endocrine disruption and negative immune effects.1-4 Furthermore, their ability to transform in the environment to PFCAs and PFSAs, which are known to have toxic health implications, make them of concern.&nbsp;</p><p>GC-MS/MS analysis for the volatile and semi-volatile GC amenable PFAS provides an additional tool in the workflow of PFAS sample analysis, increasing the comprehensiveness of sample characterization. In this application note, the development of an atmospheric pressure gas chromatography (APGC) coupled to tandem quadrupole mass spectrometry (MS/MS) method will be presented. Application of this method to authentic samples will be explored in a companion application note.</p><h4><strong>Experimental</strong></h4><ul><li><strong>GC system:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890&nbsp;</strong></a></li><li><strong>Autosampler:</strong> <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=7693A"><strong>7693A ALS</strong></a></li><li><strong>MS system:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/554"><strong>Xevo™ TQ Absolute Mass Spectrometer&nbsp;</strong></a></li><li><strong>Ionization mode:</strong> API+</li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>An optimized APGC-MS/MS method for the analysis of 35 GC amenable PFAS has been presented, providing a practical way to extend existing workflows with sensitive and accurate analysis for fluorotelomer alcohols, acrylates, methacrylates, acetates, sulfonamides and sulfonamidoethanols. This approach could integrate seamlessly with existing LC-MS/MS workflows, allowing labs to extend compound coverage without requiring changes to established sample preparation protocols. Performance for all compounds was found to be optimal with the use of a siltek deactivated inlet liner and a 30 m x 0.25 mm ID, 0.50 µm Rtx-200 column. This configuration allows for the injection of samples pre-extracted for LC-MS/MS analysis that are in mainly methanol and water, allowing labs to generate additional insights without increasing sample prep burden. Method LLOQs ranged from 0.005 – 5.0 ng/mL, with most compounds being below 0.10 ng/mL, delivering robust performance across compound classes, indicating the method can be used for trace level applications. Overall, APGC-MS/MS adds a complementary capability to LC-MS/MS methods, allowing labs to comprehensively assess PFAS contamination for better understanding and informed regulatory or product safety decisions. Further application notes will demonstrate the use of this method in environmental and food packaging samples, highlighting how labs can gain more complete PFAS insights while leveraging existing workflows.</p></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 34, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 17th August 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, Thermo Fisher Scientific / ASMS </strong>and<strong> Shimadzu / ASMS </strong>and application note by<strong> Waters Corporation!</strong></p><h3><strong>1. Agilent Technologies / ASMS: Quantitation of N-Nitroso Duloxetine N-Nitrosamine Drug Substance Related Impurities (NDSRI) in API and Formulation by 6475 LC/TQ</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_drug_impurities_lc_tq_tp_402_asms_2026_en_agilent_b933b9bddf.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Nitrosamine impurities are nitroso derivatives where the nitroso group is attached to an amine. The active pharmaceutical ingredient (API) derived from a class of nitrosamines are known as N-nitrosamine drugsubstance-related impurities (NDSRI). Nitrosamine impurities in APIs and drug products pose safety concerns, even in small quantities, and thus are a major concern for drug makers [1].&nbsp;</p><p>Analytical methods must be sufficiently sensitive to quantify the nitrosamine of interest at levels as low as 10% of the specification limit and, where feasible, down to ≤5% of the specification limit, for the determination of the limit of detection. LC/MS/MS is an inherently selective and highly sensitive analytical technique that is well suited for the identification and quantification of trace-level impurities at extremely low concentrations. Consequently, LC/MS/MS has been widely adopted within the pharmaceutical industry, particularly for nitrosamine analysis [2-3].&nbsp;</p><p>Therefore, manufacturers must develop and qualify a dedicated analytical method that is appropriate for the specific sample matrix and targeted NDSRIs. An LC/MS/MS method based on multiple reaction monitoring (MRM) was developed for the detection and quantification of the N-nitroso duloxetine NDSRI impurity over a concentration range of 0.5 to 40 ppb (absolute standard concentration), using an atmospheric pressure chemical ionization (APCI) source on an Agilent 6475A LC/TQ instrument.</p><h4><strong>Experimental</strong></h4><ul><li><strong>MS:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=6475"><strong>6475 Triple Quadrupole LC/MS System</strong></a></li><li><strong>Column:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=10&amp;search=Poroshell+HPH+C18"><strong>Poroshell HPH C18</strong></a> (4.6*150mm, 2.7µm)</li></ul><h4><strong>Conclusions</strong></h4><ul><li>A highly sensitive and robust MRM LC/MS/MS method was developed for the quantitation of N-nitroso duloxetine in duloxetine hydrochloride API and finished formulation using the Agilent 6475A LC/TQ.&nbsp;</li><li>The optimized chromatographic conditions provided effective separation of the analyte from the API, placebo, and formulation matrices, ensuring reliable quantitation.&nbsp;</li><li>The calibration curve was linear over the concentration range of 0.5-40 ng/mL, with 1/x weighting. R and R2 values were observed for both to be greater than 0.99.&nbsp;</li><li>Recovery studies demonstrated efficient sample extraction, with recoveries ranging from 92-99% in API samples and 109-116% in pellet formulations at the LOQ, specification, and 200% specification levels.&nbsp;</li><li>The method also showed excellent reproducibility across all evaluated concentration levels, confirming its suitability for routine analysis.</li></ul><h3><strong>2. Shimadzu / ASMS: Non-Targeted Analysis of Per- and Polyfluoroalkyl Substances in Environmental Extracts by Microflow LC-QToF Coupled with Multi-spray ESI</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/TP_562_Non_Targeted_Analysis_of_Per_and_Polyfluoroalkyl_Substances_in_Environmental_Extracts_by_Microflow_LC_Q_To_F_Coupled_with_Multi_spray_ESI_c2a7e1d5bf.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Targeted screening methods are well established for monitoring Perand polyfluoroalkyl substances (PFAS) in environmental samples. However, PFAS comprise a large and evolving class of compounds, creating a need to screen existing, emerging, and transformation products across diverse matrices. Non-targeted Analysis (NTA) allows for the confirmation of suspected PFAS in the environment, but the sample characterization is often limited by analytical sensitivity. Microflow (0.5 – 40 µL/min) coupled with a multi-nozzle emitter enhances sensitivity by improving desolvation. When this is coupled to a high mass accuracy and resolution Quadrupole Time-ofFlight Mass Spectrometer (QToF), capable of data-dependent and independent MS/MS, PFAS characterization of unknown analytes is possible. In this study, various environmental extracts were processed and screened using NTA for PFAS compounds.</p><h4><strong>Methods</strong></h4><p>A <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexera+Mikros"><strong>Shimadzu Nexera Mikros LC</strong> </a>was used to introduce the sample to a Newomics DuoESI source with an M3 emitter on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library?mainauthorItems=1&amp;search=9050"><strong>LCMS-9050 QToF MS</strong></a> (Fig. 1). A direct injection on an octadecyl column without delay column was performed. Direct injection was chosen over trapand-elute configuration to minimize selectivity bias caused by the trap column.&nbsp;</p><h4><strong>Conclusion</strong></h4><p>With the increased sensitivity of microflow LC-QToF coupled with multi-spray ESI with DIA acquisition, Insight Explore aided in NTA PFAS analysis. When paired with Insight Discovery and Profiler, a streamlined batch data processing workflow with statistical analysis was shown to effectively handle complex environmental matrices and their analyses.</p><h3><strong>3. Thermo Fisher Scientific / ASMS: Robust and sensitive quantitation of 18 steroids in human serum using Thermo Scientific TSQ Certis Triple Quadrupole mass spectrometer</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_004707_lsms_18_steroids_tsq_certis_clinical_po004707_asms2026_na_en_244c52437b.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Accurate quantification of endogenous steroids in human serum is essential for biomonitoring physiological functions such as hormone regulation, reproduction, and immune response in clinical research laboratories. Liquid chromatography–tandem mass spectrometry (LC–MS/MS) is the gold standard for steroid analysis due to its superior sensitivity, selectivity, and multiplexing capability compared to immunoassays. However, steroid measurements remain challenging because of low endogenous concentrations and complex serum matrices. Here, we describe a robust and sensitive LC–MS/MS method for the simultaneous quantification of 18 steroids in human serum using the Thermo Scientific TSQ Certis triple quadrupole mass spectrometer (Figure 1). The method leverages advanced ion source design and fast acquisition to deliver enhanced sensitivity, stability and throughput suitable for high-volume laboratory workflows.</p><h4><strong>Materials and methods</strong></h4><h5><strong>Liquid chromatograph – mass spectrometry&nbsp;</strong></h5><p>Samples were analyzed on a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/744"><strong>Thermo Scientific Vanquish Horizon UHPLC system</strong></a> coupled to the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2207"><strong>TSQ Certis MS</strong></a><strong> </strong>operated in selected reaction monitoring (SRM) mode. The mobile phase composition, analytical column details, LC gradient, and overlaid extracted ion chromatograms (EICs) are shown in Figure 3.&nbsp;</p><h5><strong>Data analysis&nbsp;</strong></h5><p>Data were acquired and processed using <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/77"><strong>Thermo Scientific TraceFinder software</strong></a> (v 5.2).</p><h4><strong>Conclusions&nbsp;</strong></h4><p>A sensitive and robust LC–MS/MS method was developed for simultaneous quantification of 18 steroids in human serum using the Vanquish Horizon UHPLC and TSQ Certis MS with OptaMax Plus ion source. The method demonstrated excellent linearity, accuracy, and reproducibility across a wide dynamic range. Optimization of MS conditions, particularly vaporizer temperature, significantly improved sensitivity. Overall, the workflow delivers high sensitivity, selectivity, and long-term stability, providing a reliable solution for high-throughput steroid analysis in clinical and research settings.</p><h3><strong>4. Waters Corporation: Alkaline-hydrolysis Method for PFAS in Textiles and Textiles Products by Xevo™ TQ-S micro with ACQUITY™ UPLC™ H-Class Plus System</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009443_en_0ab4914d72.pdf"><strong>Full PDF for download</strong></a></li></ul><div><div><section><div><div><div><div><div><div><h5><strong>Benefits&nbsp;</strong></h5><ul><li>Alkaline hydrolysis method (EN 17681-1:2025) used for preparing textiles, coated textiles and textile products for PFAS analysis allowed the inclusion of side-chain fluorinated polymers&nbsp;</li><li>Extraction method provided significant advantages in handling complex textile matrices by creating clear extracts free from dispersions, settleable solids and particulates&nbsp;</li><li>Protected the high-value LC-MS/MS components from potential damage&nbsp;</li><li>The method improved analytical sensitivity, reproducibility and accuracy, enabled cost-effective and timeefficient PFAS analysis maintained high analytical quality even for challenging high-matrix samples</li></ul><p>Many PFAS are linked to health concerns because of their ability to interfere with the body’s hormone systems, acting as endocrine disruptors also, linked to other toxic effects. Since textiles come into direct and prolonged contact with the skin, there is an increased risk of human exposure—especially for babies and children.4 In addition, PFAS pose significant environmental concerns. These “forever chemicals” do not readily break down and can be released during manufacturing, washing and disposal, allowing them to enter water pathways and persist in the environment. As a result, testing for PFAS has become increasingly important in the textile industry to demonstrate supply chain transparency, build consumer trust and protect brand reputation.</p><p>Synthetic fluorinated chemicals are categorized into two main groups - non-polymeric PFAS and polymeric PFAS, known for their use as water and grease repellent, heat resistant finishes in textiles, upholstery, leather, apparel, carpet and other industrial applications such as packaging, firefighting foams, non-stick cookware, etc. (Figure 1). PFAS are fluorinated substances contain at least one fully fluorinated methyl or methylene carbon atom (without any H/Cl/Br/I atom attached to it), i.e. with a few noted exceptions, any chemical with at least a perfluorinated methyl group or a perfluorinated methylene group.2 PFAS are classified as long chain and short chain based on their perfluorinated carbon chain length. Short chain fluorinated polymers encompasses a diverse range of chemistries, categorized according to their generic chemical and repeating units structures. Few examples are: derivatives of fluorotelomers, perfluoropolyethers with varying carbon chain lengths and acrylates, epoxylates, urethane, silicones of repeated units based structures.3 Polyfluoroalkyl substances such as fluorotelomer alcohols (FTOHs) contain C–H bonds, rendering them more susceptible to degradation. The ethoxylates in fluorotelomers-methacrylate break down to FTOH whereas polymeric fluorinated urethanes, acrylates break down to PFCAs (non-polymeric and polymeric side chain fluorinated polymers). In contrast, perfluoroalkyl substances such as PFOS and PFOA are extremely persistent due to their fully fluorinated carbon chains.&nbsp;</p><p>In alkaline hydrolysis methods, methanolic aqueous sodium hydroxide is used to break down precursor PFAS such as FTOHs, branched side chain PFAS. This process releases terminal perfluorinated carboxylic acids (PFCAs), which can then be measured. However, the efficiency of hydrolysis varies among different PFAS compounds and the presence of interfering substances such as organic matter or other chemicals in the sample matrix can inhibit the cleavage and detection of these analytes.</p><h4><strong>Experimental</strong></h4><ul><li><strong>LC system:</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/198"><strong>ACQUITY UPLC H-Class Plus System</strong></a> and SMFTN fitted with PFAS kit</li><li><strong>Column(s):</strong> <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1823"><strong>XBridge™ BEH™ C18 5 µm Column</strong></a>, 4.6 x 100 mm&nbsp;</li><li><strong>MS system: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/209"><strong>Xevo TQ-S micro Mass Spectrometer</strong></a></li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>By strictly following the critical steps of the alkaline hydrolysis method using methanolic aqueous sodium hydroxide (NaOH) both freely extractable PFAS and those previously bound within side-chain fluorinated polymers such as esters linked to fluorotelomer alcohols (n:2 FTOHs, where n = 4, 6, 8, 10, 12), can be effectively extracted. This approach also safeguards the LC-MS/MS instrumentation from blockages, damage, or contamination by preventing polymer accumulation and matrix interferences.&nbsp;</p><p>The analytical method using the ACQUITY UPLC H-Class Plus System and Xevo TQ-S micro LC-MS/MS System was found to be sensitive, reproducible and accurate, enabling cost-effective and time-efficient PFAS analysis in chemically processed textiles, coated textiles and textile products whilst maintaining high analytical quality even for challenging high-matrix samples.</p></div></div></div></div></div></div></section></div></div>

News from LabRulezLCMS Library - Week 34, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 24th August 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Shimadzu, Thermo Fisher Scientific </strong>and <strong>Waters Corporation </strong>and poster by<strong> MDCW / GC Image!</strong></p><h3><strong>1. MDCW / GC Image: Alignment and Filtering Tools for Enhanced Differencing of Two-Dimensional Chromatograms</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/P_21_Wu_3838638ea4.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><h5><strong>Challenges&nbsp;</strong></h5><p>Chromatogram-like visual differencing is intuitive, yet simple pixel-to-pixel subtraction often produces noisy artifacts, fails to correct retention-time shifts, and can obscure low-intensity but meaningful differences.&nbsp;</p><p>Previously, we developed comparative visualization methods [1] based on classic image-comparison techniques, including:&nbsp;</p><ul><li>Alignment with specialized color maps to visually highlight discrepancies between chromatograms&nbsp;</li><li>Interactive matching across two chromatograms [2], enabling both qualitative and quantitative side-by-side assessment at the individual-peak level&nbsp;</li></ul><p>We extend this work by presenting a more robust chromatogram differencing visualization method designed to overcome these limitations</p><h4><strong>Example 1: Alignment for Data Fusion (FID vs MS)&nbsp;</strong></h4><ul><li><strong>Data Set:</strong> GCxGC data of a diesel fuel sample&nbsp;</li><li><strong>Instruments:</strong> <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=7890A"><strong>Agilent 7890A GC</strong></a>/InfoMass L10 thermal modulator/Hexin TOFMS<ul><li><strong>Detectors:</strong> FID (350 C, 200 Hz), MS (45-450 m/z, 50 Hz)&nbsp;</li><li><strong>Modulation:</strong> 6 seconds with programmable cold jet gas flow (15L/min to 6 L/min)</li></ul></li></ul><h4><strong>Example 2: Differencing (GC×GC-MS)&nbsp;</strong></h4><ul><li><strong>Data Set: </strong>GCxGC-TOFMS data set of different dark chocolates [3].</li><li><strong>Instruments: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=23&amp;search=AccuTof"><strong>JEOL AccuTof GC mass spectrometer</strong></a> with an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=7890"><strong>Agilent 7890 GC</strong></a></li></ul><h4><strong>Example 3: Differencing with BPC (LC×LC-MS)&nbsp;</strong></h4><ul><li><strong>Data Set:</strong> LCxLC-MS data of different types of beer [4].&nbsp;</li><li><strong>Instruments: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=10&amp;search=1290+infinity+2D-LC"><strong>Agilent 1290 Infinity 2D-LC</strong></a> solution coupled with an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=10&amp;search=6530"><strong>Agilent 6530 Accurate-Mass Q-TOF LC/MS system</strong></a></li></ul><h3><strong>2. Shimadzu: Comprehensive and High-Sensitivity Analysis of Food Aroma by Simultaneous Scan/MRM Measurement Using Triple Quadrupole GC-MS/MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_01_01269_en_657ee319e0.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>User benefits</strong></h4><ul><li>Simultaneous scan/MRM measurement enables comprehensive search by scan measurement and high-sensitivity analysis of trace aroma compounds by MRM in a single measurement.&nbsp;</li><li>With LabSolutions Insight Explore GCMS, deconvolution analysis of scan data and target analysis of MRM data are possible in a single software program.&nbsp;</li><li>The Multi-Mode Injection Unit (MMI), which allows rapid heating, supports aroma analysis in the thermal desorption (TD) mode</li></ul><p>The “aroma” of food products and beverages is a key factor that largely determines product quality and consumer preferences, and thus is an extremely important element in product development and quality control. Since the gas chromatograph mass spectrometer (GC-MS) provides excellent performance in qualitative analysis of volatile compounds, it is used to measure various aroma components that make up an odor. However, due to the diversity of aroma compounds and their wide concentration range, which extends from the ppm to the ppt order, an analytical method that allows efficient measurement of these substances is demanded.&nbsp;</p><p>Non-targeted analysis by scan measurement is an effective tool for comprehensive profiling, but in many cases, it is difficult to identify the trace components that make a significant contribution to aroma due to the limits of instrument sensitivity and matrix interference. On the other hand, although widetarget analysis by the MRM (Multiple Reaction Monitoring) mode using GC-MS/MS offers high sensitivity and selectivity for several hundred target components, MRM lacks a search capability for unknown components.</p><p>Therefore, this Application News article reports a technique that satisfies both comprehensive non-targeted search and highsensitivity detection of trace components in a single analysis by combining the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=8040+RX"><strong>GCMS-TQ 8040 RX</strong></a>, which supports simultaneous data acquisition in simultaneous multi-component analysis measurements by scan measurement and the MRM mode, and the Smart Aroma Database for use in aroma analysis. In addition, in this experiment, the thermal desorption (TD) mode of the Multi-Mode Injection Unit (MMI) was adopted for sample introduction. This enablesintroduction of componentstapped on the adsorbent without using a dedicated TD device, thereby achieving a simplified system configuration.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>This Application News article showed that it is possible to achieve both a comprehensive non-targeted analysis of food aroma and a high-sensitivity wide-target analysis of trace components in a single analysis, without carrying out complicated operations, by simultaneous scan/MRM measurement combining the GCMSTQ8040 RX and the Smart Aroma Database. This article also demonstrated that use of the Multi-Mode Injection Unit (MMI) enables measurements in the thermal desorption (TD) mode without using dedicated TD instrumentation, and also allows a flexible response in case of budgetary or installation space limitations. A comprehensive aroma evaluation based on this approach will facilitate the discovery of important aroma components that were easily overlooked in the past, and is expected to make important contributions to product development and quality control in the food and beverage industries.</p><h3><strong>3. Thermo Fisher Scientific: Implementing EPA OTM-50 for PFAS destruction monitoring by TD-GC-MS/MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_004773_gc_td_gc_ms_epa_otm_50_pfas_an04773_na_en_99fd5fc528.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Per- and polyfluoroalkyl substances are used across a broad range of industrial and consumer applications. As PFAS-containing materials are treated or destroyed, incomplete decomposition can generate volatile fluorinated compounds, including short-chain and ultra-volatile species. These volatile compounds are important because they may provide evidence of incomplete mineralization once emitted from stationary sources.</p><p>EPA OTM-50 was developed to provide a consistent approach for collecting and quantitatively analyzing target VFCs from emissions originating from known industrial products with incomplete thermal destruction. The EPA method uses passivated stainlesssteel canisters followed by GC-MS analysis and is applicable to gas samples collected from industrial source ducts, vents, stacks, and related emission points.&nbsp;</p><p>The method is performance-based, allowing laboratories flexibility in GC column selection, GC conditions, and MS conditions, provided that GC-MS remains the basis for separation and quantitation and the required performance criteria are met. This flexibility is important because OTM-50 analytes span a challenging volatility range and may occur in complex matrices containing CO2 , water vapor, acid gases, and other volatile organic compounds.&nbsp;</p><p>Gas chromatography-based approaches are well suited to volatile and neutral fluorinated compounds. Thermal desorption enables preconcentration of trace-level analytes from air samples, improving sensitivity and enabling detection at relevant levels for environmental studies.&nbsp;</p><p>This application note describes implementation of EPA OTM-50 using cryogen-free thermal desorption coupled to triple quadrupole GC-MS/MS. The workflow addresses key analytical challenges: trapping ultra-volatile compounds such as CF4 , managing high levels of CO2 and humidity, achieving sub-ppbv sensitivity, and maintaining repeatable quantitative performance in support of PFAS destruction monitoring.</p><h4><strong>Experimental&nbsp;</strong></h4><h5><strong>Instrument configuration&nbsp;</strong></h5><p>The analytical system consisted of a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=6&amp;search=UNITY-Kori-CIA"><strong>Markes UNITY</strong></a><strong>-Kori-CIA Advantage HL-xr thermal desorption system</strong> coupled to a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/485"><strong>TSQ 9610 Triple Quadrupole GC-MS/MS</strong></a> equipped with a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=3&amp;search=nevervent"><strong>Thermo Scientific™ NeverVent™ AEI Ion Source</strong></a> (Figure 1). The Markes thermal desorber configuration included cryogen-free focusing, controlled canister introduction, and water and CO2 management strategies.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>This work demonstrates implementation of EPA OTM-50 using thermal desorption coupled to triple quadrupole GC-MS/MS for the analysis of volatile fluorinated compounds in air, with solutions helping to solve key analytical challenges for this type of analysis.&nbsp;</p><ul><li><strong>Alignment with EPA OTM-50 scope:</strong> supports canisterbased analysis of VFCs emitted from stationary sources, including compounds associated with incomplete PFAS destruction.&nbsp;</li><li><strong>Cryogen-free preconcentration:</strong> enables practical trapping and transfer of volatile analytes without reliance on liquid cryogens, reducing operational complexity.&nbsp;</li><li><strong>Improved selectivity through MS/MS: </strong>SRM acquisition on the TSQ 9610 Triple Quadrupole GC-MS/MS improves confidence in target identification and quantitation in complex emission matrices.&nbsp;</li><li><strong>Dual-method strategy for broad volatility coverage:</strong> separate sample volumes for CF4 and the remaining VFCs enable analysis across the challenging OTM-50 volatility range.&nbsp;</li><li><strong>CO2 and humidity management:</strong> controlled dilution, selective trap purging, and Kori-xr water management address two of the most significant matrix challenges in stationary source emissions.&nbsp;</li><li><strong>Robust quantitative performance: </strong>calibration across 0.1–100 ppbv (0.125–50 ppbv for CF4 ) showed R2 ≥ 0.998 for reported compounds or &lt; 20% RSD for Average Response Factor, with pptv MDLs and repeatability generally consistent with OTM-50 precision expectations.&nbsp;</li><li><strong>Industrial relevance: </strong>the workflow supports chemical manufacturing, PFAS treatment, and waste management facilities seeking defensible data to evaluate destruction efficiency and identify products of incomplete destruction.&nbsp;</li></ul><p>Overall, the combination of Markes thermal desorption technology with the Thermo Scientific TSQ 9610 Triple Quadrupole GC-MS/MS provides a practical, selective, and robust analytical approach for laboratories implementing EPA OTM-50 for volatile PFAS and VFC monitoring in air.</p><h3><strong>4. Waters Corporation: Analysis of Polybrominated Diphenyl Ether Flame Retardants in Environmental Matrices Using Atmospheric Pressure Chemical Ionization GC-MS/MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/720009524_en_58a948f96a.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Benefits&nbsp;</strong></h4><ul><li>The performance of atmospheric pressure gas chromatography (APGC ™) on Xevo™ TQ Absolute Mass Spectrometer for the analysis of PBDEs is equal-to or better-than traditional analysis using electron impact magnetic sector making it well suited for use in the most challenging regulatory and standard methods.</li><li>The ability of APGC to tolerate high carrier gas flow helps improve method performance for the most challenging members of this class inlcuding BDE 209 which reduces the need for maintenance and reanalysis of samples.</li><li>Operator training is reduced to weeks from months through conversion of the method from a magnetic sector to tandem quadrupole mass spectrometer.</li><li>Use of a single, inexpensive, readily available gas for chromatographic separation, ionization and MS/MS fragmentation provides a simpler, more sustainable system.</li></ul><p>With the 2001 signing of the Stockholm Convention, the stage was set for global harmonization of efforts to monitor for POPs in the environment.1 By 2004, when countries began implementing the convention, measures aimed at reducing or eliminating intentional and unintentional release of POPs into the environment were supported by annexes that defined the different chemical classes of highest interest which included PBDEs. To date, 185 states plus the European Union have joined in this effort which includes requirements for monitoring for POPs in multiple environmental matrices. Because the implications of unintentional or intentional noncompliance may be subject to enforcement action, high confidence data is needed to support surveillance and reporting efforts. Furthermore, high sensitivity analysis is required due to the possibility of steadily increasing trace levels of PBDEs across years of time through transport in the environment that tends to increase concentrations of persistent organic pollutants such as these in cooler Arctic regions of the globe through the grasshopper effect.2 These requirements initially led to the development of gas chromatography electron ionization high resolution magnetic sector based analytical methods. The performance of EI GC-HRMS in the hands of a well-trained operator and a lab with rigorous quality control procedures has proven to provide the sensitivity and specificity required of the forensic data used in legal actions, for compliance reporting and for providing the greatest protection to populations and the environment.&nbsp;</p><p>However, GC-HRMS has several limitations, including extensive education and training requirements, slow acquisition speeds, and significant laboratory space demands. In contrast, more modern techniques such as tandem quadrupole (TQ) mass spectrometry (MS/MS) offer broad improvements in these areas. Additionally, limitations imposed by EI such as frequent source maintenance and shortcomings caused by carrier gases other than helium hamper this time-honored technique. The more recent combination of APCI with TQ has demonstrated promise in overcoming these limitations while providing data of equivalent confidence to EI GCHRMS.&nbsp;</p><p>After having been deployed in many labs, GC-APCI has continued to contribute to the study of PBDEs in multiple matrices and applications. An evaluation of the first generation of GC-APCI MS/MS, analyzing PBDEs in marine and food samples, reported higher response for higher brominated (Br8-10) congeners than GC-EI-HRMS.3 Later work reported GC-APCI MS/MS LODs comparable or better than EI MS/MS for plasma extracts.4 Recent work reported on the use of GC-APCI HRMS (QTof) as part of the continuation of a 20 year study analyzing aquatic organisms to evaluate environmental PBDE trends.5 In this work, 24 PBDEs plus hexabromobiphenyl were analyzed on a XevoTM TQ Absolute Tandem Quadrupole Mass Spectrometer using the APGC ionization source.</p><h4><strong>Experimental</strong></h4><ul><li><strong>GC system: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=8890"><strong>8890 (Agilent Technologies, Inc.)&nbsp;</strong></a></li><li><strong>Column: </strong>Rtx®-1614, 15 m x 0.25 mm ID x 0.10 µm film (Restek Corporation)</li><li><strong>MS system: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/554"><strong>Xevo TQ Absolute Mass Spectrometer</strong></a></li><li><strong>Software: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1544"><strong>waters_connect™</strong></a> for Quantitation Software</li></ul><h4><strong>Conclusions&nbsp;</strong></h4><p>An all-nitrogen configuration for APGC on Xevo TQ Absolute Mass Spectrometer was successfully applied to the analysis of PBDEs in environmental matrices by adapting a reference method previously used on magnetic sector EI GC-HRMS. All performance criteria were equal-to or better-than those typically achieved by magnetic sector which demonstrates feasibility of GC-APCI MS/MS as an alternative for the most challenging regulatory and standard analytical methods. Furthermore, the change from a vacuum source to the atmospheric ionization source makes the use of high nitrogen carrier gas flow practical which has advantages for operating cost versus helium while achieving similar chromatographic separation and sensitivity. The move to tandem quadrupole mass spectrometry from high resolution mass spectrometry updates the method for improved performance measures such as higher acquisition speeds and high specificity MS/MS while also requiring reduced training time and expertise as compared with magnetic sectors.</p></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 35, 2026

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Everything from the world of analytical chemistry in one place. We connect people in solving their problems. At Labrulez you will find all the necessary information easily, quickly and clearly. Stop searching and start finding.

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European Symposium on Analytical Spectrometry (ESAS) 2026

2026 AOAC INTERNATIONAL Annual Meeting & Exposition

Shimadzu at 2026 AOAC Annual Meeting & Exposition

ICP-MS for Hybrid Photoelectrode Characterization

Modern Methods for Faster Microbial Analysis

Addressing LC Method Optimization - Scaling For Efficiency, Throughput And Reproducibility