News from LabRulezLCMS Library - Week 14, 2026

News from LabRulezLCMS Library - Week 20, 2026

News from LabRulezLCMS Library - Week 22, 2026

News from LabRulezLCMS Library - Week 23, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 22nd June 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 brochure by <strong>Agilent Technologies, </strong>application note<strong> </strong>by<strong> Shimadzu </strong>and posters by <strong>MDCW / William &amp; Mary </strong>and <strong>Waters Corporation / ASMS!</strong></p><h3><strong>1. Agilent Technologies: Operational efficiency for your GC and GC/MS labs with the </strong><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890B"><strong>Agilent 8890B gas chromatography system</strong></a></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/br_8890b_gc_5994_9205en_agilent_fb5db29527.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><h4><strong>Analyze more samples every day with faster cycle times&nbsp;</strong></h4><p>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890B"><strong>8890B GC </strong></a>provides faster maximum oven temperature ramps and cooldown rates for conventional dual-channel GC. If you want even faster cycle times, an optional rapid cooling fan is available.&nbsp;</p><h4><strong>Achieve excellent repeatability across multiple injections&nbsp;</strong></h4><p>Consistent retention time and area count performance are the cornerstone of what you can expect from the 8890B GC. The system also meets all specifications required for regulatory methods such as USP Method &lt;467&gt; (residual solvents).</p><h4><strong>Shine a new light on your connections and components&nbsp;</strong></h4><p>Make maintenance easier and faster with a built-in oven light that illuminates the internal space on the 8890B GC. That means you can perform tasks like troubleshooting and column installation in less time—and with fewer errors.</p><h4><strong>Boost GC performance with capillary flow technology&nbsp;</strong></h4><ul><li><strong>Backflush</strong> significantly reduces timing between injections, increasing productivity.&nbsp;</li><li><strong>Purged Ultimate unions</strong> provide leak-free connections, reducing downtime.&nbsp;</li><li><strong>Flow splitters</strong> enable data collection from up to three detectors.&nbsp;</li><li><strong>New CFT calculators</strong> let you download calculated setpoints to your method—avoiding time-consuming, error-prone manual input.&nbsp;</li><li><strong>Multidimensional chromatography:&nbsp;</strong><ul><li><strong>Deans Switch</strong> facilitates heart cutting, enabling resolution of trace compound in complex matrices.&nbsp;</li><li><strong>GC x GC flow modulation</strong> enables multidimensional chromatography without the need for cryogen</li></ul></li></ul><h4><strong>Helium conservation module&nbsp;</strong></h4><p>Extend the life of your helium tanks by up to 30 times. The Agilent helium conservation module allows you to use helium for your GC runs and switch to a different gas (typically nitrogen) when your GC is idle. That means you can achieve better control of laboratory operating expenses and avoid workflow disruptions.</p><h4><strong>Alternative carrier gas support&nbsp;</strong></h4><p>Alternative carrier gases like hydrogen and nitrogen are popular low-cost options.&nbsp;</p><p>The <strong>Agilent Hydrogen Sensor Module Series 2 </strong>option adds built-in peace of mind when operating with H2 gas.&nbsp;</p><p>The <strong>Agilent HydroInert source </strong>minimizes sensitivity loss and spectral anomalies associated with H2. It also:&nbsp;</p><ul><li>Maintains spectral fidelity, even for compounds highly susceptible to hydrogenation.&nbsp;</li><li>Improves peak shape for high-boilers, especially polycyclic aromatic hydrocarbons (PAHs)</li></ul><h3><strong>2. MDCW / William &amp; Mary: Decomposition Analysis Using Differing Data Processing Methods to Identify Volatile Organic Compounds</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/P_25_Weina_2ae94f0998.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>When a body decomposes it emits volatile organic compounds (VOCs). VOCs from decomposing remains have been studied before,1 however there is a gap that remains in the knowledge on VOCs that evolve from submerged decomposing remains. 2 In this study, submerged animal tissue was tested to see how the VOCs can be utilized in forensic settings.&nbsp;</p><p>This study used data obtained last summer using comprehensive two-dimensional gas chromatography – time-of-flight mass spectrometry (GC×GC-TOFMS). Pigs (Sus scrofa domesticus) are often used as analogs in decomposition studies due to similarities with humans. 3 In this study, pork belly samples were submerged in mason jars filled with water and stored at different temperatures. The GC×GC-TOFMS instrument was used to collect odor from above water samples for a period of twelve days.</p><p>GC×GC is often used to analyze complex odor profiles. When analyzing samples with GC×GC, there is a lack of standardization to process the data acquired from time trials. There is a need to discover effective ways to track VOCs for chemical identification and longitudinal analysis.</p><p>The goal of this research was to compare different software approaches to analyze GC×GC longitudinal data to achieve accurate analyte identification, representation of data over time, and effective class characterization.</p><h4><strong>Methods</strong></h4><p>For the first four days, 5 mL of water was taken and run on the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/37"><strong>GC×GC-TOFMS</strong></a>. Thereafter, the samples were sampled and run every three days until day twelve. Data were analyzed initially using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/41"><strong>ChromaTOF</strong></a> (LECO Corporation). The samples were then analyzed using <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/348"><strong>ChromaTOF Tile </strong></a>and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/1873"><strong>ChromaTOF Sync 2D</strong></a> to compare how they can be used in a forensic setting.</p><p>Peak tables were curated in Tile and Sync 2D. Then, ChromaTOF was used as a guide to confirm which peaks were identified correctly. If the compound was correctly identified, the peak would be accepted or kept on the table. If not correctly identified, the peak would either be rejected or deleted. Once the tables were complete from the different software approaches, they were exported to Excel for further comparison.</p><p>In excel, the relevant hits that were identified as decomposition VOCs were compared across the software approaches. The compounds that were most commonly found were compared to existing literature on decomposition VOCs. From there, two tables were built; where one table was compounds confirmed with literature and the other table was compounds not confirmed with literature.</p><p>Comparison between software approaches included looking at different criteria to see which method was the most effective and efficient. The criteria included how long the software approach took, the number of compounds found in each software approach, the accuracy of peak area in the software approach compared to ChromaTOF data, and principal component analysis (PCA) comparison to see which software approach was best used for forensic practice or research.</p><h4><strong>Conclusions</strong></h4><p>Sync 2D showed the capability of showing trends in decomposition compounds</p><ul><li>This software approach can be used in research environment where longitudinal data is needed to determine the trends of decomposition data&nbsp;</li><li>Best purpose: research applications requiring longitudinal tracking&nbsp;</li></ul><p>Coefficient of Variance’s and Fold Change’s PCA plots showed their ability for clear class differentiation&nbsp;</p><ul><li>The two software approaches can be used to distinguish water containing decomposition in a crime scene&nbsp;</li><li>Best purpose: comparison at a single point and time [detailed analysis]&nbsp;</li></ul><p>Fisher Ratio showed a proficiency in identifying top differentiating compounds and showed aptitude for class differentiation&nbsp;</p><ul><li>The software approach would be helpful for cursory analysis for crime scene evidence&nbsp;</li><li>Best purpose: quick comparison of biggest difference for swift identification</li></ul><h3><strong>3. Shimadzu: Determination of Ester and Linolenic Acid Methyl Ester Contents in Biodiesel According to EN 14103:2020</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_05_sca_180_054_en_93d1029b72.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=2060"><strong>NexisTM GC-2060</strong></a> provides reliable analysis of biodiesel samples regarding their ester and linolenic acid methyl ester contents using hydrogen as a cost-effective carrier gas&nbsp;</li><li>It delivers excellent repeatability and provides appropriate safety measures for the use of hydrogen as carrier gas&nbsp;</li><li>The optional multi-mode injection unit (MMI) offers performance equivalent to a conventional split-splitlessinjection unit (SPL), significantly reducing maintenance downtime</li></ul><p>Biofuels play an important role in enabling countriesto meet their greenhouse gas reduction targets. They can be produced from a range of raw materials, including plant oils, animal fats, and used cooking oils. Biodiesel is mainly being produced from rapeseed, soybean, and palm oils. Due to this diversity of feedstocks, continuous quality control is necessary as the quality of the raw material has an enormousimpact on the quality of the biodiesel.&nbsp;</p><p>The EN 14103:2020 describes the determination of total ester content and linolenic acid methyl ester content in biodiesel by means of gas chromatography with flame ionization detection (GC-FID). The total ester content covers a range of fatty acid methyl esters (FAME) from C6 to C24, and linolenic acid methyl ester is investigated separately as interfering reactive compound that might influence long-term stability of the biodiesel. According to the standard, the total ester content must be greater than 90 % (m/m) and the linolenic acid methyl ester content shall be between 1 and 15 % (m/m)1.</p><p>This study shows the analysis of biodiesel originating from rapeseed,soybean, and palm oil using the Nexis GC-2060.</p><h4><strong>Multi-Mode Injection Unit as Alternative&nbsp;</strong></h4><p>Shimadzu’s multi-mode injection unit (MMI) offers reliable splitsplitless mode functionality over a broad range of carbon numbers. It allows analysis of biodiesel samples with high repeatability and provides chromatographic results comparable to those measured with SPL as dedicated split-splitless injection unit. The use of MMI significantly shortens maintenance downtime from tens of minutes for a classical split-splitless injection unit to just a few minutes. Figure 3 gives a direct comparison of an exemplary rapeseed-based biodiesel sample measured with SPL (top) and MMI (bottom).</p><h4><strong>Conclusion</strong></h4><p><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=2060"><strong>Nexis GC-2060</strong></a> provides reliable analysis of biodiesel samples regarding their ester and linolenic acid methyl ester content according to EN 14103:2020, covering the various ester types commonly in use. It allows repeatable analysis using hydrogen as a cost-effective carrier gas. The optional multi-mode injection unit (MMI) can be selected as alternative to a classical splitsplitlessinjection unit (SPL).</p><h3><strong>4. Waters Corporation / ASMS: Putting the (Atmospheric) Pressure on Forever Chemicals: A Targeted Analysis of GC Amenable PFAS using APGC–MS/MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720009413_dfa4082b45.pdf"><strong>Full PDF for download</strong></a></li></ul><p>This poster presents a targeted analytical method for the determination of gas chromatography (GC)-amenable PFAS compounds using atmospheric pressure gas chromatography coupled with tandem mass spectrometry (APGC-MS/MS). The study addresses a key limitation of conventional LC-MS/MS methods, which are highly effective for many PFAS but less suitable for more volatile species such as fluorotelomer alcohols (FTOHs), fluorotelomer acrylates (FTAcr), and fluorotelomer acetates (FTOAc). By incorporating GC-MS/MS analysis, laboratories can obtain a more complete characterization of PFAS contamination across environmental, biological, and food-contact materials.</p><p>The analytical workflow utilized an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890 gas chromatograph</strong></a> equipped with an autosampler and coupled to a <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/554"><strong>Waters Xevo TQ Absolute tandem mass spectrometer</strong></a> operated with APGC ionization in positive-ion mode. Separation was performed on an Rtx-200 capillary column, while data acquisition and quantification were managed using <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1544"><strong>waters_connect software</strong></a>. Unlike traditional electron ionization (EI), APGC generated intact protonated molecular ions, significantly improving sensitivity and selectivity for GC-amenable PFAS. A method covering 35 PFAS compounds was developed, achieving lower limits of quantification (LLOQs) of 0.025–0.1 ng/mL for most analytes.</p><p>Several sample types were evaluated, including wastewater, surface water, soil, fish tissue, shrimp, and food-packaging materials. Environmental and biological samples were prepared according to EPA Method 1633A and had previously been analyzed by LC-MS/MS, allowing the GC-MS/MS method to serve as a complementary technique. Food-packaging samples were extracted with methanol containing ammonium hydroxide and analyzed for targeted PFAS. While no target PFAS were detected in the tested packaging materials, multiple GC-amenable PFAS were found in environmental samples. Fluorotelomer alcohols were the most frequently detected compounds, with wastewater and ski-wax-impacted soils showing the highest concentrations.</p><p>The results demonstrate that APGC-MS/MS provides a sensitive and robust solution for the analysis of volatile PFAS classes that may be missed by LC-MS/MS alone. The method delivered accurate quantification, effective chromatographic separation, and reliable recovery in spiked samples. The authors conclude that combining APGC-MS/MS with established LC-MS/MS workflows enables a more comprehensive assessment of PFAS contamination, particularly for emerging fluorotelomer compounds and other GC-amenable PFAS that are increasingly relevant in environmental monitoring and food-packaging investigations.</p></div></div></div></div></div></div></section></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 26, 2026

News from LabRulezLCMS Library - Week 26, 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

<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

News from LabRulezLCMS Library - Week 35, 2026

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2026 AOAC INTERNATIONAL Annual Meeting & Exposition

Bruker at the 7th European Symposium on Single Cell Proteomics

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