EU Regulation 396/2005: Pesticide Residue Testing and the Critical Role of QuEChERS Evaporation in Food Safety

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 4th May 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 note by<strong> Shimadzu, </strong>presentation by <strong>MDCW / JEOL</strong> and technical note by <strong>Thermo Fisher Scientific!</strong></p><h3><strong>1. MDCW / JEOL: Flow-Modulated GCxGC-QMS Analysis Without Splitting Off the GC Flow</strong></h3><ul><li>Presentation</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/O_16_Jensen_11e29d5022.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>This presentation by Kirk Jensen (JEOL USA) explores the feasibility of performing <strong>flow-modulated comprehensive two-dimensional gas chromatography (GC×GC) coupled with quadrupole mass spectrometry (QMS)</strong> without splitting the GC flow, which is traditionally required to protect MS systems from high carrier gas flows. The core concept builds on GC×GC, where compounds are separated using a primary and secondary column connected via a modulator, significantly increasing separation power compared to one-dimensional GC. The presentation contrasts <strong>thermal modulation</strong> (offering sharper peaks and higher theoretical sensitivity but requiring cryogenic cooling) with <strong>flow modulation</strong>, which avoids cryogens, handles volatile analytes well, and is more flexible, but typically demands higher gas flows that standard MS systems cannot tolerate .</p><p>To address this limitation, the study utilizes the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?manufacturerItems=24&amp;search=JMS-Q1600GC"><strong>JEOL JMS-Q1600GC</strong></a><strong> UltraQuad quadrupole GC-MS system</strong>, which can accept unusually high carrier gas flows (up to ~20 mL/min), enabling direct coupling with a <strong>SepSolve INSIGHT flow modulator</strong> without splitting the effluent . The analytical setup includes dual GC columns (e.g., Zebron ZB-5MSplus for the first dimension and BPX50 for the second), high secondary flow rates (~25 mL/min), and electron ionization (EI) MS detection. Additional system components include optional FID detection, bleed line control, and ChromeSpace software for data processing . This configuration allows full analyte transfer into the MS, eliminating the need for flow splitting and potentially improving detection efficiency.</p><p>Experimental results demonstrate the applicability of this approach to complex mixtures, including a <strong>pesticide mixture containing over 200 compounds</strong> and real-world samples such as perfumes and fuels. The GC×GC-MS system produced detailed two-dimensional chromatograms with high spectral quality, enabling the correct identification of approximately 120 compounds despite relatively moderate spectral match factors . Comparisons at different flow rates (e.g., 25 vs. 50 mL/min) showed that spectral integrity and compound identification remain robust, indicating that higher flow operation does not significantly compromise MS performance.</p><p>In conclusion, the work demonstrates that <strong>flow-modulated GC×GC-QMS without flow splitting is feasible</strong>, provided that the MS system can tolerate high carrier gas flows. While further optimization is needed (e.g., column selection, inlet pressure, and separation conditions), the approach offers a practical alternative to thermal modulation by eliminating cryogens and simplifying operation. Future work will focus on improving sensitivity, optimizing separations, and exploring alternative carrier gases such as hydrogen to reduce costs and expand applicability</p></div></div></div></div></div></div></section><h3><strong>2. Shimadzu: Detailed Hydrocarbon Analysis by Nexis GC-2030 Using ASTM D6730</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_00863_en_eb633bc741.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>Detailed compositional analysis of gasoline in accordance with ASTM D6730 is feasible using the Nexis GC-2030.&nbsp;</li><li>By employing PONAsolution, a PONA/DHA analysis software, laborious identification tasks can be reduced, and quantitation calculations and report generation can be performed automatically.</li></ul><p>ASTM D6730 specifies the analysis of hydrocarbons in gasoline and oxygenates such as ethanol, methyl tert-butyl ether (MTBE), and ethyl tert-butyl ether (ETBE) over a boiling point range up to 225 ̊C. Identification and quantification of individual compounds in gasoline are critically important for refinery process control and product quality assurance. In this application news, we report compositional analysis of gasoline conforming to ASTM D6730 using the <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=Nexis+GC-2030"><strong>Nexis GC-2030 gas chromatograph</strong></a>. Gasoline typically comprises over 100 hydrocarbons, making identification tasks highly complex; however, PONAsolution, a PONA/DHA analysissoftware,simplifies this process.</p><h4><strong>PONAsolution</strong></h4><p>PONAsolution Ver.6 provides retention index libraries for each relevant standard (ASTM D6730, D6729, D5134, D6733). Identification of n-alkanes automatically corrects the retention times of the remaining several hundred components, thus streamlining the identification process. When only a specific retention region requires adjustment, the two-point identification function is useful (Fig. 1). In the two-point identification procedure, reference and sample chromatograms are compared while assigning corresponding peaks. First, click on an identified component mark in the reference data (Fig. 1, a), then click the matching sample peak (Fig. 1, b). Repeat this for a second pair of peaks. The retention times of components between these two anchor points are then automatically corrected.</p><h4><strong>Conclusion</strong></h4><p>Compositional analysis of gasoline in accordance with ASTM D6730 was performed. The combination of SH PONA Tuning Column and SH-1 PONA main column enabled separation of compounds with closely spaced retention times. Moreover, use of PONAsolution software greatly simplifies complex identification tasks.</p><h3><strong>3. Thermo Fisher Scientific: Fiber optic probes add flexibility to Raman chemical analysis</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/drx3_flex_tech_note_tn54708_bebb56b870.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Fourier Transform Infrared Spectroscopy (FTIR) and Raman Spectroscopy are non-destructive analytical techniques that rely on the interaction of electromagnetic radiation with molecular vibrations to provide information about the chemical composition and structure of a sample. Despite their similarities, there are some distinct differences between the two techniques. In principle, FTIR is based on the absorption of infrared radiation by molecules and measures changes in dipole moment during molecular vibrations. Raman spectroscopy, on the other hand, is based on the inelastic scattering of monochromatic light and measures changes in polarizability during molecular vibrations.&nbsp;</p><p>When applied to bulk chemical analysis, both FTIR and Raman spectroscopy can be used to analyze solids, liquids, and gases, but the nature of Raman spectroscopy lends some unique sampling advantages. Additionally, Raman often requires little to no sample preparation. Presented herein are application examples that highlight some of the sampling advantages of Raman spectroscopy. All the spectral data in this technical note were collected using a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/products/2238"><strong>Thermo Scientific™ DXR3 Flex Raman Spectrometer</strong></a> equipped with a fiber optic probe. (Fiber optics are readily available for Raman spectroscopy because of the use of visible and NIR light and do not require the exotic materials associated with FTIR fiber optics.) Preliminary tests for all samples were carried out using both 532 nm and 785 nm excitations, and it was determined that the 785 nm laser set gave an overall better balance between fluorescence and Raman scattering efficiency.</p><h4><strong>Summary&nbsp;</strong></h4><p>In this technical note, the analyses of a variety of samples by Raman spectroscopy are demonstrated. All samples were analyzed without sample preparation.&nbsp;</p><ul><li>Precise and localized analysis at the focal point of the Raman-exciting laser allows sampling through glass bottles, blister packaging and plastic containers, which eliminates possible cross contamination and analyst exposure to hazardous materials. The contributions from the packaging and containers depend on the type of container material, the container thickness, and the materials’ chemical compositional complexity, but these contributions can be readily subtracted out when needed.&nbsp;</li><li>Water is a weak Raman scatterer. Raman therefore has reduced water sensitivity, making it a preferred technique for aqueous solution analysis over FTIR. As demonstrated in the analysis of an energy drink, the Raman bands from water can be subtracted from the spectrum of the aqueous solution, leading to the identification of the components of the solution.&nbsp;</li><li>Raman spectroscopy is well suited for the analysis of inorganic materials, especially in identifying the crystal phases and polymorphs, as demonstrated by the analyses of minerals and pigments in a painting.&nbsp;</li><li>Fiber optic probes provide flexibility and ease of maneuverability. This is particularly advantageous when analyzing samples that are difficult to access or manipulate, such as large containers, geological samples and paintings</li></ul><p>The DXR3 Flex has multiple sampling options available. A properly configured fiber-optic probe is arguably the most versatile accessory for the analysis of bulk solids and liquids. The advantages, both from those inherent to Raman spectroscopy and those resulting from the use of fiber optic probe, provide opportunities for a wide variety of different applications when using the DXR3 Flex Raman Spectrometer.</p>

News from LabRulezGCMS Library - Week 19, 2026

<p><strong>🎤Francis Femi Oloy</strong></p><p><strong>In this episode of Concentrating on Chromatography, David speaks with Francis Femi Oloy about using chromatography to uncover hidden pollutants in real-world water systems.</strong></p><p>Femi’s team analyzed polychlorinated biphenyls (PCBs) in six major rivers in southwestern Nigeria — compounds that were banned decades ago but still persist in the environment. Using a workflow that many analytical labs will recognize — liquid–liquid extraction, cleanup, rotary evaporation, nitrogen blowdown, and GC-ECD detection — they quantified 25 PCB congeners at trace levels and linked the results to ecological and human health risk.</p><h4><strong>In this conversation, we cover:</strong></h4><ul><li>Why legacy pollutants like PCBs still show up today</li><li>Choosing GC-ECD vs LC-MS for halogenated compounds</li><li>Liquid–liquid extraction and matrix cleanup strategies</li><li>Why sample concentration is critical for dilute environmental samples</li><li>How rotovap + nitrogen blowdown work together without losing volatile analytes</li><li>Seasonal trends (why wet season levels were higher)</li><li>Translating concentration data into meaningful risk assessments</li></ul><h3><strong>Video Transcription</strong></h3><section><div><div><div><div><div><div><p><strong>Persistent organic pollutants</strong> such as polychlorinated biphenyls (<strong>PCBs</strong>) remain a significant environmental concern despite decades of regulatory restrictions. In this interview, Francais Femi Oloy discusses the environmental and analytical challenges associated with monitoring PCB contamination in rivers of southwestern Nigeria, a rapidly industrializing region where urban growth, industrial activity, agriculture, and dense populations intersect with extensive aquatic systems.</p><p>Oloy explains that his interest in environmental contaminant analysis emerged from observing unexplained health problems and environmental degradation while growing up in Nigeria. This motivated his transition into organic and environmental chemistry, with a focus on identifying pollutants present in drinking water, agricultural soils, and food systems. Southwestern Nigeria, particularly the Lagos region, represents a critical environmental monitoring area due to intense industrial development, shipping activity, and widespread human dependence on rivers for domestic use, agriculture, and fishing.</p><p>Although PCBs are considered “<strong>legacy pollutants</strong>” and are no longer intentionally produced, the interview highlights why they continue to persist in aquatic environments. Old electrical transformers and aging industrial equipment still contain PCB residues, while historical contamination stored in river sediments can become remobilized during flooding, dredging, or sediment disturbance. Because PCBs are hydrophobic and resistant to degradation, they preferentially accumulate in sediments and bioaccumulate through aquatic food chains, creating long-term environmental and human exposure risks.</p><p>A major focus of the discussion centers on the analytical workflow used for PCB determination in environmental water samples. Composite river water samples were collected in amber glass bottles to avoid contamination and photodegradation, preserved with sodium azide to minimize microbial activity, and stored under cooled conditions prior to extraction. The analytical protocol employed <strong>liquid–liquid extraction</strong> using dichloromethane (DCM) and hexane to recover both polar and nonpolar PCB congeners. Oloy emphasizes that liquid–liquid extraction was selected over solid-phase extraction (SPE) because of concerns about congener retention within sorbent materials and clogging issues associated with large-volume environmental samples.</p><p>Following extraction, concentration and cleanup represented critical analytical stages due to the trace-level occurrence and volatility of PCBs. Silica and alumina cleanup procedures were used to remove matrix interferences prior to instrumental analysis. The concentration workflow combined rotary evaporation for bulk solvent reduction with nitrogen blowdown for final volume reduction to less than 1 mL, while carefully avoiding excessive temperature or complete dryness to minimize analyte loss. Oloy repeatedly stresses that improper concentration procedures are among the most common causes of analytical failure in PCB analysis.</p><p>For instrumental determination, the study utilized <strong>gas chromatography coupled with electron capture detection (GC-ECD)</strong> rather than LC-MS or GC-MS. According to Oloy, GC was preferred because PCBs are sufficiently volatile for gas chromatographic separation, while ECD provided superior sensitivity and selectivity for chlorinated compounds at environmentally relevant concentrations. The interview also discusses analytical validation strategies, including the use of surrogate standards to assess <strong>recoveries,</strong> which ranged from approximately <strong>85% to 114%</strong>, and signal-to-noise-based determination of detection limits.</p><p>The study further examined <strong>seasonal variations in PCB concentrations</strong>, revealing <strong>higher levels during the wet season</strong>. This observation was attributed to rainfall-driven runoff from contaminated infrastructure, sediment resuspension, and lower temperatures that reduce volatilization losses. To communicate toxicological relevance beyond simple concentration reporting, the researchers also calculated <strong>toxic equivalency values (TEQs)</strong>, converting mixtures of PCB congeners into biologically meaningful toxicity estimates comparable to dioxin toxicity metrics.</p><p>Beyond environmental monitoring, Oloy highlights broader research interests focused on <strong>pollutant remediation and sustainable environmental protection</strong>. His group is also involved in developing catalytic materials capable of degrading or removing persistent contaminants from environmental systems. Throughout the discussion, he emphasizes that analytical chemistry plays a central role not only in detecting pollutants, but also in enabling prevention, remediation, and long-term environmental management strategies.</p></div></div></div></div></div></div></section><blockquote><p><strong>This text has been automatically transcribed from a video presentation using AI technology. It may contain inaccuracies and is not guaranteed to be 100% correct.</strong></p></blockquote><blockquote><h4><strong>Concentrating on Chromatography Podcast</strong></h4><p>Dive into the frontiers of chromatography, mass spectrometry, and sample preparation with host David Oliva. Each episode features candid conversations with leading researchers, industry innovators, and passionate scientists who are shaping the future of analytical chemistry. From decoding PFAS detection challenges to exploring the latest in AI-assisted liquid chromatography, this show uncovers practical workflows, sustainability breakthroughs, and the real-world impact of separation science. Whether you’re a chromatographer, lab professional, or researcher you'll discover inspiring content!</p><p>You can find <strong>Concentrating on Chromatography Podcast </strong>in podcast apps:</p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://open.spotify.com/show/1wZg67rCjoGju4yhqxI3tL"><strong>Spotify</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://podcasts.apple.com/tz/podcast/concentrating-on-chromatography/id1788429185"><strong>Apple podcast</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://podscan.fm/podcasts/concentrating-on-chromatography"><strong>podscan</strong></a></li></ul><p>and on <a target="_blank" rel="noopener noreferrer" href="https://www.youtube.com/@ChromatographyTalk/videos"><strong>YouTube channel</strong></a></p></blockquote>

Tracking Toxic PCBs in River Water using Gas Chromatography–Electron Capture Detection

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Organomation, founded in 1959, designs and manufactures high-quality nitrogen evaporators and extraction systems. Known for innovation and durability, their lab instruments are used globally for efficient sample preparation with strong customer support.

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Mestrelab Mnova MSChrom software

Mnova MSChrom (Formerly MS) provides a common interface for different vendor data and automates all functionality such as data importing and display, integration, background subtraction, display of extracted mass chromatograms, molecule match, enumeration of molecular formulae, etc.

<h3><strong>Process, analyze and report your LC-MS and GC-MS data from your different instruments</strong></h3>
<p>Mnova MSChrom (Formerly MS) provides a common interface for different vendor data and automates all functionality such as data importing and display, integration, background subtraction, display of extracted mass chromatograms, molecule match, enumeration of molecular formulae, etc.</p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_MS_Chrom_Effortlessly_analyze_and_report_LCMS_and_GCMS_data_from_a_wide_range_of_instruments_b7f5482cde.jpg" alt="Mestrelab Research: Mnova MSChrom - Effortlessly analyze and report LCMS and GCMS data from a wide range of instruments."/></p>
<blockquote>
<h4><a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwslf"><strong>Visit MestreLab Research MSChrom product page to learn more!</strong></a></h4>
</blockquote>
<h3><strong>MSChrom Highlights</strong></h3>
<ul>
<li><strong>Common interface</strong> to visualize your data from different vendors.</li>
<li><strong>Automate all functionality</strong> such as data importing and display, integration, background subtraction, display of extracted mass chromatograms, molecule match, enumeration of molecular formula, etc.</li>
<li><strong>Verify proposed structures</strong> by automatically matching molecular ion and isotope peaks, and potentially the MS/MS fragmentation peaks.</li>
<li><strong>Predict the isotope clusters</strong> of a molecular formula with various adducts/losses and compare with observed mass spectrum.</li>
<li><strong>Process and report</strong> MS data on your computer, improves the efficiency and save time for more complex problems.</li>
<li><strong>Improve your efficiency</strong> by automating and customizing the analysis and reporting in batch mode or in real-time using Mnova scripts.</li>
<li>Make your <strong>analytical results searchable</strong> using Mnova DB!</li>
<li><strong>Calculate MS peak purity.</strong> The Mnova MS peak purity shows the curves associated to the most abundant mass peaks under the selected chromatogram peak.</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_MS_Chrom_Opens_the_power_of_the_technique_to_all_non_expert_users_9ccef334fa.jpg" alt="Mestrelab Research: Mnova MSChrom - Opens the power of the technique to all non-expert users."/></p>
<h3><strong>Mnova MSChrom Features</strong></h3>
<h4><strong>Background Subtraction</strong></h4>
<ul>
<li>This new feature is designed to facilitate background subtraction in your datasets, offering the capability to apply mass spectra and UV subtraction to lower impurities and noisy common peaks obtained from your analytical system, etc. to achieve more precise data analysis.</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_MS_Chrom_Sample_2_and_blank_1_used_to_apply_MS_Background_Subtraction_and_the_result_3_6a554048a8.jpg" alt="Mestrelab Research: Mnova MSChrom - Sample, 2, and blank, 1, used to apply MS Background Subtraction and the result, 3."/></p>
<h4><strong>New Enhanced Peak Picking Algorithm and Blind Regions</strong></h4>
<ul>
<li><p>Now, MSChrom includes a new <strong>Enhanced Peak Picking Algorithm</strong> providing an alternative to the Classic algorithm used in previous versions of MSChrom. Within <strong>Enhanced</strong> peak picking algorithm new settings are available to reproduce your best results in terms of detection and integration, including Baseline Correction, smoothing features, and a new functionality based on Saturated levels, where users can set an abundance threshold to identify those overloaded peaks due to detector saturation, and perform corrections on them.</p>
</li>
<li><p>Introducing the new <strong>Blind Regions</strong> tool-a highly beneficial addition. This tool enables the selective exclusion of those undesired regions from chromatograms during analytical processes as peak picking or any general data treatment. Blind Regions will remain ignored saving time, resources, providing better reproducible results. It proves especially helpful in cases where challenges arise in specific regions (solvent front in LC, column bleeding in GC, etc.) or, for instance, when opting to discard the limits of the chromatogram.</p>
</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_MS_Chrom_Chromatographic_Peak_Detection_Settings_panel_and_Blind_Regions_table_displayed_after_peak_picking_9f4b2b6def.jpg" alt="Mestrelab Research: Mnova MSChrom - Chromatographic Peak Detection Settings panel and Blind Regions table displayed after peak picking process and applying two blind regions on the chromatogram."/></p>
<h4><strong>Combine NMR and LC-MS or GC-MS Data in the Same Document</strong></h4>
<ul>
<li>Automatically open analytical data from instruments like Agilent, Bruker, JEOL, Thermo, and Waters, along with data in mzData or mzXML formats (<a href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gs6"><strong>refer to supported formats here</strong></a>).</li>
<li>Integrate peaks in TIC, MS, and UV/ELSD traces, either automatically or manually.</li>
<li>Choose mass spectra based on TIC peaks, with or without background subtraction, and display them in either centroid or profile mode.</li>
<li>Manually co-add mass spectra, and seamlessly analyze and report NMR and MS data together in the same document</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_MS_Chrom_Combine_NMR_and_LC_MS_or_GC_MS_Data_in_the_Same_Document_a575d33699.jpg" alt="Mestrelab Research: Mnova MSChrom - Combine NMR and LC-MS or GC-MS Data in the Same Document."/></p>
<h4><strong>Effortlessly Generate EMC/EIC, UV Traces, and UV Spectra</strong></h4>
<ul>
<li>Create Extracted Mass/Ion Chromatograms (EMC/EIC) within a specified mass range or at a particular m/z value.</li>
<li>Generate UV Traces effortlessly by selecting a wavelength from a DAD trace.</li>
<li>Easily extract UV spectra at chosen retention times from a PDA total absorbance chromatogram.</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_MS_Chrom_Effortlessly_Generate_EMC_EIC_UV_Traces_and_UV_Spectra_e80492edfa.jpg" alt="Mestrelab Research: Mnova MSChrom - Effortlessly Generate EMC/EIC, UV Traces, and UV Spectra."/></p>
<h4><strong>Automatic Molecule Matching for Structure Confirmation</strong></h4>
<ul>
<li>Beyond its extensive NMR structure confirmation tools within the NMR plugin, Mnova MSChrom introduces the molecular match feature, an invaluable resource for verifying structures through LC/GC/MS analysis.</li>
<li>This functionality is exceptionally swift and user-friendly, ensuring accessibility for all users, including those new to the field.</li>
<li>Import chemical structures and let the software automatically confirm matches with your experimental data. Customize match criteria by selecting adducts, losses, mass accuracy, score thresholds, etc.</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_MS_Chrom_Automatic_Molecule_Matching_for_Structure_Confirmation_04d66572d1.jpg" alt="Mestrelab Research: Mnova MSChrom - Automatic Molecule Matching for Structure Confirmation."/></p>
<h4><strong>Isotope Cluster Prediction for Elemental Composition Verification</strong></h4>
<ul>
<li>The feature enables users to propose one or multiple molecular formulas and anticipate their mass peaks using a predefined list of adducts or losses.</li>
<li>Mnova MSChrom generates a list of molecular ion and isotopic peaks, automatically aligning them with experimental peaks, if present.</li>
<li>Customize the display by choosing the desired prediction, along with the corresponding adduct or loss, for comparison on the spectrum.</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_MS_Chrom_Isotope_Cluster_Prediction_for_Elemental_Composition_Verification_7f75f9d6c3.jpg" alt="Mestrelab Research: Mnova MSChrom - Isotope Cluster Prediction for Elemental Composition Verification."/></p>
<h3><strong>Mnova MSChrom Market and Users</strong></h3>
<ul>
<li>Teaching MS and Chromatography to chemistry departments</li>
<li>Research in organic, medicinal and environmental chemistry</li>
<li>Quality control in chemical and pharmaceutical companies</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_MS_Chrom_users_507a260da1.jpg" alt="Mestrelab Research: Mnova MSChrom users."/></p>
<h3><strong>Frequently Asked Questions</strong></h3>
<h5><strong>How can I know if my data is compatible with Mnova?</strong></h5>
<p><em>Mnova MS supports most of the different MSChrom data formats. You can check it on the MSChrom supported format table <a href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gs6"><strong>here</strong></a>. Please let us know if your MSChrom data format is not in the list.</em></p>
<h5><strong>How much does the MSChrom module cost?</strong></h5>
<p><em>You can find the cost of this module in our online store. You can also check out for any combo option if you have or you need Mnova NMR. For any questions about pricing you can always contact us directly at <strong>sales@mestrelab.com</strong></em></p>
<h5><strong>I have Mnova NMR and I am wondering if I could add my MS data to my NMR reports.</strong></h5>
<p><em>Yes. You can open NMR and MS data in the same document, and cut/paste the MSChrom display to the same page of NMR data if needed. Or you can create a display template to automatically format the reports.</em></p>
<h5><strong>Can I use my MSChrom data for verification purposes?</strong></h5>
<p><em>Yes. Run Molecule Match in Mnova MSChrom to verify the elemental composition automatically, or run Mnova Verify to verify a proposed structure against your MS data (Mnova Verify needs a separate license).</em></p>
<h5><strong>Can I use it to process my High Resolution MSChrom data?</strong></h5>
<p><em>Yes. Both high resolution and low resolution MS data can be used by Mnova MSChrom. Just make sure you set the proper mass tolerance parameters when you do Molecular Match.</em></p>
<h5><strong>Can I try Mnova MSChrom?</strong></h5>
<p><em>Yes, you can download a 45-day trial license of any of our products. The Mnova MSChrom module is included within the main Mnova installer. Download Mnova and try it now!</em></p>
<h3><strong>Case Studies</strong></h3>
<h4><strong>Automated analysis and reporting LC/MS and NMR together for compound registration – A case study</strong></h4>
<p>A pharma company does quality control of their compounds using both NMR and LC/MS before registration, and generates the analysis reports in their own format. Based on their requirement, we developed a Mnova script (R_NMR_MS.qs) that does all of this automatically.</p>
<blockquote>
<p><a href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gs9"><strong>read more</strong></a></p>
</blockquote>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_MS_Chrom_Automated_analysis_and_reporting_LC_MS_and_NMR_together_for_compound_registration_A_case_study_8003aab1ff.jpg" alt="Mestrelab Research: Mnova MSChrom - Automated analysis and reporting LC-MS and NMR together for compound registration – A case study."/></p>


Mestrelab Mnova Gears – Chrom Best Method software

Chrom Best Method is a vendor agnostic tool that can seamlessly screen and compare several chromatographic methods, then suggest the one that is more likely to yield a pure compound.

<h3><strong>Automated solution for selection of the optimal separation method</strong></h3>
<p>Data processing and comparison between different chromatographic methods can quickly form a bottleneck when large amounts of data is generated, particularly when multiple different instruments are involved.</p>
<p><strong>Chrom Best Method</strong> is a vendor-agnostic tool that can seamlessly <strong>screen and compare several chromatographic methods</strong>, then suggest the one that is more likely to yield a pure compound. Chrom Best Method <strong>automates LC-MS data processing</strong>, <strong>target and impurity identification</strong>, <strong>method scoring</strong>, and <strong>report generation</strong>, to provide quick, smart, and robust answers, whilst still allowing for full review and overriding of results to accommodate users’ needs.</p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Best_Method_software_Find_the_best_separation_conditions_for_your_compounds_with_Chrom_Best_Method_7d0d3f9805.jpg" alt="Mestrelab Research: Save time and money – find the best separation conditions for your compounds with Chrom Best Method!"/></p>
<blockquote>
<h3><a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskj"><strong>Visit MestreLab Research Mnova Gears – Chrom Best Method product page to learn more!</strong></a></h3>
</blockquote>
<h3><strong>Chrom Best Method Benefits</strong></h3>
<ul>
<li>Effective, <strong>vendor-neutral analysis and comparison of your LC-MS data from different instruments</strong> in one software package.</li>
<li>Seamless <strong>evaluation of several methods</strong> for many targets in a single run, which accommodates <strong>HT experimentation</strong>.</li>
<li>Meaningful <strong>method scores</strong> based on your criteria, preferences, and operational requirements.</li>
<li>Substantial <strong>reduction in the time spent</strong> on manual analysis and creation of reports.</li>
<li>Effective <strong>result visualization and interpretation</strong>, enabling quick and confident decision making.</li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Best_Method_software_2_8cff8a724b.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Best Method software"/></p>
<h3><strong>Chrom Best Method Features</strong></h3>
<ul>
<li><strong>Automated data preparation, analysis, and reporting of results</strong></li>
<li>Comprehensive <strong>method scoring</strong> that generates meaningful results</li>
<li>Powerful target <strong>peak assignment options</strong> and <strong>detection of impurities</strong></li>
<li><strong>Multiple ways to provide target information</strong> (using a structure, dataset file name, mapping file, or parameters)</li>
<li><strong>Flexible ion matching and analysis options</strong> that fit multiple-use cases</li>
<li>Optimized <strong>algorithm for chiral screening</strong></li>
<li>Possibility to <strong>screen methods on different targets in a single run</strong></li>
<li><strong>Manual review</strong> by exception of scoring and <strong>ability to override results</strong></li>
</ul>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Best_Method_software_ccc0c0e0ad.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Best Method software."/></p>
<h3><strong>Purification Workflow</strong></h3>
<h4><strong>More Automation</strong></h4>
<p>Looking for an enterprise-level solution for improving your purification and data management procedures? Check the <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskm"><strong>Fraction Analysis</strong></a> and <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskq"><strong>Quality Control</strong></a> bricks that also run in full automation with Mgears. You have the complete flexibility to combine and adapt these solutions to your standard procedures to reap even more benefits to your organization.</p>
<p><a href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsh"><strong>Contact us</strong></a> for more information.</p>
<p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Best_Method_software_4_f25f63daa7.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Best Method software"/></p>
<h3><strong>Markets</strong></h3>
<p>Academic, Government &amp; Industrial</p>
<h4><strong>Who should be using Chrom Best Method?</strong></h4>
<p>Organic chemists, analysts, QC experts, and researchers using quantitative chromatographic methods for quality control, concentration/purity determination, or monitoring/optimization of reactions in one of the following markets and applications:</p>
<ul>
<li><p>Pharmaceutical / Drug development industry</p>
</li>
<li><p>Food &amp; Beverage industries</p>
</li>
<li><p>Personal care and Cosmetics</p>
</li>
<li><p>Fine chemical synthesis industries</p>
</li>
<li><p>Polymer industries</p>
</li>
<li><p>Academic research laboratories</p>
</li>
<li><p>Contract Research Organizations (CROs) offering purification services</p>
</li>
<li><p>Compound purification for subsequent use in studies or commercialization</p>
</li>
<li><p>Isolation of unknown impurities in finished products, natural products, or in the environment for structural disclosure, study, etc.</p>
</li>
<li><p>Chiral separation to remove unwanted enantiomers obtained during organic synthesis</p>
</li>
</ul>


Products from category Software and libraries focused on GC/MSD from SciY/Mestrelab Research - page 1

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