In the week of July 13, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.<blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars">👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</a></h4>👉 Search and filter in the largest global database with over 5 500 GC, LC, MS and spectroscopy webinars.</blockquote><h5>1. Markes International: Understand the aromas consumers really experience</h5><ul><li>Tu, 14.7.2026 10:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6382">Registration</a></li></ul>Join Markes as they unveil their latest innovation and explore a new approach to helping researchers and product developers gain a deeper understanding of aroma evolution.<h5>2. Thermo Fisher Scientific: Helium, PFAS &amp; Recycled Plastics: Addressing Key Challenges in Industrial Laboratories</h5><ul><li>Th, 16.7.2026 08:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6337">Registration</a></li></ul>Tackle industrial GC challenges. Learn strategies for helium conservation, PFAS testing using TD-GC-MS, and analytical solutions for recycled plastics.<h5>3. C&amp;EN: Microplastics Analysis You Can Defend: From Method to Results</h5><ul><li>Th, 16.7.2026 11:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6334">Registration</a></li></ul>Strengthen your microplastics analysis. Learn how combining LDIR chemical imaging and pyrolysis-GC/MS improves data quality across complex sample matrices.

Webinars LabRulezGCMS Week 29/2026

This study optimizes the quantification of hydrogen point-source emissions through controlled-release experiments using an 8 kW electrolyzer. A multiplatform AirCore sampling system coupled with a high-resolution GC-PDHID simultaneously measured hydrogen, methane, and carbon dioxide to evaluate how sampling conditions influence emission estimates.Analysis of UAV and ground-based measurements showed that plume coverage, wind variability, and sampling resolution strongly affect emission accuracy. The results also demonstrated that hydrogen plume behavior closely resembles methane, indicating that established methane monitoring strategies can be adapted for hydrogen leak detection and supporting future assessments of hydrogen as an indirect greenhouse gas.<blockquote><h4>The original article</h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsestair.6c00006">Controlled-Release Experiment to Optimize Emission Quantification of H2 Point Sources</a></h4>Iris M. Westra*, Hubertus A. Scheeren, Mareen J. Penninga, Steven M.A.C. van Heuven, and Harro A.J. MeijerACS EST Air 2026, 3, 6, 1576–1585<a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acsestair.6c00006">https://doi.org/10.1021/acsestair.6c00006</a><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/">CC-BY 4.0</a></h6></blockquote>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.<div>Currently, more than 90% of hydrogen produced is gray hydrogen, derived primarily from steam methane reforming or coal gasification, both of which are carbon-intensive. <a href="javascript:void(0);">(1)</a> Considering the global hydrogen budget, the primary natural source of atmospheric hydrogen is sunlight-driven production (e.g., via methane oxidation), contributing 38 ± 6 Tg yr–1 (about 55% of the total budget). The largest anthropogenic source of hydrogen is the combined contribution from biofuel burning and wildfires, amounting to 12 ± 4 Tg yr–1. <a href="javascript:void(0);">(1)</a> Hydrogen’s indirect Global Warming Potential (GWP) leads to the lengthening of the lifetime of CH4 and ozone, and to increased levels of stratospheric water vapor (H2O). <a href="javascript:void(0);">(2,3)</a> As a result, the GWP of H2 over a 100-year time scale has been estimated at 11.6 ± 2.8, indicating that H2 is 12 times more potent than CO2. <a href="javascript:void(0);">(4)</a> While this is about half the GWP of CH4 it underscores the significance of hydrogen’s indirect effects on climate when released into the atmosphere. <a href="javascript:void(0);">(5)</a> Until recently, small but climate-relevant hydrogen emissions remained undetected along the entire hydrogen value chain. However, such hydrogen losses during production, transport, storage and consumption could lead to a greater atmospheric hydrogen burden. <a href="javascript:void(0);">(3)</a> To illustrate the impact of hydrogen leakage, the HC2017 scenario presented in Hauglustaine et al. (2022) shows that, for a hydrogen mix of 30% blue (gray+CCS) and 70% green hydrogen (renewables) with leakage rates of 1–3%, the climate benefit is substantially reduced, with hydrogen CO2-equivalent emissions corresponding to 20 to 54% of the avoided CO2 (based on GWP100 and GWP20, respectively). At higher leakage rates (&gt;10% for a 100-year horizon; &gt; 5% for a 20-year horizon), this hydrogen mix results even in a net climate penalty, where CO2-eq emissions exceed the avoided CO2.Thus, far, current loss rate estimates, ranging up to 10%, are solely based on bottom-up emission estimates (i.e., theory-based). <a href="javascript:void(0);">(6−8)</a> A limited amount of suitable measurement equipment and a current lack in actual measurements causes these estimates to have no validation. <a href="javascript:void(0);">(9)</a>Only recently, sensitive new techniques to detect low-level hydrogen emissions along the value chain on an atmospheric scale have become available. In our previous study <a href="javascript:void(0);">(10)</a> we combined an established high-precision analysis method (gas chromatograph─pulsed discharge helium ionization detector; GC-PDHID) with a newly applied sampling method (active AirCore <a href="javascript:void(0);">(11)</a>) deployed from various mobile platforms, to detect significant hydrogen emissions originating from a chemistry park in the Netherlands. <a href="javascript:void(0);">(10)</a> In the meantime, Aerodyne Research Inc. (USA) has developed a laser-spectroscopy-based instrument with which atmospheric hydrogen can be measured continuously, through oxidation to water vapor and a subsequent optical measurement, achieving ∼5 ppb precision (per 5 s). <a href="javascript:void(0);">(12,13)</a> The Norwegian oil company Equinor, in collaboration with Advanced Monitoring Solutions (AdMS) and the Department of Chemistry (University of Oslo) in Norway, have developed a mass spectrometer system capable of measuring small atmospheric hydrogen mole fractions (&lt;1 umol mol–1 i.e., ppm) with a detection limit of ∼10 nmol mol–1 (i.e., ppb) directly from dried ambient air. <a href="javascript:void(0);">(14)</a> Hence, with these new developments in atmospheric hydrogen detection techniques, the hitherto unknown hydrogen emissions along the hydrogen value chain become visible.In the field of emission quantification there is already a wealth of reported experiments for greenhouse gases (GHG), like methane (CH4), <a href="javascript:void(0);">(15)</a> with the aim of making emission quantifications more reliable and accurate. These emission estimates help reduce uncertainties in bottom-up estimates of the greenhouse gas (GHG) budget. <a href="javascript:void(0);">(16)</a>Optimal airborne plume sampling for methane emissions from a point source depends on factors such as the downwind distance, maximum flight time, measurement precision, and atmospheric stability conditions. <a href="javascript:void(0);">(17)</a> Especially during near-source sampling (&lt;500 m downwind), accurate visualization of the plume in both the horizontal (width) and vertical (height) plane is critical for reducing significant discrepancies between measured emissions and inventory estimates. <a href="javascript:void(0);">(18−20)</a> Furthermore, Morales et al. showed that measurement uncertainties increase primarily under conditions of wind speeds below 2 m s–1, wind direction variability greater than 33°, and sampling at downwind distances greater than 75 m. So far, under the most favorable measurement conditions, CH4 emissions could be quantified with an overall uncertainty of at best 30%. <a href="javascript:void(0);">(17)</a>In this study, we use measurements from a controlled-release experiment to optimize the quantification of hydrogen point-source emissions by identifying the most influential parameters contributing to uncertainties in the emission estimates.In the following, we first outline the sampling and analysis techniques, building on Westra et al., <a href="javascript:void(0);">(10)</a> after which we give a site description and further necessary prior information. The observations obtained from ground-based and airborne measurements are analyzed using a Gaussian plume dispersion model combined with a Monte Carlo uncertainty analysis to estimate the emission rate. At the end of the paper the conclusions and outlook on our methodology will be given.<h4>2. Materials and Methods</h4><h5>2.4. Analysis Methods</h5>The <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=8890">Agilent 8890 gas chromatograph</a> pulsed discharged helium ionization detector (GC-PDHID) system setup was designed for the precise and accurate analysis of H2, CO2 and CH4 in dry ambient air. We chose a PDHID for its high sensitivity, reliability, and good linearity from low to high mole fractions for H2 (here typically ranging between 0.5 up to 5 ppm). The system setup enables, via a heart-cutting procedure (forward-flush mode of the O2 and N2 fraction), the simultaneous detection of CO2 and CH4, which can aid in the source apportionment of atmospheric H2.Our system design was partly based on the Agilent setup 7890–0237 “Impurities in Monomers Analyzer by PDHID” and a GC setup by Wang et al. <a href="javascript:void(0);">(24)</a> The PDHID system uses Helium 5.0 (99.9999% Vol. %, Westfalen) as carrier gas, for a combination of a HayeSep Q, (G3591–81004, 6 ft,18” “, 2 mm, 80–100 mesh packed) pre-column, followed by a ShinCarbon (G3591–81187, 2 m, 18”, 2 mm, 50/80 mesh) analytical column for detection of H2, CH4 and CO2. For the sample analysis a 2 mL sample loop is flushed at a rate of 43 ± 2 mL min–1 for 0.01–0.67 min. One chromatogram lasts 15.5 min for the detection cycle of H2, CH4 and CO2, and 7.5 min for H2 only. Retention times for the H2–CH4–CO2-method are 2.8 ± 0.1 min for H2 with a 4.2 ± 1.0 s wide peak width (PW), 7.7 ± 0.1 min for CH4 with a 16.8 ± 1 s PW, and 13.9 ± 0.1 min for CO2 with a 78 ± 1 s PW, and for the single H2-method at 2.3 ± 0.1 min for H2 with a 4.8 ± 1.0 s PW. A more detailed description of the GC analysis is given in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsestair.6c00006/suppl_file/ea6c00006_si_001.pdf">Section S1.1</a>.<h4>3. Results and Discussion</h4><h5>3.2. AirCore Results</h5>The determined emission rates were achieved by applying the Gaussian dispersion model to the found H2 enhancements for each transect, and by taking into account the atmospheric conditions during sampling, following the approach outlined in Westra et al. <a href="javascript:void(0);">(10)</a> Using an 8 kW electrolyzer (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsestair.6c00006#fig4">Figure 4</a>) with a known, continuous release rate of 1.1 ± 0.1 m3 h–1 as a controlled source, we analyzed 14 data sets to determine a mean weighted hydrogen emission rate of 0.94 ± 0.06 m3 h–1. This agrees well within uncertainty with the known source rate. The relative uncertainty (ratio of uncertainty over average) of the emission estimate is 6%, compared to 9% for the known source. The source-based uncertainty was derived from variability in the electrolyzer exhaust monitored over multiple hours. More information with regard to the uncertainty analysis can be found S1.5. All data gathered during the field experiments is given in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsestair.6c00006/suppl_file/ea6c00006_si_001.pdf">Sections S2.1 and S2.4</a>.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_EST_Air_2026_3_6_1576_1585_Figure_4_Emission_rates_estimated_for_six_sampling_days_using_the_Gaussian_dispersion_model_and_the_Air_Core_technique_a84e3bb1b0.jpg" alt="ACS EST Air 2026, 3, 6, 1576–1585: Figure 4. Emission rates estimated for six sampling days using the Gaussian dispersion model and the AirCore technique, measured downwind of the electrolyzer at varying distances. Measurements were conducted either at ground level (cart icon) or via UAV (drone icon). Boxplots represent results from 500 Monte Carlo simulations, displaying the mean and interquartile range. From 28 to 11–2024 onward the, as described, an optimized sampling method was used." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_EST_Air_2026_3_6_1576_1585_Figure_4_Emission_rates_estimated_for_six_sampling_days_using_the_Gaussian_dispersion_model_and_the_Air_Core_technique_a84e3bb1b0.jpg 234w," sizes="100vw" width="1453" height="970">On day 13–11–2024, the quality of the data collected along the first 100 m trajectory was lower due to a sampling flow rate of ∼45 sccm combined with a relatively high rate of displacement. As a result, the full plume width was not captured, and the spatial resolution of the measurements was insufficient. This limitation, consistent with the findings of Mohammadloo et al., <a href="javascript:void(0);">(15)</a> led to the underestimation of the actual emission rate. Particularly for transect 100 m (1), where the plateau-shaped peak approximated a Gaussian peak, led the dispersion model to substantially underestimate the emission rate (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/suppl/10.1021/acsestair.6c00006/suppl_file/ea6c00006_si_001.pdf">Sections S1.6 and S2.3</a>). Furthermore, the relatively large spread in data points observed throughout the remaining trajectories of 13–11–2024 can be attributed to the sampling time of the experiment, during which the atmospheric variability (i.e., wind speed and direction) impacted the uncertainty. As a result, the Monte Carlo simulations produced a wider range of solutions due to this variability, and thus a greater spread in the values. So, the impact of the atmospheric conditions could be reduced by minimizing sampling time and thereby reducing the atmospheric variability.For day 14–11–2024 (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsestair.6c00006#fig5">Figure 5</a>), an average wind speed of 1.7 ± 1 m s–1 was measured. According to Andersen, <a href="javascript:void(0);">(22)</a> wind speeds below 2 m s–1 lead to ill-defined wind directions, making the plume less likely to follow a stable path and thereby increasing uncertainty in the emission estimate. Hence, it is likely that the lower wind speed on this day contributed to less reliable results in the emission quantification. Moreover, for day 14–11–2024, the wider spread observed in the estimates (<a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acsestair.6c00006#fig4">Figure 4</a>) is attributed to incomplete coverage of the plume width along the 100 m downwind transects.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/ACS_EST_Air_2026_3_6_1576_1585_Figure_5_Trajectory_of_ground_based_Air_Core_profile_downwind_of_the_electrolyzer_2f1d50dfd7.jpg" alt="ACS EST Air 2026, 3, 6, 1576–1585: Figure 5. Trajectory of ground-based AirCore profile downwind of the electrolyzer (shown by the “x”) on 14–11–2024, first round (a, b) and second round (c, d), shown on a 300 m scale and the H2 mole fraction (ppb) given in the legend on the right. The total sampling time of the trajectory was 35 min. Map tiles © Mapbox, data © OpenStreetMap contributors (ODbL), modified by the author." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_ACS_EST_Air_2026_3_6_1576_1585_Figure_5_Trajectory_of_ground_based_Air_Core_profile_downwind_of_the_electrolyzer_2f1d50dfd7.jpg 184w," sizes="100vw" width="1627" height="1383"></div>

Controlled-Release Experiment to Optimize Emission Quantification of H2 Point Sources

A Rapid, Antigen-Independent Diagnostic Strategy for Chronic Chagas Disease Based on Serum ATR-FTIR Spectroscopy and Machine Learning

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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>Process, analyze and report your LC-MS and GC-MS data from your different instruments</h3>
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.
<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."/>
<blockquote>
<h4><a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwslf">Visit MestreLab Research MSChrom product page to learn more!</a></h4>
</blockquote>
<h3>MSChrom Highlights</h3>
<ul>
<li>Common interface to visualize your data from different vendors.</li>
<li>Automate all functionality such as data importing and display, integration, background subtraction, display of extracted mass chromatograms, molecule match, enumeration of molecular formula, etc.</li>
<li>Verify proposed structures by automatically matching molecular ion and isotope peaks, and potentially the MS/MS fragmentation peaks.</li>
<li>Predict the isotope clusters of a molecular formula with various adducts/losses and compare with observed mass spectrum.</li>
<li>Process and report MS data on your computer, improves the efficiency and save time for more complex problems.</li>
<li>Improve your efficiency by automating and customizing the analysis and reporting in batch mode or in real-time using Mnova scripts.</li>
<li>Make your analytical results searchable using Mnova DB!</li>
<li>Calculate MS peak purity. The Mnova MS peak purity shows the curves associated to the most abundant mass peaks under the selected chromatogram peak.</li>
</ul>
<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."/>
<h3>Mnova MSChrom Features</h3>
<h4>Background Subtraction</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>
<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."/>
<h4>New Enhanced Peak Picking Algorithm and Blind Regions</h4>
<ul>
<li>Now, MSChrom includes a new Enhanced Peak Picking Algorithm providing an alternative to the Classic algorithm used in previous versions of MSChrom. Within Enhanced 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.
</li>
<li>Introducing the new Blind Regions 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.
</li>
</ul>
<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."/>
<h4>Combine NMR and LC-MS or GC-MS Data in the Same Document</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">refer to supported formats here</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>
<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."/>
<h4>Effortlessly Generate EMC/EIC, UV Traces, and UV Spectra</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>
<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."/>
<h4>Automatic Molecule Matching for Structure Confirmation</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>
<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."/>
<h4>Isotope Cluster Prediction for Elemental Composition Verification</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>
<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."/>
<h3>Mnova MSChrom Market and Users</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>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_MS_Chrom_users_507a260da1.jpg" alt="Mestrelab Research: Mnova MSChrom users."/>
<h3>Frequently Asked Questions</h3>
<h5>How can I know if my data is compatible with Mnova?</h5>
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">here</a>. Please let us know if your MSChrom data format is not in the list.
<h5>How much does the MSChrom module cost?</h5>
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 sales@mestrelab.com
<h5>I have Mnova NMR and I am wondering if I could add my MS data to my NMR reports.</h5>
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.
<h5>Can I use my MSChrom data for verification purposes?</h5>
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).
<h5>Can I use it to process my High Resolution MSChrom data?</h5>
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.
<h5>Can I try Mnova MSChrom?</h5>
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!
<h3>Case Studies</h3>
<h4>Automated analysis and reporting LC/MS and NMR together for compound registration – A case study</h4>
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.
<blockquote>
<a href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gs9">read more</a>
</blockquote>
<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."/>

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>Automated solution for selection of the optimal separation method</h3>
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.
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. Chrom Best Method automates LC-MS data processing, target and impurity identification, method scoring, and report generation, to provide quick, smart, and robust answers, whilst still allowing for full review and overriding of results to accommodate users’ needs.
<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!"/>
<blockquote>
<h3><a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskj">Visit MestreLab Research Mnova Gears – Chrom Best Method product page to learn more!</a></h3>
</blockquote>
<h3>Chrom Best Method Benefits</h3>
<ul>
<li>Effective, vendor-neutral analysis and comparison of your LC-MS data from different instruments in one software package.</li>
<li>Seamless evaluation of several methods for many targets in a single run, which accommodates HT experimentation.</li>
<li>Meaningful method scores based on your criteria, preferences, and operational requirements.</li>
<li>Substantial reduction in the time spent on manual analysis and creation of reports.</li>
<li>Effective result visualization and interpretation, enabling quick and confident decision making.</li>
</ul>
<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"/>
<h3>Chrom Best Method Features</h3>
<ul>
<li>Automated data preparation, analysis, and reporting of results</li>
<li>Comprehensive method scoring that generates meaningful results</li>
<li>Powerful target peak assignment options and detection of impurities</li>
<li>Multiple ways to provide target information (using a structure, dataset file name, mapping file, or parameters)</li>
<li>Flexible ion matching and analysis options that fit multiple-use cases</li>
<li>Optimized algorithm for chiral screening</li>
<li>Possibility to screen methods on different targets in a single run</li>
<li>Manual review by exception of scoring and ability to override results</li>
</ul>
<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."/>
<h3>Purification Workflow</h3>
<h4>More Automation</h4>
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">Fraction Analysis</a> and <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskq">Quality Control</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.
<a href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsh">Contact us</a> for more information.
<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"/>
<h3>Markets</h3>
Academic, Government &amp; Industrial
<h4>Who should be using Chrom Best Method?</h4>
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:
<ul>
<li>Pharmaceutical / Drug development industry
</li>
<li>Food &amp; Beverage industries
</li>
<li>Personal care and Cosmetics
</li>
<li>Fine chemical synthesis industries
</li>
<li>Polymer industries
</li>
<li>Academic research laboratories
</li>
<li>Contract Research Organizations (CROs) offering purification services
</li>
<li>Compound purification for subsequent use in studies or commercialization
</li>
<li>Isolation of unknown impurities in finished products, natural products, or in the environment for structural disclosure, study, etc.
</li>
<li>Chiral separation to remove unwanted enantiomers obtained during organic synthesis
</li>
</ul>

Mestrelab Mnova Gears software

This comprehensive software suite, designed for building automation workflows, caters to your analytical data needs, spanning NMR, LC/GC-MS, and more.

<h3>Mnova Gears | Real-Time &amp; Batch processes</h3><h4>Automation Workflows for All Your Analytical Data Processes</h4>Are you tired of the monotony of routine data processing? Mnova Gears (also known as Mgears) is here to free up your time for innovation and more engaging tasks. This comprehensive software suite, designed for building automation workflows, caters to your analytical data needs, spanning NMR, LC/GC-MS, and more. Simply set your analysis samples and SOPs, launch the process, and let Mnova Gears handle the rest. From data retrieval to processing and analysis, Mnova Gears effortlessly applies the methods and formulas you provide, presenting the results in comprehensive reports.Experience the flexibility, seamless integration with your existing architecture, and the customizable nature of Mnova Gears. Like Mnova, it remains vendor-neutral, adapting to your unique requirements. Elevate your analytical data processes—automate with Mnova Gears!<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Design_your_data_workflows_and_let_Mgears_do_the_rest_5771003702.jpg" alt="Mestrelab Research: Mnova Gears - Design your data workflows and let Mgears do the rest!"><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwsl4">Visit Mestrelab Research Mnova Gears product page to learn more!</a></h4></blockquote><h4>What’s new in Mnova Gears 2.5?</h4>Mnova Gears 2.5 has been released with Mnova 15 introducing a range of new capabilities:<ul><li>New file copy option that copies the input files to the output folder without the need to open, process, or analyze them.</li><li>Ability to add chromatogram blind regions.</li><li>Improved data selection and auto-detection.</li><li>Capability to manage input data organized in multiple subfolders and generate sorted reports for each subfolder.</li><li>Heat map data visualization.</li><li>And other improvements that you can check in the complete changelog.</li></ul>Upgrade to Mgears 2.5 now to explore these features and to unlock the full potential of data automation.Also be sure you check our newest Mgears brick designed for <a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskt">Affinity Selection Mass Spectrometry</a> analyses.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Increase_your_efficiency_using_automated_analysis_workflows_c9d3fb13e6.jpg" alt="Mestrelab Research: Mnova Gears - Increase your efficiency using automated analysis workflows!"><h3>Mnova Gears products and how they relate to one another!</h3><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwsl4">Mnova Gears</a></h4><ul><li>Automation of multiple sample analysis</li><li>Batch and real time mode to generate documents for analysis</li></ul><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2020-10-22/25htxg">Mnova MyGears</a></h4><ul><li>Automation of single sample analysis</li><li>Automation workflows on an open Mnova document</li></ul><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsd">Mnova Gears Bricks</a></h4><ul><li>Build automation workflows using the following Gears bricks</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_1_b99a72ab8c.jpg" alt="Mestrelab Research: Mnova Gears products and how they relate to one another."><blockquote><h4>Want to run a 45-day FREE trial?</h4><h4><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsh">CONTACT AN EXPERT</a></h4></blockquote><h3>Intuitive 5-Step workflow!</h3><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Intuitive_5_Step_workflow_9191e59a96.jpg" alt="Mestrelab Research: Mnova Gears - Intuitive 5-Step workflow."><h4>Mnova Gears Benefits</h4><ul><li>Automate routine processes and workflows, saving valuable specialist time.</li><li>Create and manage end-to-end workflows seamlessly within a single tool.</li><li>Streamline multiple analytical workflows on a common, user-friendly platform.</li><li>Customize workflows by selecting components tailored to specific needs.</li><li>Enjoy flexibility and configurability, allowing seamless integration with existing infrastructure.</li><li>Collaborate with different systems in an unified environment due to vendor independence.</li><li>Leverage the familiarity with the Mnova interface to deploy and adopt automation solutions by your team without an extensive learning curve.</li><li>Benefit from expedited product support and development, consolidating all your automation analyses in one software suite.</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Mnova_Gears_Benefits_3186347cb7.jpg" alt="Mestrelab Research: Mnova Gears - Mnova Gears Benefits"><h4>Mnova Gears Features</h4><h5>Powerful Automation Capabilities for Comprehensive Data Tasks</h5><ul><li>A user-friendly platform equipped with all essential controls for customizing data processes, covering input data, processing and analysis methods, design, and output generation.</li><li>A wide array of default features and options is available to maximize adaptation to customer needs.</li><li>Acceptance of templates and scripts for further customization; you can even construct your own automation bricks using scripting.</li><li>Details of your customization are stored in a settings file, easily shareable and importable.</li></ul><h5>Automatic Reporting and Archiving</h5><ul><li>Diverse output formats, including CSV, PDF, HTML, JSON, and Mnova formats.</li><li>Seamless adaptation to data organization standards by specifying requirements for correct data archiving (in a folder, database, ELN, etc.).</li><li>Easy workflows to automatically update historic data to new standards, ensuring consistency across years and sites.</li><li>Continuous support and updates: Contact the support team for specific import/export format requests.</li></ul><h5>A User-Friendly Result Viewer with Graphical Dashboards for Rapid and Easy Data Review</h5><ul><li>Effortless exploration of results with the Mgears Results Viewer, featuring graphical dashboards.</li><li>At-a-glance and by-exception reviews for quick and effective data analysis.</li><li>Smooth navigation through sample lists or well plates, facilitating the review of data and analyzed spectra.</li><li>Identification of samples not meeting specifications using graphics and warning flags, saving time on extensive scrutiny.</li><li>Swift recalculations and result updates.</li></ul><h4>Multi-Technique and Multi-Application Analytical Workflows</h4><ul><li>Multiple techniques supported: NMR, LC-MS, GC-MS, Chromatography, etc.</li><li>Mnova Gears has already proven its prowess with a broad range of applications spanning from discovery, R&amp;D, to manufacturing and quality control.</li><li>Available applications include structure verification, purity determination, mixture analysis, chemical reaction optimization, and affinity selection mass spectrometry analysis. Explore the <a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsd">full list of applications</a> for comprehensive coverage.</li></ul><h3>Markets</h3><h5>Academic, Government &amp; Industrial</h5><h4>PRACTICAL APPLICATIONS</h4><ul><li>Quality Control (NMR, Mass Spectrometry, etc)</li><li>Natural Product Dereplication by NMR</li><li>Reaction Monitoring by NMR</li><li>Quantitative NMR</li><li>Targeted mixtures analysis by NMR</li><li>Multi-technique reporting</li><li>Protein-ligand Interaction</li><li>Product ID confirmation</li><li>Structure verification</li><li>DNA Profiling by LCMS</li><li>Ligand-based drug screenings</li><li>Reaction Optimization (HTE)</li><li>Determination of solubility, lipophilicity</li><li>System Suitability testing (NMR, LCMS)</li><li>Compound separation and purification workflows</li></ul>

Mestrelab Mnova Gears – Fraction Analysis software

The tool will evaluate the number and size of peaks present in each fraction, match and assign your target peak, calculate its purity, then score and report the results automatically.

<h3>Automated evaluation of collected elution fractions for decision making</h3>
To pool or not to pool? This may be a tricky question when more than one fraction has been collected for your sample during preparative chromatography.
Fraction Analysis will help you answer it quickly by automating the analysis of fractions and suggesting the most appropriate action to take. The tool will evaluate the number and size of peaks present in each fraction, match and assign your target peak, calculate its purity, then score and report the results automatically. After Fraction Analysis, you will be able to quickly review the results dashboard and pass the selected fraction to downstream quality control processes.
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Fraction_Analysis_software_Improve_your_chromatography_outcome_by_taking_informed_decisions_on_pooling_b5ede04d20.jpg" alt="Mestrelab Research: Mnova Gears - Fraction Analysis software: Improve your chromatography outcome by taking informed decisions on pooling, or otherwise, the eluate fractions!"/>
<blockquote>
<h3><a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskm">Visit MestreLab Research Mnova Gears – Fraction Analysis product page to learn more!</a></h3>
</blockquote>
<h3>Fraction Analysis Benefits</h3>
<ul>
<li>Huge time savings on spectral data analysis and preparation of professional-looking reports with the results</li>
<li>Reduce the risk of pooling a pure eluate fraction with a poor-quality one</li>
<li>Bring insight into the results and decide whether to stick to the suggested action or manually override it</li>
</ul>
<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 – Fraction Analysis software."/>
<h3>Fraction Analysis Features</h3>
<ul>
<li>Automated data ingestion, processing, analysis, and report generation</li>
<li>Powerful scoring based on peak number, size, and target mass purity</li>
<li>Flexible analysis options</li>
<li>Color coded dashboards and tables with analysis results</li>
<li>Automatic, data-driven suggestion for subsequent action (to keep and QC, or dispose of or review the elution fraction)</li>
<li>Possibility to override the automatically generated results</li>
<li>Summary CSV output with results that can be used as input files for the next-stage analysis</li>
</ul>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mnova_Gears_Fraction_Analysis_software_1_d59b34f8a9.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears - Fraction Analysis software."/>
<h3>Purification Workflow</h3>
<h4>More Automation</h4>
Looking for an enterprise-level solution for improving your purification and data management procedures? Check the <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskj">Best Method</a> and <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskq">Quality Control</a> bricks that also run in full automation, and learn more about our automated databasing solution with Mgears. You have the complete flexibility to combine and adapt these solutions to your standard procedures to reap even more benefits for your organization.
<a href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsh">Contact us</a> for more information.
<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 – Fraction Analysis software."/>
<h3>Markets</h3>
Academic, Government &amp; Industrial
<h4>Who should be using Fraction Analysis?</h4>
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:
<ul>
<li>Pharmaceutical/Drug development industry</li>
<li>Food &amp; Beverage industries</li>
<li>Personal care and Cosmetics</li>
<li>Fine chemical synthesis industries</li>
<li>Polymer industries</li>
<li>Academic research laboratories</li>
<li>Contract Research Organizations (CROs) offering purification services</li>
<li>Compound purification for subsequent use in studies or commercialization</li>
<li>Isolation of unknown impurities in finished products, natural products, or in the environment for structural disclosure, study, etc.</li>
<li>Chiral separation to remove unwanted enantiomers obtained during organic synthesis</li>
</ul>

Mestrelab Mnova Gears – Chrom QC software

This automation tool will run end-to-end QC workflows for you and deliver decision-enabling reports with all the results you’ll need.

<h3>Automated workflow for high throughput quality control using LC/GC-MS</h3>
Compound quality control can be challenging and time consuming when manual input for processing or result interpretation is needed. If you are an organic chemist, medicinal chemist, formulation scientist, or a quality specialist and want to analyze your compound libraries to assert compound identity and assess purity, Chrom QC is your best ally. This automation tool will run end-to-end QC workflows for you and deliver decision-enabling reports with all the results you’ll need.
Chrom QC runs on the Gears automation engine, which means that any LC/GC-MS format can be handled independently from the instrument software packages. Data is automatically retrieved from your directories (in batches or real time), matched to the corresponding molecular structures, formulae, masses, etc., and analyzed to confirm compound identity and determine purities. Custom csv, html, mnova, and PDF reports can also be automatically generated, and results can be sent directly to your database! Even better, all of this can be achieved with only minimal setup effort!
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_QC_software_All_your_purity_analyses_in_a_single_software_package_ff88cd29f6.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom QC software: All your purity analyses in a single software package!"/>
<blockquote>
<h3><a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskq">Visit MestreLab Research Mnova Gears – Chrom QC product page to learn more!</a></h3>
</blockquote>
<h3>Chrom QC Benefits</h3>
<ul>
<li>Quality control all your compounds using one software package that supports all the major proprietary LC-MS data formats – make your quality control independent of the devices used!</li>
<li>Streamline your lot and batch release programs by automating data processing, analysis, and report generation</li>
<li>High-quality data in a timely manner to enhance your lab productivity</li>
<li>Effective result visualization with possible manual review</li>
<li>Save your compound results in your Mnova databases on-the-fly</li>
</ul>
<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 QC software."/>
<h3>Chrom QC Features</h3>
<ul>
<li>Support to the majority of <a href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gs6">LC/GC-MS data formats</a></li>
<li>Automatic detection and matching of input data files with provided information</li>
<li>Flexible peak identification methods using molecular structures, formulae and masses, or peak size</li>
<li>Possible extraction of multiple traces for purity and concentration calculations</li>
<li>Automated reporting with customization options and use of design templates (html, mnova, PDF, csv)</li>
<li>Color-coded plate view to enable review-by-exception of the results</li>
<li>Manual peak selection tool for result correction</li>
<li>Automatic result archiving and databasing</li>
</ul>
<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_QC_software_d27c9333ee.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom QC software."/>
<h3>Purification Workflow</h3>
<h4>More Automation</h4>
Looking for an enterprise-level solution for improving your purification and data management procedures? Check the <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskj">Best Method</a> and <a href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwskm">Fraction Analysis</a> bricks that also run in full automation, and learn more about our automated databasing solution with Mgears. You have the complete flexibility to combine and adapt these solutions to your standard procedures to reap even more benefits for your organization.
<a href="http://www2.mestrelab.com/l/271522/2024-04-10/3p2gsh">Contact us</a> for more information.
<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 QC software."/>
<h3>Markets</h3>
Academic, Government &amp; Industrial
<h4>Who should be using Chrom QC?</h4>
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:
<ul>
<li>Pharmaceutical/Drug development industry</li>
<li>Food &amp; Beverage industries</li>
<li>Personal care and Cosmetics</li>
<li>Fine chemical synthesis industries</li>
<li>Polymer industries</li>
<li>Academic research laboratories</li>
<li>Contract Research Organizations (CROs)</li>
<li>Quality control of synthesized or acquired compounds prior to registration</li>
<li>Quality control of compound collections prior to use in biological assays</li>
<li>Quality control of finished compounds prior release to the market (drugs, food additives, preservatives, etc.)</li>
<li>Quality control for formulation optimization and definition of storage recommendations</li>
</ul>

SciY Mnova Gears – Chrom Reaction Optimization software

With this new  Automated Software Solution for Chemical Reaction Optimization from Mnova Gears, determining the ideal reaction conditions becomes an easy, hassle-free, and quick task.

<h3>Automated Software Solution for Chemical Reaction Optimization</h3>With this new Automated Software Solution for Chemical Reaction Optimization from Mnova Gears, determining the ideal reaction conditions becomes an easy, hassle-free, and quick task. Chrom Reaction Optimization allows you to track a defined set of chemicals across multiple parallel reactions to compare their levels and conclude on the best experimental conditions to employ.Set up your workflow from data pick-up to results drop-off, and scale it up as needed. Results are matched to the designed experimental points and are delivered in many formats including graphical visuals to enable quick and informed decision making.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Reaction_Optimization_software_Automate_data_processes_to_quickly_find_the_safest_most_efficient_c5ed26927d.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Reaction Optimization software: Automate data processes to quickly find the safest, most efficient, cost-effective synthetic schemes for your reactions."><blockquote><h3><a target="_blank" rel="noopener noreferrer" href="http://www2.mestrelab.com/l/271522/2024-03-25/3nwsl1">Visit Mnova Gears – Chrom Reaction Optimization product page to learn more!</a></h3></blockquote><h3>Chrom Reaction Optimization Highlights</h3><ul><li>Seamless handling of large chromatography datasets removing bottleneck related to high throughput experimentation approaches</li><li>Robust and repetitive data management workflows that will replace the tedious manual processing required for each sample</li><li>Huge time saving by enabling review-by-exception strategy</li><li>Control over results quality and easy detection and correction of errors that may occur during processing and analysis</li><li>Quick and confident decision making based on global and graphical reports with the analysis results</li><li>Structured analytical data reporting and archiving to comply with standards</li></ul><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Reaction_Optimization_software_features_a3c019c8e9.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Reaction Optimization software features."><h3>Chrom Reaction Optimization Features</h3><h4>Fully customizable and reusable analysis methods</h4><h5>Reaction optimization input, data processing, analysis, reporting and results archiving is fully customizable to fit your needs.</h5>Reaction optimization runs with the Mnova Gears platform and therefore benefits from the huge flexibility in input configuration which allows you to adapt analysis to your own data organization and formats. Input can come from disk directories or from the instrument in real time acquisition, and can be organized in many different ways. Mgears can be set to recognize and pick up the data for the analysis.<h5>On the other hand, analysis options can be customized:</h5><ul><li>Components to track/ignore</li><li>Compound matching options using structure or retention times</li><li>Analysis thresholds and controls, etc</li></ul>All analysis options can be saved, shared, and re-used in the future which allows huge time savings and robustness in the process.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Reaction_Optimization_software_Fully_customizable_and_reusable_analysis_methods_ad6b3b966c.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Reaction Optimization software: Fully customizable and reusable analysis methods."><h4>Flag system for warnings about non-conformances</h4>Analysis criteria can be defined by experts and colored flags configured to get warnings when sample analysis does not fulfill the specified requirements. For instance, a sample can be flagged when no peaks are detected, when component peaks overlap, and/or when RT variation exceeds an acceptable threshold.Detecting these non-conformances is crucial to keep control over results quality. You can review the flagged sample in the Result Viewer to investigate the problem, easily correct peak assignments if needed, and re-analyze samples to update the results.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Reaction_Optimization_software_Flag_system_for_warnings_about_non_conformances_60517716c1.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Reaction Optimization software: Flag system for warnings about non-conformances."><h4>Graphical summary of results and automatic global reports</h4>Chrom Reaction Optimization simplifies decision making by generating global and graphical reports with the analysis results. Reports are generated in multiple formats, including a dynamic html format that allows data sorting (increasing or decreasing order) and export to new reports.Quantities of reaction starting materials, products, and other declared compounds are graphically represented in charts making it easier to decide on the best reaction conditions at a glance!<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Mestrelab_Research_Mestrelab_Mnova_Gears_Chrom_Reaction_Optimization_software_Graphical_summary_of_results_and_automatic_global_reports_c5976ac1f6.jpg" alt="Mestrelab Research: Mestrelab Mnova Gears – Chrom Reaction Optimization software: Graphical summary of results and automatic global reports."><h3>Markets</h3>Academic, Government &amp; Industrial<h4>Who should be using Chrom Reaction Optimization?</h4>This Automated Software Solution for Chemical Reaction Optimization is suitable for all Organic, medicinal, and process chemists, in the following market fields:<ul><li>(bio)Pharmaceutical / Drug development and manufacturing</li><li>Food &amp; Bev industries / Synthesis of additives, flavors, etc.</li><li>Personal care and Cosmetics industry / Synthesis of preservatives, fragrances, emulsifiers, etc.</li><li>Agrochemical industry/ Synthesis of herbicides, insecticides, etc.</li><li>Polymers industry / Synthesis of new polymers</li><li>Other fine chemicals industries</li></ul>

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