<p><strong>Clarity 10.2 expands instrument control capabilities with new control modules and updates the MS extension to help you work more efficiently.</strong></p><h4><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/999"><strong>Clarity</strong></a><strong> 10.2 highlights</strong></h4><ul><li>New and updated control modules</li><li>Improved MS data import and export</li><li>Obsolete hardware support ended</li></ul><h4><strong>Instrument control modules</strong></h4><p>Clarity 10.2 introduces new instrument control modules from Annuo (AS-3117, FAS-3823) and updated instrument controls form Sykam and Ecom.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Instrument_control_modules_5de26782b0.jpg" alt="DataApex: Instrument control modules" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Instrument_control_modules_5de26782b0.jpg 228w," sizes="100vw" width="380" height="260"></p><h4><strong>MS data import/export improvements</strong></h4><p>Clarity improves MS data exchange, especially for *.cdf files. MS instruments now support export and import of multiple spectral data and non-spectral signal data in the same CDF file. Import also better handles uniform sampling information, m/z Step values, scale factors, and file names with non-ASCII characters. Exporting individual chromatogram signals from MS instruments is now available through a separate Export Chromatogram dialog.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_MS_data_import_export_improvements_a7967a4020.jpg" alt="DataApex: MS data import-export improvements" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_MS_data_import_export_improvements_a7967a4020.jpg 228w," sizes="100vw" width="378" height="259"></p><h4><strong>Obsolete hardware support terminated</strong></h4><p>Due to changes in Windows driver security requirements, this update discontinues support for obsolete hardware, including INT7, INT9, U-PAD, U-PAD2, and CB20.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Data_Apex_Obsolete_hardware_support_terminated_24d9329419.jpg" alt="DataApex: Obsolete hardware support terminated" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Data_Apex_Obsolete_hardware_support_terminated_24d9329419.jpg 228w," sizes="100vw" width="378" height="259"></p><blockquote><p><strong>Explore the complete list of all changes, fixes, and additions in version 10.2.</strong></p><p><strong>👉</strong><a target="_blank" rel="noopener noreferrer" href="https://www.dataapex.com/version_history?product=1"><strong>See the complete changelog&nbsp;</strong></a></p></blockquote>

Clarity Chromatography Software 10.2 released!

<p><strong>This study describes the development and validation of a dual-column, dual-detector HS-GC-FID/FID method for the forensic analysis of ethanol and other low-molecular-weight volatile compounds in biological samples. The method demonstrated excellent linearity, low detection limits, high precision, and accuracy, and was successfully verified through international proficiency testing.</strong></p><p>In addition to routine forensic application, the study reviews current practices in forensic alcohol analysis and highlights the lack of globally harmonized analytical standards. The authors propose essential methodological recommendations to improve the reliability and evidential value of ethanol determination in forensic toxicology.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80"><strong>Dual-Column HS-GC-FID/FID Method for In-Depth Analysis of Low-Molecular-Weight Volatile Alcohols in Postmortem Biological Material&nbsp;</strong></a></h4><p>Paweł Szpot, Olga Wachełko, Kaja Tusiewicz and Marcin Zawadzki</p><p>J. Xenobiot. 2026, 16(3), 80</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.3390/jox16030080">https://doi.org/10.3390/jox16030080</a></p><h6>licensed under <a target="_blank" rel="noopener noreferrer" href="https://creativecommons.org/licenses/by/4.0/"><strong>CC-BY 4.0</strong></a></h6></blockquote><p><strong>Selected sections from the article follow. Formats and hyperlinks were adapted from the original.</strong></p><div><p>The determination of low-molecular-weight volatile alcohols in <span>postmortem</span> material using headspace gas chromatography (HS-GC) is routinely performed in forensic laboratories. These analyses are important not only for law enforcement agencies in the broad sense, but also for insurance companies that decide on the payment of compensation under insurance policies. Typically, routine determination of alcohols such as methanol, ethanol, isopropanol, n-propanol, and n-butanol is sufficient to establish whether death occurred as a result of poisoning with these substances. In forensic toxicology practice, however, there are also situations in which the determination of additional chemical compounds in biological material proves to be essential. One such compound is acetone, the determination of which is crucial not only in cases of acetone or isopropanol poisoning (since acetone is a metabolite of the aforementioned alcohol) [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B1-jox-16-00080">1</a>], but also in the diagnosis of ketosis caused by diabetes, hypothermia, or starvation [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B2-jox-16-00080">2</a>]. Criminal cases can be complex, and therefore, to achieve a better understanding of the circumstances preceding death, toxicological analyses are sometimes extended to also include other compounds, such as acetaldehyde [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B3-jox-16-00080">3</a>].</p><p><span>Postmortem</span> blood toxicological analysis is of particular importance because it plays a key role in determining the cause of death, especially in cases of unexplained sudden death and deaths occurring under suspicious circumstances. Even a simple screening for volatile chemical compounds can, at an early stage, allow determination of whether death resulted from poisoning or was a consequence of an underlying disease suffered by the deceased (e.g., untreated diabetes) [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B4-jox-16-00080">4</a>].</p><p>One of the fundamental assumptions in forensic toxicological investigations is that their results must have evidential value and withstand scrutiny in court. Only such results can be used, for example, to reconstruct the circumstances preceding death, determine the time of substance intake or the dose of a toxic agent, or assess whether the deceased was intoxicated. This is particularly important in cases of traffic accidents, occupational accidents, drownings, domestic violence, and deaths occurring during police custody. It is worth emphasizing that the interpretation of <span>postmortem</span> toxicological results requires particular caution due to the multitude of “confounding” factors, such as interindividual variability, substance stability, endogenous formation, the postmortem interval (PMI), and the circumstances of death. To avoid introducing additional variables that could further complicate interpretation, the applied analytical method must be reliable, i.e., accurate, selective, resistant to interference, and preferably verified through independent proficiency testing [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B5-jox-16-00080">5</a>].</p><p>In gas chromatographic analysis of low-molecular-weight alcohols, either direct injection or the headspace technique is employed [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B6-jox-16-00080">6</a>]. In the past, even highly invasive approaches were used, such as the direct injection of whole blood into the gas chromatograph injector [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B7-jox-16-00080">7</a>]. However, the headspace technique has become the most widely used technique for the determination of alcohols in forensic laboratories. This preference can be attributed to several well-established advantages, most notably that the method allows the sample to be analyzed with minimal or no preparatory steps, irrespective of the biological matrix (e.g., without extraction or protein precipitation). Additional benefits include practically negligible matrix effects, elimination of the need for inlet liners, thereby minimizing the risk of contamination or carryover within the analytical system, and reduced deterioration of the chromatographic column compared with direct injection.</p><p>However, it should be noted that in the context of postmortem samples (particularly those collected from putrefied cadavers), the impact of decomposition on analyte partitioning cannot be precisely assessed. While headspace analysis generally exhibits negligible matrix effects, pre-death specimens from the same individual are rarely available for direct comparison, making it difficult to determine the extent to which postmortem changes might influence measurements. Moreover, the blood samples are subjected to multiple dilutions with an internal standard, which further minimizes potential matrix effects.</p><p>Despite numerous established methods for the determination of volatile alcohols in postmortem biological samples, current standard approaches often face limitations that can compromise forensic reliability. Single-column analyses may be prone to co-elution and interferences from structurally similar compounds, while reliance on a single detector increases the risk of undetected fluctuations and errors. Additionally, inappropriate selection of internal standards and postmortem formation of endogenous alcohols and other volatile compounds can further bias quantification. These issues highlight a critical gap, as widely adopted methods that integrate redundant analytical controls with validated procedures to minimize errors and ensure evidential reliability remain limited.</p><p>The aim of this study was to develop a method for the determination of methanol, acetone, ethanol, n-propanol, isopropanol, and n-butanol using headspace gas chromatography with dual columns and dual-flame ionization detectors. The practical applicability of the method was demonstrated using authentic forensic samples, including putrefaction fluid and antemortem blood. This study addresses the aforementioned gap by employing a dual-column/dual-FID approach, which allows cross-verification across two independent chromatographic conditions, thereby enhancing both the accuracy and reproducibility of forensic alcohol analysis. Furthermore, this paper aims to draw the attention of toxicologists worldwide to several critical factors that can significantly influence measured ethanol concentrations, potentially leading to legal and financial consequences, such as denial of compensation due to falsely elevated ethanol levels.</p><h4><strong>2. Materials and Methods</strong></h4><h5><strong>2.4. Apparatus</strong></h5><p>A <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=2010"><strong>Shimadzu GC-2010</strong></a> Plus AF IVD system (Kyoto, Japan), fitted with an advanced flow controller (AFC), a split/splitless (SPL) inlet, and two flame ionization detectors (FID), was employed. Samples were processed and introduced via a <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=1&amp;search=HS-20"><strong>Shimadzu HS-20 static headspace autosampler</strong></a> (Kyoto, Japan), with transfer to the GC through a single SPL inlet. The HS effluent was split equally (1:1) using a SilFlow<sup>®</sup> microfluidic platform (SHI-980-10593, Trajan, Ringwood, VIC, Australia) and directed onto two capillary columns: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=50&amp;search=Zebron-BAC1"><strong>Zebron-BAC1</strong></a> (30 m × 0.32 mm i.d., 1.8 μm film; Phenomenex, Torrance, CA, USA) and Zebron-BAC2 (30 m × 0.32 mm i.d., 1.2 μm film; Phenomenex, Torrance, CA, USA). Each column fed an independent FID channel, allowing concurrent acquisition from both separations. Headspace settings and chromatographic conditions for alcohol congener analysis followed those reported previously in [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B8-jox-16-00080">8</a>].</p><h4><strong>3. Results</strong></h4><p>Validation results are shown in <a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#table_body_display_jox-16-00080-t002">Table 2</a>. All presented values fall within the acceptable range for toxicological analysis of biological materials, in accordance with the recommendations of the German Society of Toxicological and Forensic Chemistry (GTFCh) [<a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#B10-jox-16-00080">10</a>]. Quality-control samples were prepared at three concentrations (low, medium, and high relative to the calibration range) by spiking blank samples. Relative error (RE) values within ±15% and precision expressed as relative standard deviation (RSD) ≤ 15% were considered acceptable, in accordance with GTFCh recommendations. The method, developed in 2019, has been subjected to international proficiency testing for ETB Ethanol in blood (ARVECON) and has consistently achieved positive results in each test. Additionally, the developed method for the determination of ethyl alcohol in blood was evaluated and achieved positive results in other proficiency tests, namely: the AXIO LGC Proficiency Testing Scheme in Drugs in blood Quantitative analyte selection, PT-TX-BLD (accreditation ISO/IEC 17043) (LGC Group Limited, Guildford, UK). Furthermore, the HS-GC-FID/FID method has been successfully implemented for routine toxicological analysis in our laboratory during the past 6 years.&nbsp;</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/J_Xenobiot_2026_16_3_80_Table_2_Validation_results_for_six_quantified_volatile_compounds_methanol_ethanol_acetone_isopropanol_n_propanol_and_n_butanol_64ddd30e8d.jpg" alt="J. Xenobiot. 2026, 16(3), 80: Table 2. Validation results for six quantified volatile compounds: methanol, ethanol, acetone, isopropanol, n-propanol, and n-butanol. " srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_J_Xenobiot_2026_16_3_80_Table_2_Validation_results_for_six_quantified_volatile_compounds_methanol_ethanol_acetone_isopropanol_n_propanol_and_n_butanol_64ddd30e8d.jpg 180w," sizes="100vw" width="1238" height="1073"></p><p>Chromatograms of all compounds analyzed using the presented method, collected on two columns (Zebron ZB-BAC1 and Zebron ZB-BAC2), are shown in <a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#fig_body_display_jox-16-00080-f001">Figure 1</a>. During routine toxicological examinations, we analyzed various biological fluids, including standard matrices such as whole blood, serum, plasma, vitreous humor, and urine, as well as less commonly studied matrices such as bile, putrefaction fluid, and gastric contents.&nbsp;</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/J_Xenobiot_2026_16_3_80_Figure_1_Chromatograms_of_ISTD_and_LOQ_of_volatile_compounds_obtained_from_two_columns_3826b6b870.jpg" alt="J. Xenobiot. 2026, 16(3), 80: Figure 1. Chromatograms of ISTD and LOQ of volatile compounds obtained from two columns (Zebron ZB-BAC1 and Zebron ZB-BAC2) and two flame ionization detectors. The retention time of tert-butanol (ISTD) on the first column was 2.848, and on the second it was 3.131. " srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_J_Xenobiot_2026_16_3_80_Figure_1_Chromatograms_of_ISTD_and_LOQ_of_volatile_compounds_obtained_from_two_columns_3826b6b870.jpg 236w," sizes="100vw" width="1600" height="1056"></p><p>Chromatograms from representative authentic cases are shown in <a target="_blank" rel="noopener noreferrer" href="https://www.mdpi.com/2039-4713/16/3/80#fig_body_display_jox-16-00080-f002">Figure 2</a>, including putrefaction fluid (containing 0.4‰ of ethanol) compared with a standard whole blood sample containing 1.38‰ ethanol.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/J_Xenobiot_2026_16_3_80_Figure_2_A_Chromatograms_of_putrefaction_fluid_with_ethanol_concentration_of_0_4_B_chromatograms_of_antemortem_blood_sample_with_ethanol_concentration_of_1_38_fe782ce3d1.jpg" alt="J. Xenobiot. 2026, 16(3), 80: Figure 2. (A) Chromatograms of putrefaction fluid (with ethanol concentration of 0.4‰); (B) chromatograms of antemortem blood sample (with ethanol concentration of 1.38‰). Results were provided for both columns: Zebron ZB-BAC1 and Zebron ZB-BAC2." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_J_Xenobiot_2026_16_3_80_Figure_2_A_Chromatograms_of_putrefaction_fluid_with_ethanol_concentration_of_0_4_B_chromatograms_of_antemortem_blood_sample_with_ethanol_concentration_of_1_38_fe782ce3d1.jpg 245w," sizes="100vw" width="1600" height="453"></p><h4><strong>5. Conclusions</strong></h4><p>The findings presented in this study demonstrate that reliable forensic determination of ethanol and other volatile compounds requires a comprehensive analytical strategy that extends beyond routine instrumental analysis. Despite the long-standing use of alcohol determinations in forensic practice, significant methodological limitations persist, particularly with respect to selectivity, internal standard selection, and control of pre-analytical and analytical variables. Based on a critical evaluation of currently published methods and supported by experimental evidence and authentic forensic casework, several key methodological principles emerge as essential for ensuring the evidential reliability of ethanol analysis in forensic toxicology. These principles are summarized below:</p><div><ul><li>Using two columns with different polarities combined with two detectors.</li><li>Avoiding internal standards such as n-propanol, n-butanol, and other substances that are formed <span>postmortem</span> in forensic investigations.</li><li>Utilizing tert-butanol as an internal standard in forensic toxicological practice.</li><li>Analysis of quality-control (QC) concentrations defined by law for DUI threshold limits, with verification that precision and accuracy remain within acceptable ranges.</li><li>Ensuring that sample preparation is performed in facilities free from exposure to airborne organic solvent vapors, particularly methanol and ACN (which are routinely used for protein precipitation in other toxicological analyses).</li><li>Preparation of analytical batches including two replicates of each sample, analyzed in a forward- and reverse-order sequence (e.g., samples 1–5 followed by 5–1) to verify analytical consistency.</li><li>Verification of internal standards and blank samples in each batch to ensure the absence of contamination during the pre-analytical phase.</li><li>Ensuring compliance with the acceptance criterion of a maximum 5% deviation between results, based on four measurements per sample.</li><li>Careful chromatographic evaluation and critical assessment of peak shape, symmetry, and resolution to minimize the risk of undetected interferences, particularly when using detectors such as FID, where retention time is the sole discriminating parameter.</li><li>Routine performance of independent proficiency tests to assess whether the method meets required accuracy and precision standards.</li><li>Biological fluids intended for forensic toxicology testing should be collected in tubes containing sodium fluoride (NaF) and stored under controlled conditions in a refrigerator maintained at 2–8 °C.</li></ul></div></div>

Dual-Column HS-GC-FID/FID Method for In-Depth Analysis of Low-Molecular-Weight Volatile Alcohols in Postmortem Biological Material

<p><strong>In the week of June 29, the following webinars await you in the field of gas / solid phase and especially Raman, FTIR, GC and GC/MS.</strong></p><blockquote><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinars"><strong>👉 DETAILS AND REGISTRATION IN THE WEBINARS SECTION</strong></a></h4><p><strong>👉 Search and filter in the largest global database</strong> with over <strong>5 500 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><h5><strong>1. Metrohm: Simplifying Through-Container Testing with Raman Spectroscopy in the Pharmaceutical Industry</strong></h5><ul><li>Mo, 29.6.2026 15:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6308">Registration</a></li></ul><p>In this webinar, we will demonstrate a more robust and practical alternative to SORS for see-through Raman analysis.</p><h5><strong>2. SelectScience: End-to-end PAT: Connecting advanced analytics and data across the bioprocess lifecycle</strong></h5><ul><li>Mo, 29.6.2026 16:00 CEST</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/6307">Registration</a></li></ul><p>Learn how integrated PAT strategies combining NMR, Raman, IR, and digital workflows enable continuous process understanding, smoother tech transfer, and QbD from development to GMP manufacturing.</p>

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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 focused on GC/MSD distributed by SciY/Mestrelab Research - page 1

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