<p><strong>Although modern agriculture needs to be based on accurate real-time data on soil, plant, and environmental conditions, affordable, sufficiently sensitive, and robust monitoring devices for this purpose are currently missing. According to scientists, low-cost sensors based on new smart materials and printing technologies offer a suitable solution. The results of multidisciplinary research thus far and proposals for the development of these devices have been presented by researchers from Czechia, Great Britain, Spain, and the USA in a review article in the prestigious journal </strong><a target="_blank" rel="noopener noreferrer" href="https://www.nature.com/articles/s41467-026-68778-6#Abs1"><i><strong>Nature Communications</strong></i></a><strong>.</strong></p><p>“<i>Sensor technologies for monitoring plant health are still in their infancy. Only simple sensors capable of monitoring basic parameters such as pH, soil moisture, or temperature are commonly available on the market. However, if farmers are to face current challenges, including climate change, and ensure sufficient food for humanity, they need much more effective tools that will enable them to monitor, for example, various pathogens, including bacteria and fungi. In our opinion, a suitable solution is a combination of new smart materials and printing for the production of inexpensive, durable, and scalable materials</i>,” said the article’s first author, <strong>David Panáček</strong> from CATRIN, who worked on the study during his internship at Imperial College London.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/CATRIN_Soucasne_senzory_nestaci_Vedci_navrhuji_novou_cestu_ke_sledovani_zdravi_rostlin_b4014952a3.jpg" alt="CATRIN: David Panáček" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_CATRIN_Soucasne_senzory_nestaci_Vedci_navrhuji_novou_cestu_ke_sledovani_zdravi_rostlin_b4014952a3.jpg 208w," sizes="100vw" width="1536" height="1152"></p><p>Sensors for monitoring plant health, for example, lag behind similar devices used in human medicine. According to the authors, advances in materials science, which will enable the development of scalable sensor technologies, play a key role in this potential shift. “<i>Printing techniques, including inkjet printing, screen printing, aerosol printing, 3D printing, and direct laser writing, offer flexible ways to produce flexible sensors, large-area sensors, and sensors integrated directly into plants. The review article summarizes recent advances in printable low-dimensional materials for agricultural sensors, analyzes their physico-chemical properties in relation to sensor performance, and discusses key challenges and future opportunities requiring interdisciplinary integration</i>,” said one of the corresponding authors, <strong>Michal Otyepka</strong>.</p><p>The research brought together materials scientists, chemists, biologists, sensing experts, and printing technology specialists. Materials research and the use of graphene-based smart materials were led by scientists from CATRIN at Palacký University and VŠB-Technical University of Ostrava. Plant biologists from CATRIN contributed their knowledge of plant development, their responses to stress conditions, and the monitoring of their properties. Researchers from Imperial College London took care of the electronics, while representatives from<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/36"><strong> CEITEC – VUT</strong></a> focused on printing technologies. The team also included leading experts in sensing from the Catalan Institute of Nanoscience and Nanotechnology in Barcelona, and Joseph Wang of the University of California San Diego, the “father of sensing and electrochemistry,” also contributed his extensive knowledge.</p><p>“<i>This is a groundbreaking study on this topic, which has managed to attract some truly big names in their respective fields. Last but not least, the study demonstrates that interdisciplinarity at CATRIN gives rise to completely new and promising research topics, such as plant sensing and its use for studying plant-environment interactions and smart agriculture,</i>” added another corresponding author, <strong>Nuria De Diego</strong>.</p>

Current sensors are not good enough. Scientists propose a new way to monitor plant health

<p><strong>In the week of February 16, 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>5 000 GC, LC, MS and spectroscopy webinars</strong>.</p></blockquote><div><div><div><div><div><div><h5><strong>1. Agilent Technologies: Small Size, Big Impact – High-Performance Benchtop GC and GC/MS with the Agilent 8850 GC</strong></h5><ul><li>Tu, 17.2.2026 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5723">Registration</a></li></ul><p>Discover how the Agilent 8850 GC, compatible with single and triple quadrupole MS, reduces bench space, utilities, and run time while delivering high-performance GC and GC/MS analysis.</p><h5><strong>2. Wasson-ECE Instrumentation: Dynamic Blender</strong></h5><ul><li>Tu, 17.2.2026 21:30 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5745">Registration</a></li></ul><p>Learn how the Dynamic Blender dilutes standards with carrier gas to generate accurate multi-point calibrations from single gas cylinders.</p><h5><strong>3. Waters Corporation: Ask Me Anything About Managing Computerized System Risks to Data Integrity</strong></h5><ul><li>Th, 19.2.2026 17:00 CET</li><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/webinar/5809">Registration</a></li></ul><p>Learn practical strategies for managing computerized system risks in regulated laboratories to protect data integrity, ensure compliance, and avoid regulatory findings.</p></div></div></div></div></div></div>

Webinars LabRulezGCMS Week 08/2026

<p><strong>This laboratory experiment introduces undergraduate chemistry students to headspace GC–MS through a forensic toxicology framework. Students analyze common volatile compounds such as ethanol, isopropanol, acetone, and 1,1-difluoroethane while learning key concepts in gas chromatography, mass spectrometry, calibration, and data evaluation.</strong></p><p>Participants prepare calibrators and controls, quantify ethanol, and assess qualitative analytes in a simulated vitreous humor sample using objective acceptance criteria. Implemented over three semesters with a &gt;92% success rate, the experiment is adaptable to different course levels and resources. Headspace GC–MS offers additional advantages, including minimal sample preparation and reduced instrument maintenance.</p><blockquote><h4><strong>The original article</strong></h4><h4><a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jchemed.5c00118"><strong>Introducing Headspace Gas Chromatography–Mass Spectrometry to Undergraduate Chemistry Students from a Forensic Toxicology Perspective</strong></a></h4><p>Devin C. Baer, and Michele M. Crosby*</p><p>J. Chem. Educ. 2026, 103, 1, 441–448</p><p><a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acs.jchemed.5c00118">https://doi.org/10.1021/acs.jchemed.5c00118</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>Gas chromatography–mass spectrometry (GC-MS) is widely used across chemistry disciplines, from analysis of biodiesel feedstocks to pesticides residues in vegetables and even two-dimensional GC (GC × GC) such as GC × GC time-of-flight mass spectrometry (GC × GC-TOFMS) in forensic science applications. <a href="javascript:void(0);">(4−6)</a> The two-dimensional GC of the GC × GC-TOFMS can provide more optimized separation of analytes compared to one-dimensional GC and the time-of-flight (TOF) mass analyzer is an alternative to the quadrupole discussed earlier in this section. <a href="javascript:void(0);">(6)</a> In the environmental field, GC-MS can be used to detect pollutants related to microplastics and pesticide residues. <a href="javascript:void(0);">(7,8)</a> GC-MS and GC tandem mass spectrometry (GC-MS/MS) is useful in food safety and quality assurance because of its ability to detect contaminants and assess ingredient quality. <a href="javascript:void(0);">(9,10)</a> GC-MS, including GC × GC-TOFMS and GC-MS/MS, is used in characterization of coal-derived liquids and petroleum exploration. <a href="javascript:void(0);">(11,12)</a> In forensics, these types of instrumentation are used to identify residues, like fire accelerants, explosive residues, or drugs at a crime scene, and to identify drugs, poisons, or other substances in biological samples. <a href="javascript:void(0);">(1,6,13)</a> In summary, a fundamental understanding of GC-MS will lend itself tremendously to any potential career field or discipline that may interest an undergraduate chemistry student.</p><p>In one application of headspace GC-MS, an aliquot of the biological sample is diluted with an internal standard solution and placed in a sealed glass vial. <a href="javascript:void(0);">(1,14)</a> The internal standard solution is a saline-based solution that optimizes the evaporation (sometimes called “salting out”) of the volatile compounds into the headspace portion of the vial, and it contains a compound that is similar in chemical structure to the analyte(s) of interest, The glass vial is heated to separate the volatile compounds from the biological matrix, and a sample of the headspace vapor containing the volatile compound is taken. <a href="javascript:void(0);">(1,14)</a> The concentration of the volatile analyte in the dilute aqueous sample is directly proportional to the concentration of the volatile analyte in the gas phase, or headspace, above the liquid. <a href="javascript:void(0);">(14)</a> Internal standard solution is added to a sample to give an indication of the extraction quality and aids in the concentration determination. The same concentration of the internal standard is added to the calibrators, controls, and case samples in a batch. <a href="javascript:void(0);">(1)</a> The ratio of the analyte response to the internal standard response is the most important factor to consider, not the absolute value of the analyte, in determining the concentration (or the qualitative presence/absence) of the analytes. By using this ratio, students can account for differences in analyte responses due to variables like extraction recovery, matrix effects, and injection volume. <a href="javascript:void(0);">(1,2)</a></p><h4><strong>Relevance to Forensic Toxicology</strong></h4><p>Currently, very few published experiments exist for undergraduates involving forensic toxicology, <a href="javascript:void(0);">(15)</a> and even fewer involve volatile analysis. <a href="javascript:void(0);">(16)</a> Forensic toxicology laboratories routinely analyze samples for the presence of ethanol, methanol, acetone, and isopropanol. <a href="javascript:void(0);">(1)</a> Cases involving driving under the influence (DUI) and homicides are just a few examples targeted by these types of laboratories. <a href="javascript:void(0);">(1,17−20)</a> Ethanol, commonly referred to as alcohol, is the main type of alcohol found in alcoholic beverages and is considered the most commonly encountered substance in forensic toxicology casework. <a href="javascript:void(0);">(1)</a> In the U.S., most states have established a per-se limit for the blood alcohol concentration for drivers of 0.08 g/dL and violating this law could lead to prosecution for driving under the influence. Ethanol is also frequently encountered in post-mortem cases, such as homicides, traffic accidents, and alcohol poisonings. However, it is important to consider when interpreting ethanol concentrations that ethanol can be produced in the body after death by microorganisms breaking down the body. <a href="javascript:void(0);">(1)</a> Certain types of specimens collected after death, such as urine and vitreous humor (clear fluid inside the eye), are more resistant to this phenomenon and can be used to help determine antemortem ethanol consumption versus post-mortem production. <a href="javascript:void(0);">(1)</a> Isopropanol can be found in rubbing alcohol, so it is recommended that a different kind of antiseptic be used to clean the skin before a blood draw for a DUI. Isopropanol can also be found in various household cleaning products. It is also important in post-mortem forensic toxicology as it may be abused by chronic users or accidentally ingested. <a href="javascript:void(0);">(1,19,20)</a> Acetone is important as it is ta product of the metabolism of isopropanol, but it is also produced endogenously. High levels of acetone may be an indication of uncontrolled diabetes, so it is very important in post-mortem casework. <a href="javascript:void(0);">(1,20)</a> Methanol, sometimes known as wood alcohol, can be encountered in forensic toxicology casework, as it is found in improperly distilled alcoholic beverages and many household products. Methanol poisoning can be fatal due to the formation of the metabolite formaldehyde. Furthermore, methanol can be an artifact seen in embalmed specimens. <a href="javascript:void(0);">(1)</a></p><p>While forensic toxicology laboratories use headspace gas chromatography–flame ionization (GC-FID) detection more commonly for the quantitation of volatile compounds, headspace GC-MS is a gold standard for identifying and confirming other types of volatile compounds such as 1,1-difluoroethane (DFE). DFE is commonly found in keyboard cleaners and has the potential for abuse, which is why forensic toxicology laboratories need the ability to detect it. DFE has been detected in driving under the influence cases as it has become anabused inhalant, due to the cheap cost and ease of access. <a href="javascript:void(0);">(17,18)</a></p><p>The University of Tampa possesses a GC-MS equipped with a headspace autosampler; therefore, GC-MS was used rather than GC-FID for this experiment. Furthermore, GC-MS was strategically chosen to give students more practice with complicated data analysis provided by GC-MS in SIM mode. It is important to note that methanol was not chosen as a target for this experiment because of the difficulty in finding enough unique ions without interference from common environmental molecules.</p><h4><strong>Materials and Reagents</strong></h4><p>The following were purchased from Fisher (Hampton, NH): ethanol, acetone, and isopropanol. Endust for Electronics (Buffalo, NY) multi-purpose duster was used for the DFE standard. 20 mL headspace vials and caps were purchased from PerkinElmer (Waltham, MA). A DB-624 column (20 m × 0.18 mm × 1.00 μm) was purchased from Agilent (Santa Clara, CA). The instrument used in this experiment was an <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=6890N"><strong>Agilent 6890N gas chromatograph</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library?mainauthorItems=10&amp;search=5973N"><strong>5973N mass spectrometer</strong></a> (operated in SIM mode) with a Gerstel MPS2 multipurpose autosampler (see <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jchemed.5c00118#tbl1">Table 1</a> for additional instrument parameters). Helium was used as a carrier gas. A 2.5 mL Hamilton CTC and LEAP technologies GC PAL autosampler syringe: gastight was used.</p><h4><strong>Results and Discussion</strong></h4><p>There was a total of 43 students enrolled in the course over 3 semesters with an average grade on the assignment of 83 ± 11%. As part of this assignment, students quantitated ethanol concentrations and qualitatively identified acetone or isopropanol. One student did not complete the assignment as instructed and did not provide appropriate results for the analytes; therefore, the following data were compiled for 42 students unless otherwise stated. Of note, DFE is a recent addition to the experiment and was not used in previous semesters. It has been evaluated and determined to be a suitable qualitative compound for this experiment as an alternative or in addition to acetone and isopropanol. Additional information is provided below as part of the potential modifications to the experiment. It should also be highlighted that this course and thus this experiment are designed to prepare students for a career in forensic science based on feedback and advice from forensic science agencies. It mimics laboratory training and proficiency testing that forensic science analysts must undergo before being approved to conduct casework analyses. Therefore, the success of the experiment was determined by the student’s ability to report accurate results rather than student survey data or feedback.</p><p>The representative retention times are shown in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jchemed.5c00118#fig1">Figure 1</a> for ethanol, acetone, isopropanol, and <i>tert</i>-butanol (internal standard). DFE was also included in the figure for easy reference. The peak that appears before DFE in <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jchemed.5c00118#fig1">Figure 1</a> represents a small volatile compound that appeared in all samples, including airblanks. If DFE is not used in the experiment, then it is recommended to include a solvent delay of 1 min. The average retention time of ethanol over 3 semesters (<i>n</i> = 42) was 1.60 ± 0.01 min. Acetone’s average retention time was 1.89 ± &lt;0.01 min. Isopropanol’s average retention time was 2.00 ± 0.01 min. The average retention time of <i>tert</i>-butanol was 2.37 ± 0.02 min. See <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jchemed.5c00118#tbl2">Table 2</a> gives a summary of the average retention times for each volatile compound. Of note, the variation of retention time primarily occurred between semesters due to routine annual maintenance. All 42 students’ data passed the calibration acceptance criteria with an average <i>R</i><sup>2</sup> value of the ethanol calibration curve of 0.995 ± 0.004 over 3 semesters (<i>n</i> = 42). <a target="_blank" rel="noopener noreferrer" href="https://pubs.acs.org/doi/10.1021/acs.jchemed.5c00118#fig2">Figure 2</a> shows the chromatograms produced by the SIM analysis of each volatile compound. This figure is an example of one of the components produced in the report generated by students during data processing, where students use these mass spectral data to evaluate and report data.</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/J_Chem_Educ_2026_103_1_441_448_Figure_1_Example_total_ion_chromatogram_of_volatile_compounds_and_retention_times_fa3c745c20.jpeg" alt="J. Chem. Educ. 2026, 103, 1, 441–448: Figure 1. Example total ion chromatogram of volatile compounds and retention times." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_J_Chem_Educ_2026_103_1_441_448_Figure_1_Example_total_ion_chromatogram_of_volatile_compounds_and_retention_times_fa3c745c20.jpeg 225w," sizes="100vw" width="1500" height="1041"></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/J_Chem_Educ_2026_103_1_441_448_Figure_2_Example_SIM_ions_of_each_volatile_compound_fd665d9c8c.jpeg" alt="J. Chem. Educ. 2026, 103, 1, 441–448: Figure 2. Example SIM ions of each volatile compound." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_J_Chem_Educ_2026_103_1_441_448_Figure_2_Example_SIM_ions_of_each_volatile_compound_fd665d9c8c.jpeg 245w," sizes="100vw" width="1500" height="613"></p><h4><strong>Conclusion</strong></h4><p>Students met learning outcomes and gained fundamental instrumental knowledge and hands-on experience through this experiment as they explored the concepts of chromatography and mass spectrometry. While students who completed this experiment had previous experience with GC-MS, this experiment introduced a new way of generating data reports. Students had to explain their conclusions based on these data reports as part of their postlab assignment, which provided firsthand practice of data analysis and communication skills. Trends in student results indicated that the experiment is very robust and reproducible, leading to a high success rate for students. This experiment offers a variety of modifications for instructors based on the number of students, student skill level, and resources available.</p></div>

Introducing Headspace Gas Chromatography–Mass Spectrometry to Undergraduate Chemistry Students from a Forensic Toxicology Perspective

Article

Webinars

Scientific article

Toxicology

Science and research

The Czech Advanced Technology and Research Institute (CATRIN) at Palacký University is a cutting-edge scientific hub dedicated to advancing research in the fields of nanotechnology, biotechnology, and biomedicine. At its core, CATRIN boasts outstanding scientific teams, featuring international researchers. We emphasize interdisciplinarity, foster global collaborations, and work to translate our research findings into practical applications.

CATRIN

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

LabRulez

Mestrelab Mnova MSChrom software

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

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


Mestrelab Mnova Gears – Chrom Best Method software

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

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


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

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