<p><strong>At MSACL 2025, a Thermo Fisher Scientific–sponsored workshop led by Qin Fu addressed one of the most persistent challenges in proteomics: how to efficiently and reproducibly translate biomarker discoveries into clinically meaningful assays. Drawing on experience spanning academia and industry—including prior work in Jennifer Van Eyk’s lab—Fu shared practical insights into building a scalable, end-to-end biomarker discovery-to-validation pipeline.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Accelerating_Biomarker_Discovery_and_Validation_From_Discovery_to_Clinical_Utility_9558364cf2.jpg" alt="Thermo Fisher Scientific: Accelerating Biomarker Discovery and Validation: From Discovery to Clinical Utility" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Accelerating_Biomarker_Discovery_and_Validation_From_Discovery_to_Clinical_Utility_9558364cf2.jpg 245w," sizes="100vw" width="1024" height="512"></p><p>The session highlighted how emerging mass spectrometry technologies, automation, and informatics are reshaping biomarker research—reducing complexity, improving reproducibility, and accelerating the path to clinical utility.</p><h3><strong>The three tiers of biomarker assays</strong></h3><p>The workshop opened with a review of the widely accepted three-tier framework that guides biomarker development from early discovery through clinical validation:</p><h4><strong>Tier 3 – discovery</strong></h4><p>Exploratory, untargeted workflows such as data-dependent acquisition (DDA) and data-independent acquisition (DIA). These approaches prioritize breadth, enabling the identification of large-magnitude biological changes across hundreds to thousands of analytes, typically with low-to-moderate precision and without internal standards.</p><h4><strong>Tier 2 – verification</strong></h4><p>Research-grade targeted assays, including parallel reaction monitoring (PRM) and multiple reaction monitoring (MRM). These methods focus on tens to hundreds of analytes, delivering improved precision and repeatability to confirm trends observed during discovery.</p><h4><strong>Tier 1 – validation</strong></h4><p>Clinically validated assays designed to meet rigorous quality and regulatory standards. These workflows incorporate internal standards and strict quality controls to ensure quantitative reproducibility suitable for clinical and translational use.</p><p>Each tier represents a critical step toward ensuring that biomarker candidates can ultimately deliver reliable patient benefit.</p><h3><strong>The central challenge: from sample to signal</strong></h3><p>Reliable biomarker development depends on consistency across the entire analytical workflow—from biological sample preparation to mass spectrometry data acquisition and downstream analysis. Every step introduces potential sources of variability, and minimizing this analytical noise while preserving biological signal is essential.</p><p>Automation emerged as a central theme of the workshop. Beyond improving throughput, automation fundamentally enhances reproducibility. Robotic sample preparation reduces variability associated with digestion, pipetting, and handling—enabling consistent performance across hundreds or thousands of samples, a scale that is difficult to achieve manually.</p><h3><strong>Technological innovation powering a paradigm shift</strong></h3><p>Recent advances in mass spectrometry are enabling researchers to bridge the gap between discovery and validation more efficiently than ever before. The workshop highlighted several Thermo Fisher Scientific platforms driving this shift:</p><ul><li><strong>Thermo Scientific Orbitrap Astral mass spectrometer</strong><br>Optimized for discovery workflows, the Astral system delivers rapid acquisition and deep proteome coverage while maintaining high precision across large cohorts.</li><li><strong>Thermo Scientific Stellar platform</strong><br>Designed for high-throughput targeted quantification, the Stellar platform supports scalable PRM workflows. Features such as PRM Conductor enable adaptive retention time tracking, which is essential for robust performance in large studies.</li><li><strong>Thermo Scientific OptaSpray Ion Source (under evaluation)</strong><br>A hands-free ionization source designed to deliver consistent spray performance with simplified maintenance, supporting reproducibility across thousands of injections.</li></ul><p>Together, these technologies create a smoother continuum across assay tiers, shortening timelines and reducing barriers to clinical translation.</p><h3><strong>Case study: Inflammatory bowel disease (IBD) cohort</strong></h3><p>A key highlight of the presentation was a large-scale biomarker study in inflammatory bowel disease (IBD). The team conducted a 500-sample discovery analysis, followed by validation in a 1,000-sample cohort. Discovery was performed using the Orbitrap Astral system, while targeted validation employed the Stellar platform.</p><p>This integrated approach successfully confirmed established biomarkers such as C-reactive protein (CRP) while also identifying novel protein candidates with strong translational potential. Importantly, these markers demonstrated consistency across discovery and validation data sets—underscoring the power of advanced instrumentation combined with robust workflows and informatics.</p><h3><strong>From high quantity to high quality</strong></h3><p>Historically, biomarker discovery has involved a tradeoff between throughput and data quality. The workshop demonstrated that this compromise is no longer necessary. By integrating automated sample preparation, optimized informatics, and next-generation mass spectrometry, researchers can now generate high-quality, high-throughput data that is both scalable and reproducible.</p><p>This shift enables faster discovery while increasing confidence that candidate biomarkers are ready for downstream validation and clinical follow-up.</p><h3><strong>The future of biomarker translation</strong></h3><p>The workshop concluded on an optimistic note. Innovations in proteomics are fundamentally transforming biomarker development—shortening timelines, reducing costs, and accelerating the transition from discovery to clinical application.</p><p>By integrating platforms such as Orbitrap Astral, Stellar, and OptaSpray, Thermo Fisher Scientific is helping advance a new era of translational biomarker science—where precision, scalability, and reliability work together to deliver meaningful clinical impact.</p><p><i>Watch the full workshop recording to </i><a target="_blank" rel="noopener noreferrer" href="https://www.youtube.com/watch?v=ziyffQzZTwk"><i>explore the data, workflows, and results behind this end-to-end approach to biomarker discovery and validation.</i></a></p><h3><strong>Intended use disclaimer</strong></h3><p>General Laboratory Equipment – Not For Diagnostic Procedures.<br>Thermo Scientific general laboratory equipment, consumables, and software are intended for research, academic, and industrial use only. These products are not designed, validated, or approved for in vitro diagnostic or clinical use. Use of these products for diagnostic purposes may result in inaccurate results and potential health and safety risks.</p><h3><strong>Resources</strong></h3><p><strong>Workshop &amp; educational content</strong></p><ul><li>MSACL 2025 workshop recording: <a target="_blank" rel="noopener noreferrer" href="https://www.youtube.com/watch?v=ziyffQzZTwk"><i><strong>Accelerating Biomarker Discovery and Validation</strong></i></a></li><li>Other MSACL workshop recordings <i>coming soon</i></li></ul><p><strong>Thermo Fisher Scientific Product Pages</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/2207"><strong>Thermo Scientific TSQ Certis Mass Spectrometer</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/836"><strong>Thermo Scientific Orbitrap Astral Mass Spectrometer</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1149"><strong>Thermo Scientific Stellar Mass Spectrometer</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/order/catalog/product/B51004132">Thermo Scientific OptaSpray Ion Source</a></li><li><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/mass-spectrometry/mass-spectrometer-price-affordability-programs.html">Mass spectrometer affordability programs</a> (Refurbished MS, trade-in, financing/ leasing)</li></ul><p><strong>Peer-Reviewed Literature</strong></p><ul><li>Baker ES et al. <a target="_blank" rel="noopener noreferrer" href="https://europepmc.org/article/MED/22943415"><i>Mass spectrometry for translational proteomics: progress and clinical implications.</i></a> Genome Medicine (2012).</li><li>Fu Q et al. <a target="_blank" rel="noopener noreferrer" href="https://academic.oup.com/clinchem/article/62/1/198/5611803"><i>An Empirical Approach to Signature Peptide Choice for Selected Reaction Monitoring.</i></a> Clinical Chemistry (2016).</li><li>Fu Q et al. <a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1002/mas.21750"><i>Automated proteomic sample preparation: The key component for high throughput and quantitative mass spectrometry analysis.</i></a> Mass Spectrometry Reviews (2023).</li><li>Fu Q et al. <a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1021/acs.jproteome.7b00623"><i>Highly Reproducible Automated Proteomics Sample Preparation Workflow for Quantitative Mass Spectrometry.</i></a> Journal of Proteome Research (2018).</li><li>Fu Q et al. <a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1002/anie.202409446"><i>A Proteomics Pipeline for Generating Clinical Grade Biomarker Candidates from DIA-MS Discovery.</i></a> Angewandte Chemie International Edition (2024).</li><li>Fu Q et al. <a target="_blank" rel="noopener noreferrer" href="https://doi.org/10.1002/anie.202507610"><i>Development and Clinical Evaluation of a Multiplexed Health Surveillance Panel Using Ultra High-Throughput PRM-MS in an Inflammatory Bowel Disease Cohort.</i></a> Angewandte Chemie International Edition (2025).</li></ul><blockquote><p><strong>Visit us on&nbsp;</strong><a target="_blank" rel="noopener noreferrer" href="https://www.linkedin.com/showcase/72003132/admin/dashboard/"><strong><u>LinkedIn:</u></strong></a><strong>&nbsp;</strong>#Omics #BiomarkerDiscovery #MassSpectrometry #ClinicalResearch</p></blockquote>

Accelerating Biomarker Discovery and Validation: From Discovery to Clinical Utility

<p><strong>Interlaboratory comparisons (ILCs) have been used for more than a century and many important concepts are linked to them. This leaflet addresses the basic terminology of ILCs, why some colloquial terms can be misleading or misunderstood, and the importance of harmonisation.&nbsp;</strong></p><p>An ‘ILC’ is the <i>organisation, performance and evaluation of measurements or tests on the same or similar items by two or more laboratories in accordance with predetermined conditions</i> [1]. ILCs have a variety of overall – and detailed – objectives, the three most common [2] being:</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_Let_s_call_a_PT_scheme_a_PT_scheme_3_9993b9fb0f.jpg" alt="Eurachem: Let’s call a PT scheme a PT scheme" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_Let_s_call_a_PT_scheme_a_PT_scheme_3_9993b9fb0f.jpg 245w," sizes="100vw" width="1516" height="472"></p><h4><strong>Some comparisons have special names&nbsp;</strong></h4><p>The evaluation of participant (laboratory, organisation or individual) performance is typically referred to as ‘<strong>proficiency testing</strong>’ (PT) or ‘<strong>external quality assessment</strong>’ [1]. When the main objective is evaluating the performance of, for example, a candidate standard method, the ILC is often called a ‘<strong>method performance study</strong>’ or a ‘<strong>collaborative study</strong>’ [2, 3]. The former is quite clear whereas wording such as “<strong>collaborative</strong>” and “<strong>cooperative</strong>” just stresses joint effort. A project aimed at producing a new certified reference material may involve several laboratories conducting analyses on agreed properties [4]. Not surprisingly, this work is sometimes labelled as a ‘<strong>material certification study</strong>’. Special ILCs used to demonstrate measurement capabilities of National Metrology Institutes are called ‘<strong>key comparisons</strong>’, ‘<strong>supplementary comparisons</strong>’, and ‘<strong>pilot studies</strong>’ [5].&nbsp;</p><h4><strong>Some terms can be confusing&nbsp;</strong></h4><p>Other terms for ILCs, including ‘ring test’, ‘round robin’ and ‘circle analysis’, are common in the literature. They have, however, been used for different objectives and different designs and may be ambiguous or understood differently by laboratory staff. The use of these terms may, for example, imply a specific way of distributing the ILC sample. ISO/IEC 17043 uses ‘sequential scheme’, for a PT where a unique item is transferred between the participants and ‘simultaneous scheme’, in which similar items from a batch are distributed simultaneously to the participants [1].&nbsp;</p><p>Terms like ‘<strong>measurement audit</strong>’, ‘<strong>interlaboratory testing scheme</strong>’, ‘<strong>measurement comparison scheme</strong>’, ‘<strong>rapid performance evaluation scheme</strong>’ and ‘<strong>intercalibration</strong>’ may not correctly reflect the category of laboratory involved, or the type of work participants do during the ILC.&nbsp;</p><p>When in 1994 the IUPAC defined and described three major types of ‘interlaboratory studies’, the word ‘study’ was preferred to synonyms such as ‘trial’, ‘exercise’, ‘test’, ‘evaluation’ or ‘check’ [2].</p><h4><strong>Let’s try to harmonise&nbsp;</strong></h4><p>Many laboratory staff are unaware of official terms related to ILCs but recognise the acronym PT and words like ‘ring test’. Ideally, we would use a common scientific language, but harmonisation is time consuming. Terms appear and disappear and definitions change. The same term can be defined differently, even in different international standards. Lack of standards and guidelines in local languages can cause confusion and contribute to spreading of less appropriate terms.&nbsp;</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_Let_s_call_a_PT_scheme_a_PT_scheme_2_820043ce8b.jpg" alt="Eurachem: Let’s call a PT scheme a PT scheme" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_Let_s_call_a_PT_scheme_a_PT_scheme_2_820043ce8b.jpg 234w," sizes="100vw" width="1006" height="671"></p><p>Much confusion can be avoided by clear reference to relevant standards and sectoral guides. ISO/ IEC 17043 [1] and ISO 13528 [6] contain many important concepts related to PT schemes and other ILCs. Some of these are also incorporated into ISO/IEC 17025 [7]. Additional useful, and free, tools are the Eurachem PT Guide [8] and the ISO online browsing platform [9].&nbsp;</p><p>In writing guidance and instructions, remember that the term ‘interlaboratory comparison’ has a broad meaning and can be used for all cases described above. Sometimes this is clear enough for the reader. In other cases, use acknowledged terms that reflect the detailed objective of the ILC. Let’s call a PT scheme a PT scheme!</p>

Let’s call a PT scheme a PT scheme!

<p><span><strong>The countdown is on for one of the world’s leading conferences dedicated to food analysis. The 12th International Symposium on Recent Advances in Food Analysis (RAFA 2026), taking place in Prague from 3–6 November 2026, is approaching two important milestones: the Early Bird registration deadline and the deadline for oral abstract submissions, both ending on 30 June 2026. Researchers, analysts, industry professionals, regulators, and students are encouraged to secure their participation at a reduced registration rate and take advantage of the opportunity to present their latest scientific results to the international food analysis community.</strong></span></p><p><span>RAFA 2026 will once again bring together leading experts from academia, industry, and regulatory organizations to discuss the latest developments in food safety, authenticity, contaminants, non-target screening, PFAS, microplastics, food contact materials, artificial intelligence, and advanced analytical technologies. The preliminary program already features an outstanding lineup of internationally recognized speakers addressing some of the most pressing challenges in modern food analysis and food safety.</span></p><h3><strong>Registration</strong></h3><blockquote><p class="cke-user_style-important"><strong>👉</strong><a target="_blank" rel="noopener noreferrer" href="https://rafa.easyevent.eu/tickets/"><strong>Register to attend RAFA 2026!</strong></a></p><p><strong>Early-bird registration until 30 June, 2026</strong></p></blockquote><p>After successful submission of your registration, you will receive by e-mail (i) an automatic confirmation of receipt indicating the total amount of payment due (either for bank transfer or for on-line payment by card), (ii) login to Member section where you can administrate your profile, submit your abstracts, and from <strong>September 2026</strong> register for satellite events, workshops and seminars. If it will not be delivered within a few minutes after submission of your registration please contact us at <strong>RAFA2026@vscht.cz</strong>.</p><p>As soon as payment of registration fee is processed, you will also receive by e-mail (iii) confirmation of payment.</p><h4><strong>Registration Fees</strong></h4><ul><li><strong>Smart rate (Until 30 June, 2026): </strong>€ 655</li><li><strong>Regular registration (Until 30 September, 2026):</strong> € 855</li><li><strong>Late registration (From 1 October, 2026):</strong> € 955</li><li><strong>Student rate*&nbsp;</strong><ul><li><strong>Until 30 June, 2026: </strong>€ 465</li><li><strong>From 1 July, 2026:</strong> € 605</li></ul></li></ul><p><i>* The proof of student status (e.g. copy of a student identify card) is requested as an attachment of the registration form.</i></p><h5><strong>The regular registration fee will include:</strong></h5><ul><li>Attendance at all scientific sessions, workshops, seminars, vendor seminars and other satellite events</li><li>Access to the poster and exhibition area</li><li>Conference kit (name badge, conference bag, conference documents, certificate of participation, certificate of presentation on request)</li><li>Final programme</li><li>E-Book of Abstracts</li><li>Coffee breaks</li><li>Buffet luncheons</li><li>Welcome drink</li></ul><p>In the registration form you can r<strong>egister free of charge for the welcome drink</strong> and you can also order <strong>ticket(s) for the conference dinner (€ 85).</strong></p><p><i>Please note that your registration is firm when your payment has been received.</i></p><h3><strong>Abstract submission</strong></h3><blockquote><p class="cke-user_style-important"><strong>👉</strong><a target="_blank" rel="noopener noreferrer" href="https://rafa.easyevent.eu/tickets/"><strong>Submit your ABSTRACT HERE!</strong></a></p><p>In order to submit an abstract, you must <strong>first register to attend RAFA 2026</strong>. <strong>After registration</strong> you will receive an <strong>access to the Member section </strong>where you can <strong>submit your abstract(s).</strong></p></blockquote><p>&nbsp;After successful submission of your abstract you will receive an automatic confirmation of receipt of submitted abstract via e-mail. If it will not be delivered within a few minutes after submission of your abstract please check at first your spam box-mail and then contact us at <strong>RAFA2026@vscht.cz</strong>.</p><p>Please ensure that your abstract does not contain spelling, grammatical or scientific errors. Even though modifications of your submitted abstract will be allowed in the Abstract section of the Member section until the deadline for the abstract submission, please be confident on the lack of errors in your final version prior to starting the submission process.</p><p>The abstract will be reproduced exactly as submitted. No proofreading will be done, although some corrections may be requested by the reviewers.</p><p>If you need to withdraw your abstract, a written statement reflecting the reasons for this decision must be sent to <strong>RAFA2026@vscht.cz</strong> no later than <strong>September 30, 2026</strong>.</p><h4><strong>Important notice:</strong></h4><blockquote><p><strong>1 registered participant can submit no more than 2 abstracts.</strong></p></blockquote><p>To apply for a young scientist’s oral presentation, as an indication please respect the rule that you should be born in 1991 or later.</p><p>The <strong>text of the abstract </strong>should be<strong> limited to 3000 characters including spaces</strong>. Tables and pictures are not allowed.</p><p><strong>Abstracts of oral presentations and posters</strong> will be included into the "<strong>e-Book of Abstracts</strong>" only after receipt of the conference registration fee. Any payment of the registration fee has to be received until <strong>September 30, 2026</strong>, otherwise contribution(s) will not be included into the e-Book of Abstracts and the Conference programme.</p><h3><strong>Program</strong></h3><h4><strong>Invited Speakers</strong></h4><h5><strong>Food allergen risk assessment: Past, present, future</strong></h5><ul><li>Ben Remington from Remington Consulting Group B.V., Utrecht, the Netherlands &amp; University of Nebraska, USA</li></ul><p>Food allergy and allergen management are global public health issues, and consumer protection depends on transparent and trustworthy labelling. While 30 years of scientific advances show that low level exposures, or reference doses, are unlikely to trigger reactions in most allergic individuals, harmonized and globally aligned regulations are still needed to promote consistent allergen risk assessment and labelling decisions. This presentation will discuss the landscape of allergen risk assessment, global policy developments, current research and future needs in the area.</p><h5><strong>Unmasking hidden adulteration in honey: Strategies for detecting and characterizing honeys produced from sugar-fed colonies</strong></h5><ul><li>Oscar Nuñez Burcio from University of Barcelona, Barcelona, Spain</li></ul><p>From hive to jar, not all honey tells the same story. This presentation addresses hidden adulteration associated with sugar-fed bee colonies, highlighting implications for authenticity, production practices, and the need for a more precise characterization of honey to ensure consumer trust.</p><h5><strong>Analytical and toxicological methods for safety of food contact materials</strong></h5><ul><li>Erich Leitner from Graz University of Technology, Institute of Analytical Chemistry and Food Chemistry, Graz, Austria</li></ul><p>Food packaging plays a critical role in protecting and preserving food throughout the supply chain. All packaging materials intended to come into contact with food must comply with strict EU safety rules. Due to increased complexity of packaging solutions, lowering legal limits and increasing numbers of target compounds, we also have to adapt the strategies used to verify and guarantee the safety of these materials.</p><h5><strong>Data-driven strategies to reduce complexity in non-target HRMS analysis of food samples</strong></h5><ul><li>Anneli Kruve from Stockholm University, Stockholm, Sweden</li></ul><p>LC/HRMS based non-target screening can detect hundreds to thousands of chemical features in complex food and environmental samples. Investigating all of these in detail is practically impossible, so which ones to focus on? Novel computational tools developed in computational mass spectrometry allow predicting the toxicity and concentration of the detected chemical features even if these have not yet been fully structurally elucidated. Combining these predictions enables us to focus on the chemical features possessing high risk.</p><h5><strong>Role of AI in the identification of emerging food systems risks</strong></h5><ul><li>Ákos Bernard Jóźwiak from Syreon Research Institute, Budapest, Hungary</li></ul><p>AI-assisted evidence synthesis – spanning curated scientific evidence, exposome data, and network analysis – is the backbone of next-generation emerging chemical food safety risk identification, enabling earlier signals and more resilient surveillance systems.</p><h5><strong>Challenges of microplastics analysis in the context of food safety</strong></h5><ul><li>Dorte Herzke from Norwegian Institute of Public Health, Oslo, Norway</li></ul><p>Food and food packaging are major sources of micro- and nanoplastic exposure. Plastics used in processing, storage, and packaging can release particles through heat, abrasion, and degradation. Small particles below 2 µm may cross gut barriers and carry chemicals, highlighting the need for robust and sensitive measurement methods.</p><h5><strong>Never-ending analytical challenges in PFAS analysis of food</strong></h5><ul><li>Darina Dvořáková from University of Chemistry and Technology Prague, Prague, Czechia</li></ul><p>Exploring and monitoring PFAS in food requires advanced strategies. Combining targeted, suspect, and non-target HRMS analysis, determination of total fluorine and sum parameters, and novel sensors provides new insights into PFAS occurrence and supports food safety monitoring.</p><h5><strong>An overview of the latest scientific knowledge on process contaminants in food for appropriate risk management measures</strong></h5><ul><li>Thierry Delatour from Nestlé Research, Lausanne, Switzerland.</li></ul><p>Recent scientific findings related to acrylamide and furans formation, occurrence and analytical methods in food provide important insights for risk management.</p>

Deadline for RAFA 2026 Early Registration and Oral Abstract Submission is approaching

Article

Events

Academy

Science and research

Video

RAFA provides an overview of contemporary trends in ANALYTICAL & BIOANALYTICAL STRATEGIES IN FOOD QUALITY AND SAFETY CONTROL and discusses CHALLENGES / NOVEL APPROACHES IN FOOD AND NATURAL PRODUCTS ANALYSIS.

Recent Advances in Food Analysis (RAFA)

A unique company dedicated to serving science helping our customers drive productivity and accelerate results. Through our premier brands – Thermo Scientific, Applied Biosystems, Invitrogen, Fisher Scientific and Unity Lab Services.

Thermo Fisher Scientific

Eurachem is a European network promoting international traceability of chemical measurements and good analytical practice. It provides expert guidance, supports method validation, uncertainty evaluation, proficiency testing, and facilitates discussion on technical and policy issues in analytical quality.

Eurachem

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 GC, LC and MS data processing focused on LC/MS from SciY/Mestrelab Research - page 1

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