<p><strong>You may have the best HPLC system on the market, but to maximize your investment, you also need the best software to control the system and manage the data. If the software is complex to use, inflexible or lacking in functionality, it can greatly reduce your lab productivity, creating bottlenecks and inefficiencies. Furthermore, this can lead to unreliable results, increased error rates, cost implications and ultimately, a decrease in overall laboratory performance. By selecting the right Chromatography Data System (CDS) designed to meet current laboratory needs, you can eliminate errors and drive productivity with data that is accurate, trustworthy and secure.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Elevate_Your_HPLC_Performance_with_a_Modern_CDS_cc757246f7.jpg" alt="Thermo Fisher Scientific: Elevate Your HPLC Performance with a Modern CDS." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Elevate_Your_HPLC_Performance_with_a_Modern_CDS_cc757246f7.jpg 245w," sizes="100vw" width="1024" height="512"></p><h3><strong>Be flexible and be in control</strong></h3><p>So, what if you have multiple HPLC’s from different vendors? <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76"><strong>Thermo Scientific Chromeleon CDS</strong></a> offers full control over the widest range of HPLC and other chromatography instruments, including those from third-party manufacturers. This ensures you can maintain flexibility, while connecting and controlling your HPLC systems effortlessly. With features, such as auto-generated instrument panels that provide fast access to commands and live analysis plots, you can simplify navigation and enhance the overall user experience, making it easier to manage and monitor instruments.</p><h3><strong>Streamline your method development and validation</strong></h3><p>Support for your method development and validation needs is taken care of with <strong>predefined ICH method validation templates and built-in tools for method conversion, alongside integration with specialized software for automated and intelligent HPLC method development</strong>. This integration facilitates faster and more efficient method optimization and robustness testing, while the secure centralized data storage builds the perfect platform for compliance and future data review, providing a complete solution from method development to validation.</p><h3><strong>Robust compliance and secure data management</strong></h3><p><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/sp_70761_cds_ensure_compliance_sp70761_en_fd2abc669a.pdf"><strong>Compliance and security</strong></a> can be a crucial aspect of any HPLC operation, and Chromeleon CDS effectively addresses these needs. Your instrument management starts with fast integrated wizard-driven instrument qualification covering IQ, OQ and PQ with predefined templates and reports to optimize the instrument qualification process. The software employs a privilege-based approach to control access to both the instruments and the system, ensuring that only authorized and qualified personnel can interact with them. Dedicated instrument audit trails track all actions and will provide you with a full history that is searchable ensuring traceability, safeguarding the integrity of your data and operations.</p><h3><strong>Keep your instruments up and running</strong></h3><p>Productivity is only maintained if your HPLCs are operational and available for use. Integrated diagnostic tests offer insight into key information such as lamp operating hours or piston seal wear with warning limits for timely replacements. The <strong>active monitoring of service and qualification status</strong> allows for convenient maintenance scheduling and prevents unnecessary instrument downtime. An overview of diagnostic outcomes can also be produced as part of a routine health check ensuring that your HPLC instruments are always in optimal condition.</p><h3><strong>Get more right-first-time results</strong></h3><p>How can you prevent delays, time-consuming investigations, and ensure your analytical sequence runs correctly the first time? Chromeleon CDS offers you solutions to minimize user interaction, such as ready checks that automatically verify instrument configuration, methods, and sequences for issues, and automated system equilibration, which ensures the first injection is always good, eliminating the need for blank injections at the start of a sequence saving time and solvent. Automated shutdown procedures will manage a completed run, ensuring safe shutdown, system flushing, or maintaining a low flow rate to prevent component damage. Built-in system suitability tests with the ability to make in-run decisions, such as pause, stop or continue will maintain the integrity of your data and allow you to perform actions like re-injections and auto-dilutions for when samples are outside acceptable tolerance limits.<strong> Streamlining and automating the entire process of sequence creation is achieved through </strong><a target="_blank" rel="noopener noreferrer" href="https://documents.thermofisher.com/TFS-Assets/CMD/brochures/SP-70758-CDS-Chromeleon-Streamline-Workflow-SP70758-EN.pdf"><strong>eWorkflow procedures</strong></a>. These pre-defined templates contain all associated methods and reports, so your HPLC sequence can be automatically generated with just a few clicks, reducing errors, minimizing training, and producing reliable results faster.</p><h3><strong>A software designed to optimize HPLC lab efficiency</strong></h3><p>Chromeleon CDS is a no-compromise solution for your HPLC systems, designed to provide you with faster and better results through enhanced control, flexibility, diagnostics, right-first-time results, and compliance. Its user-friendly interface, comprehensive method development and validation tools, secure data management, and advanced diagnostics make it an indispensable tool for your HPLC laboratory. Find out more by downloading the case study: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/cs_003880_hplc_vanquish_sanofi_optimize_manufacturing_drugs_cs003880_na_en_cf986bf4cc.pdf"><strong>Leveraging a Vanquish UHPLC system and Chromeleon CDS to optimize the manufacturing process</strong></a> or visiting <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/76"><strong>Chromatography Data System (CDS)</strong></a>.</p><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;#Chromeleon #ChromatographyDataSystem #HPLC #UHPLC</strong></p><section><blockquote><h5><strong>Peter Zipfell</strong></h5><p>For over 25 years, he has worked extensively with analytical hardware and software transitioning from LC-MS method development through HPLC technical support to chromatography data systems. His focus has always been to support our customers by delivering software solutions across multiple industries to enable them to improve their current workflows and increase productivity.</p></blockquote></section>

Elevate Your HPLC Performance with a Modern CDS

<h3><a target="_blank" rel="noopener noreferrer" href="https://www.isc2026.org/"><strong>ISC 2026</strong></a></h3><p>The <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/314"><strong>International Symposium on Chromatography (ISC)</strong></a> represents the oldest conference series on separation science. ISC symposia have been organised since 1956 in each even year. ISC is one of the premier meetings series for discussion of all modes of chromatography and separation science with a broad coverage of techniques and applications.</p><p>The major focus of the symposium will be on the impact of chromatography and separation science to meet the needs of the pharmaceutical, environmental, food and health industry, as well as science and medicine. The symposium programme will reflect these themes and highlight new challenges and emerging opportunities for the science and marketing of separation and detection systems and methods.</p><p>As an integral part of the scientific programme of lectures and poster sessions, an international exhibition and vendor seminars on instrumentation and services for chromatography, separation science and mass spectrometry will be organised. ISC 2026 will provide the perfect forum for attendees from academia, industry and government research institutions for scientific exchange and networking.</p><h3><strong>ISC 2026 SYMPOSIUM KEY DATES</strong></h3><h4><strong>6-10 SEPTEMBER 2026</strong></h4><ul><li><strong>15 January 2026:</strong> Opening of Early-bird Registration &amp; Abstract submission</li><li><strong>11 March 2026: </strong>Deadline for abstract submission (orals)</li><li><strong>21 April 2026: </strong>Sending acceptance letters (orals)</li><li><strong>15 May 2026: </strong>Deadline of early-bird registration and payment &amp; Author registration deadline (orals)</li><li><strong>1 June 2026: </strong>Preliminary detailed program on web</li><li><strong>1 June 2026: </strong>Deadline for abstract submission (posters)</li><li><strong>16 June 2026: </strong>Sending acceptance letters (posters)<ul><li>Authors who submit their abstracts with a poster preference by 5 May 2026 will be notified of the outcome by 12 May 2026 and will have the opportunity to register at the early-bird rate until 15 May 2026.</li></ul></li><li><strong>30 June 2026:</strong> Author registration deadline (posters)</li><li><strong>30 July 2026:</strong> Deadline for abstract submission (late-breaking posters)<ul><li>without the possibility of competing for the Best Poster Award</li></ul></li><li><strong>11 August 2026: </strong>Sending acceptance letters (late-breaking posters)</li><li><strong>18 August 2026:</strong> Author registration deadline (late-breaking posters)</li><li><strong>25 August 2026: </strong>Deadline for late registration &amp; payment&nbsp;</li><li><strong>6-10 September 2026: </strong>Symposium</li></ul><h3><strong>REGISTRATION</strong></h3><blockquote><p><strong>👉</strong><a target="_blank" rel="noopener noreferrer" href="https://www.czech-in.org/cmPortalV15/Account/Login?ReturnUrl=%2FcmPortalV15%2FPortal%2FISC26%2Fnormal"><strong>Register HERE for the ISC 2026</strong></a></p></blockquote><h3><strong>ABSTRACT SUBMISSION</strong></h3><blockquote><p><strong>👉</strong><a target="_blank" rel="noopener noreferrer" href="https://www.czech-in.org/cmPortalV15/Account/Login?ReturnUrl=%2FcmPortalV15%2FPortal%2FISC26%2Fnormal"><strong>Submit your Abstract HERE</strong></a></p></blockquote><h3><strong>SCIENTIFIC PROGRAM</strong></h3><h4><strong>SHORT COURSES</strong></h4><h5><strong>SC 3 Interpretation of Mass Spectra: Basic Introduction for Chromatographers</strong></h5><p><strong>🗓️ SUNDAY, 6 SEPTEMBER 2026</strong></p><p><strong>🕗 8:30 – 11:45</strong></p><p>Mass spectrometry has become an essential tool in modern liquid chromatography, yet many chromatographers receive limited formal training in mass-spectral interpretation. This introductory short course provides a practical guide to understanding and interpreting mass spectra generated by the atmospheric-pressure ionization techniques coupled with LC: electrospray ionization (ESI), atmospheric-pressure chemical ionization (APCI), and atmospheric-pressure photoionization (APPI). The course begins by outlining the information that mass spectrometry adds beyond a chromatogram and clarifying which analytical questions mass spectrometry can – and cannot – answer. Participants receive a concise refresher on mass-spectrometric fundamentals, along with an introduction to key terminology. The principles and practical consequences of ionization methods are then discussed, with emphasis on how ionization physics, LC conditions, and mobile-phase additives shape spectral appearance. Building on this foundation, the course develops practical skills for interpreting LC-ESI spectra: locating the molecular ion, determining charge state, recognizing common adducts, distinguishing in-source artefacts, and using isotope patterns to support elemental-composition hypotheses. Participants then explore how MS/MS fragmentation provides structural clues, with straightforward rules of thumb for neutral losses and class-specific fragmentation behaviors. The course concludes with an integrative exercise that synthesizes chromatographic, full-scan, and MS/MS information to support spectral interpretation. By the end, participants will be equipped with the essential skills needed to interpret LC-MS spectra effectively and to apply mass-spectrometric reasoning in routine chromatographic analysis.&nbsp;</p><h4><strong>Lecturers</strong></h4><h5><strong>Josef Cvačka</strong></h5><ul><li>Josef Cvačka is head of the Mass Spectrometry Group at the Institute of <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/62"><strong>Organic Chemistry and Biochemistry of the Czech Academy of Sciences</strong></a> and an associate professor at the Faculty of Science, Charles University in Prague. His research focuses on the structural analysis of bioactive organic compounds using advanced mass-spectrometric techniques. He develops methods for pinpointing double-bond and methyl-branching positions in lipids and aims to discover new lipid classes in biological samples. His laboratory also designs new ion sources for MS and HPLC/MS. He teaches and supervises students at Charles University and founded the <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/articles?search=Czech+Museum+of+Mass+Spectrometry"><strong>Czech Museum of Mass Spectrometry</strong></a>.</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Josef_Cvacka_5cc8a0d1d4.jpg" alt="ISC 2026: Josef Cvačka" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Josef_Cvacka_5cc8a0d1d4.jpg 156w," sizes="100vw" width="510" height="510"></p>

ISC 2026 Short Course 3 - Interpretation of Mass Spectra: Basic Introduction for Chromatographers

<p><strong>Eurachem and CITAC welcome analysts interested in the evaluation of chemical analysis uncertainty and in how to use this information in results interpretation. The Eurachem Week 2026 will begin with a training course on “Evaluation of the measurement uncertainty from in-house precision and recovery data” scheduled for Sunday, 10 May 2026. A two-days workshop on “Quality in Analytical Measurements: Uncertainty Evaluation and Results Interpretation” open to all interested participants will take place from 11 to 12 May 2026. On 13 May 2026, the Eurachem Working Groups will convene, followed by the Eurachem General Assembly, which will bring together the Executive and national delegates on 14 and 15 May. Both Working Group Meetings and the General Assembly are restricted to their members.</strong></p><p>The results of qualitative and quantitative chemical analyses should have an acceptable uncertainty, which should ideally be reported and considered in results interpretation.</p><p>For many analytical applications, simplified uncertainty evaluations can determine uncertainty values that meet the defined requirements for this parameter. The workshop will focus on the key technical challenges involved in practical evaluations of measurement uncertainty based on precision and recovery data gathered during in-house method validation and quality control. There will be a discussion of how to model the variation of the measurement uncertainty within the analytical range and how to handle divergent recovery values from the analysis of various reference materials. A session on the use of measurement uncertainty in conformity assessment will explore how the risk of false conformity decisions can be managed.</p><blockquote><h5><strong>New Eurachem guidance on using in-house precision and recovery data will be discussed at the workshop.</strong></h5></blockquote><p>Topics will also include the validation and uncertainty evaluation for qualitative analyses with particular attention to current accreditation requirements for these types of analysis. The last session of the workshop will be dedicated to the evaluation of measurement uncertainty arising from sampling and using it to judge the fitness for purpose, and hence validation, of measurement procedures that include sampling. Four sessions of the workshop will include engaging breakout sessions where participants will have the chance to share their views about challenging aspects of the analytical work. Participants are invited to propose posters and oral communications on session topics or any other relevant topic for analytical chemists or stakeholders of the analytical work.</p><h3><strong>Registration</strong></h3><blockquote><p class="cke-user_style-important"><strong>👉</strong><a target="_blank" rel="noopener noreferrer" href="https://conferences.chemistry.pt/register/eurachem2026"><strong>Register here for the workshop</strong></a></p></blockquote><h4><strong>Registration Fees</strong></h4><h5><strong>Early bird (EUR) - Until April 15th</strong></h5><ul><li><strong>Workshop: Regular participant (11 &amp; 12 May 2026): </strong>400 EUR</li><li><strong>Workshop: Student (11 &amp; 12 May 2026): </strong>250 EUR</li><li><strong>Eurachem Working Group<sup>1</sup> (13 May 2026):</strong> 75</li><li><strong>General Assembly<sup>2</sup> (14 &amp; 15 May 2026): </strong>250</li><li><strong>Training On Uncertainty Evaluation<sup>3</sup> (10 May 2026):</strong> 150</li></ul><h5><strong>After April 15th</strong></h5><ul><li><strong>Workshop: Regular participant (11 &amp; 12 May 2026): </strong>450 EUR</li><li><strong>Workshop: Student (11 &amp; 12 May 2026):</strong> 300 EUR</li><li><strong>Eurachem Working Group<sup>1</sup> (13 May 2026): </strong>100</li><li><strong>General Assembly<sup>2</sup> (14 &amp; 15 May 2026):</strong> 300</li><li><strong>Training On Uncertainty Evaluation<sup>3</sup> (10 May 2026): </strong>200</li></ul><blockquote><p>§ - <strong>50 EUR reduction for members of Eurachem</strong>, CITAC, SPQ, RELACRE, ForMEQ and SPMet at the workshop.</p><p>10% reduction for organisations that registered more than one participant.</p><p><sup>1 </sup>- Working group members</p><p><sup>2</sup> - Eurachem members</p><p><sup>3</sup> - 50% reduction for workshop participants</p></blockquote><h3><strong>Workshop</strong></h3><h4><strong>Eurachem/CITAC Workshop on Quality in Analytical Measurements:</strong></h4><h5><strong>Uncertainty Evaluation and Results Interpretation</strong></h5><p>The results of qualitative and quantitative chemical analyses should have an acceptable uncertainty, which should ideally be reported and considered in results interpretation. For many analytical applications, simplified uncertainty evaluations can determine uncertainty values meeting defined requirements for this parameter. The workshop will focus on the key technical challenges involved in practical evaluations of measurement uncertainty based on precision and recovery data gathered during in-house method validation. It will be discussed how to model the variation of the measurement uncertainty within the analytical range and how to handle divergent recovery values from the analysis of various reference materials. A session on the use of measurement uncertainty in conformity assessment will explore how the risk of false conformity decisions can be managed.</p><p>Topics will also include the validation and uncertainty evaluation of qualitative analyses with particular attention to current accreditation requirements for these types of analysis. The last session of the workshop will be dedicated to the evaluation of measurement uncertainty arising from sampling and using it to judge the fitness for purpose, and hence validation, of measurement procedures that include sampling.</p><p>Four sessions of the workshop will include engaging breakout sessions where participants will have the chance to share their views about challenging aspects of the analytical work. Participants are invited to propose posters and oral communications on session topics or any other relevant topic for analytical chemists or stakeholders of the analytical work.</p><h3><strong>Training Course</strong></h3><h4><strong>Evaluation of the measurement uncertainty from in-house precision and recovery data</strong></h4><ul><li>10 May 2026</li></ul><p>A course on the fundamentals of the evaluation of the measurement uncertainty from in-house precision and recovery data will be held on Sunday, 10 May 2026. This training is targeted for analysts with a basic understanding of the measurement uncertainty concept, how uncertainty components propagate, and how the combined uncertainty is expanded. Following the morning presentation of the theory of uncertainty evaluation, the afternoon will be dedicated to applying the theory to real-world cases. Trainees should have basic skills in using Microsoft Excel spreadsheets and bring a laptop with Microsoft Excel to complete the exercises. The interaction between trainers and trainees will be promoted to guarantee learning efficiency.</p><h5><strong>Trainers:</strong></h5><ul><li>Ricardo Bettencourt da Silva, Faculdade de Ciências da Universidade de Lisboa, Portugal (rjsilva@ciencias.ulisboa.pt)</li><li>Stephen L. R. Ellison - UK National Measurement Laboratory (NML) hosted at LGC, United Kingdom</li><li>Vicki Barwick - UK National Measurement Laboratory (NML) hosted at LGC, United Kingdom</li></ul><h4><strong>Agenda</strong></h4><h5><strong>8:00 Registration</strong></h5><h5><strong>9:00 Opening</strong></h5><h5><strong>9:05 Identifying, combining, and expanding uncertainty components: Theory and examples</strong></h5><h5><strong>9:45 Precision uncertainty: Theory and examples</strong></h5><h5><strong>10:30 </strong>Coffee break</h5><h5><strong>10:50 Trueness-related uncertainty: Theory and examples</strong></h5><h5><strong>12:00 Additional questions and discussion</strong></h5><h5><strong>12:30 </strong>Lunch</h5><h5><strong>13:30 Application example 1</strong></h5><h5><strong>15:30 </strong>Coffee break</h5><h5><strong>15:50 Application example 2</strong></h5><h5><strong>17:00 Additional questions and discussion</strong></h5><h5><strong>17:30 Closing</strong></h5><h3><strong>Venue</strong></h3><p>The series of Eurachem events will be held in:</p><ul><li>Meliã Lisboa Aeroporto ****</li><li>Rua C,2 1749-125 Lisboa, Portugal&nbsp;</li></ul>

Eurachem/CITAC Workshop on Quality in Analytical Measurements 2026

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Article

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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

The International Symposium on Chromatography (ISC) represents the oldest conference series focussing on separation science. ISC symposia have been organised since 1956 in each even year. ISC is internationally recognised as one of the premier meeting series for discussion of all modes of chromatography and separation science with a broad coverage of techniques and applications.

International Symposium on Chromatography - (ISC)

Thermo Scientific mzCloud Mass Spectral Library

mzCloud is a high-resolution, accurate-mass MSⁿ spectral library that helps identify unknown compounds when no reference standards are available, especially in complex studies.

<div colctrl-id="1-1"><div><div container-id="cq-colctrl-lt8" comp-id="B1"><div><h3><strong>Confident identification for unknown small molecules</strong></h3></div></div><div container-id="cq-colctrl-lt8" comp-id="B2"><div><p><strong>Mass spectral libraries and databases may be required to identify unknown compounds when reference standards are not available. This is particularly true for studies in areas such as metabolomics, forensic toxicology, food &amp; beverage, environmental emerging contaminants or extractables &amp; leachables.</strong></p></div></div></div></div><div><p>In these situations, a mass spectral library, particularly a high-resolution and accurate-mass MS<sup>n</sup> fragmentation library, such as the mzCloud mass spectral library, can provide the information required to confidently identify unknown compounds.</p><h3><strong>Key benefits</strong></h3><h5><strong>Confidence for unknown identification</strong></h5><p>Comprehensive curation of all library content with extensive, fully annotated and searchable fragmentation spectra to provide confidence in your results.</p><h5><strong>Know more unknowns&nbsp;&nbsp;&nbsp;&nbsp;</strong></h5><p>Identify unknowns with automated deconvolution and library searching against extensive fragmentation spectra covering a wide chemical space, including small molecule applications.</p><h5><strong>From spectra to structure&nbsp;&nbsp;</strong></h5><p>With solutions to cover infusion or LC-MS, nominal or high-resolution data, you can be sure that your MS<sup>n</sup> spectra will provide you with actionable results, even when there is no spectral library match.</p><h5><strong>Flexibility for research and routine applications</strong></h5><p>Search for free online at <a target="_blank" rel="noopener noreferrer" href="http://www.mzcloud.org/" aria-label="mzCloud.org - open in a new tab" data-uw-rm-ext-link="" uw-rm-external-link-id="http://www.mzcloud.org/$mzcloud.org"><span style="white-space:nowrap;">mzCloud.org</span></a>, or directly access through the Thermo Scientific Compound Discoverer and Mass Frontier software packages. Not online? mzVault provides you with the ability to perform offline spectral library searching.</p><figure class="image"><img style="aspect-ratio:1398/1002;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_ecc79fe9bf.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: mzCloud is easily and freely accessed online. Anyone can search, review, and use its extensive information. Note that the numbers above were correct at time of publication. For the most up to date numbers visit mzCloud.org." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_ecc79fe9bf.jpg 218w," sizes="100vw" width="1398" height="1002"></figure><h3><strong>What is in the mzCloud mass spectral library?</strong></h3><div style="height:auto;" id="whatismzcloud"><div><div><div><div><p>mzCloud is an extensively curated, high-quality mass spectral fragmentation library that contains significant amounts of spectra and metadata for each entry. Each entry also includes exhaustive high-resolution <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-software/mass-spectral-libraries/mzcloud-mass-spectral-library.html?open=multi-stage-fragmentation#multi-stage-fragmentation">MS/MS and multi-stage MS<sup>n</sup> spectra</a>, which have been acquired at various collision energies and using different fragmentation techniques.</p><p><strong>Each raw mass spectrum</strong> has been filtered to remove noise, recalibrated to ensure absolute mass accuracy, fully annotated and <a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/cz/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-software/mass-spectral-libraries/mzcloud-mass-spectral-library.html?open=content-curation#content-curation">curated</a> to ensure quality and consistency.</p><p>Finally, the contents of the library are <strong>updated weekly</strong> to provide coverage of a wide chemical space, ensuring relevance to all small-molecule application areas.</p></div><div><figure class="image"><img style="aspect-ratio:740/410;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_2_77a6795676.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: Example of the Mass Frontier software utilizing the contents of mzCloud to identify an unknown compound through a sub-structural search; the experimental fragmentation spectrum (top left) is searched against the mzCloud mass spectral database, with corresponding spectral hits shown in a given spectral tree (top, middle), with supporting spectral information (bottom left) and the identified precursor structure from the matched fragmentation spectra (bottom right), and the library compound structure from which the fragment originated (top right)." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_2_77a6795676.jpg 245w," sizes="100vw" width="740" height="410"></figure></div><div><p>Distinguishing among types of databases is important, as the contents and quality of the contents typically differs significantly and may have an impact upon the reliability of the data and the confidence in any results obtained.</p><ul><li><strong>Chemical database</strong>: A collection of chemical information with, at minimum, a name and a formula. It may also include structures, elemental composition, retention time information, and additional biological or chemical metadata.</li><li><strong>Accurate-mass (AM) database</strong>: An AM database contains accurate mass formulas.</li><li><strong>Accurate-mass retention-time (AMRT) database</strong>: An AMRT database contains accurate mass and retention time(s) for specific analytical methods.</li><li><strong>Library</strong>: A library is a database (AM or AMRT) that, in addition to the above, also contains reference mass spectral data, MS/MS, and/or MS<sup>n</sup> data on compounds.</li></ul><h3><strong>Multi-stage fragmentation in the mzCloud mass spectral library</strong></h3><div style="height:auto;" id="multistagefragmentation"><div><div><div><div><figure class="image"><img style="aspect-ratio:740/420;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_3_792a9d9a59.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: A schematic representation of a spectral tree within mzCloud. The MS spectra are acquired for a given compound in multiple polarities (ESI +/-), and for a range of adducts. Each precursor is exhaustively fragmented using different fragmentation techniques (CID, HCD) and at multiple collision energies to produce collections of fragmentation spectra at each fragmentation level (MS2, MS3, MS4 etc.), generating a comprehensive spectral tree of information for each library entry." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_3_792a9d9a59.jpg 245w," sizes="100vw" width="740" height="420"></figure><p>mzCloud is an<strong> all-encompassing mass spectral library </strong>with content based on a wide chemical space (therefore covering all small-molecule application areas), and acquiring high-resolution and accurate-mass data at various collision energies, for multiple adducts, using CID and HCD. Approximately 10–20 collision energies are included for every precursor ion; this multi-stage, multidimensional MS<sup>n</sup> spectral data are arranged into spectral trees, which are both extensive and comprehensive, typically containing many hundreds to thousands of spectra for each compound, with many exceeding MS<sup>4</sup> fragmentation steps.</p><p>The extensive data for each library entry is critical for accurate compound identifications, matching experimentally obtained data to that of the library contents, with fit confidence and data visualization <strong>provided in the</strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong> Compound Discoverer</strong></a><strong> and </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1757"><strong>Mass Frontier</strong></a><strong> data analysis software.</strong> Additional tools in Compound Discoverer and Mass Frontier software, including <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1762"><strong>mzLogic</strong></a>, use the extensive fragmentation information to confidently identify unknowns that cannot be identified based upon the spectral library compound entries alone.</p><h3><strong>Content curation in the mzCloud mass spectral library</strong></h3><div style="height:auto;" id="contentcuration"><div><div><div><div><figure class="image"><img style="aspect-ratio:740/342;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_4_c7064c2ca2.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: An example of the mass spectral content curation tool available within the Mass Frontier software. It contains all the functionality used to manually curate the content contained within mzCloud. The power of mzCloud lies in both the extent and high quality of its content, which helps make confident compound identifications." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_4_c7064c2ca2.jpg 245w," sizes="100vw" width="740" height="342"></figure><p>Despite the fact that <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products?category=5&amp;manufacturerItems=3&amp;search=orbitrap"><strong>Thermo Scientific Orbitrap-based mass analyzers</strong></a> routinely deliver sub 3-ppm mass errors, there is a small amount of inaccuracy in any experimental data used to search against a library; these errors would be compounded if the library itself also contained data with mass errors. The compounded errors would mean that any identifications could be harder to make or have lower confidence due to match scores being higher.</p><p>Curating the content within mzCloud guards against error and variability in the reference spectra against which data is compared. <strong>The process of curation involves:</strong></p><ul><li>Averaging multiple, individually acquired spectra</li><li>The removal of mass spectral noise</li><li>Recalibration of the mass spectra based upon the predicted formulas for the fragment ion elemental compositions, based upon the known elemental composition and structure of the precursor ion</li><li>Annotation of all fragment ions with the fragment structure</li><li>Addition of large amounts of metadata, including the source of the data and all original raw data files</li></ul><p>This curation process is performed <strong>for every spectra</strong> - every collision energy, every fragmentation type, every MS<sup>n</sup> level and for each precursor ion. As such, the spectral data in mzCloud is of <strong>exceedingly high quality </strong>and offers significant advantages over crowd-sourced libraries due to the high levels of control.</p><figure class="image"><img style="aspect-ratio:740/350;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_5_0c3fdc4c6c.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: A recalibrated fragmentation spectrum showing no error on the highlighted peak at m/z 213.05462, along with all of the annotation that is provided for each spectra, at each collision energy, for each fragmentation type at each MSn level." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_5_0c3fdc4c6c.jpg 245w," sizes="100vw" width="740" height="350"></figure><div><div><div container-id="cq-colctrl-lt8" comp-id="B1"><div><h3><strong>How can I use the mzCloud mass spectral library?</strong></h3><p>Accelerate your small molecule unknown identification studies with <strong>mzCloud</strong>, <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1762"><strong>mzLogic</strong></a>, and the other data analysis and mass spectral prediction tools available in<strong> </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1759"><strong>Compound Discoverer</strong></a> software and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1757"><strong>Mass Frontier</strong></a><strong> </strong>software.</p><p><img style="aspect-ratio:860/261;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_7_a8cefb0028.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: Connectivity of mzCloud and mzVault to Mass Frontier." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_7_a8cefb0028.jpg 245w," sizes="100vw" width="860" height="261"></p><p>The content within mzCloud is accessible through Compound Discoverer and Mass Frontier software packages, provided you have an internet connection. No internet? No problem – <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1760"><strong>mzVault</strong></a>, provides you with the MS and MS/MS content of mzCloud in an offline format.</p><div style="height:auto;" id="accessmzcloud"><div><div><div><div colctrl-id="3-1"><div><div container-id="cq-colctrl-lt8" comp-id="B1"><div><p><img style="aspect-ratio:860/242;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_6_ae3c0a28e1.jpg" alt="Thermo Scientific mzCloud Mass Spectral Library: Connectivity of mzCloud and mzVault to Compound Discoverer." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Scientific_mz_Cloud_Mass_Spectral_Library_6_ae3c0a28e1.jpg 245w," sizes="100vw" width="860" height="242"></p><p>Due to security concerns or local firewalls, not everyone can connect processing PCs to the internet. With that in mind, the contents of mzCloud are combined into an offline version twice a year. The <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1760"><strong>mzVault</strong></a><strong> </strong>software application helps you access this information. In addition to accessing the offline version of mzCloud, the mzVault application can store and search your high-quality custom in-house (offline) MS/MS spectral libraries.</p></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>

Products from category Libraries - page 1

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