<p><strong>Quantifying steroids in biological matrices has always presented analytical challenges. Complex structures, isobaric interferences, and matrix effects often limit accuracy and throughput — demanding a new approach beyond incremental improvements.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Advancing_Steroid_Quantification_Unlocking_Sensitivity_and_Selectivity_with_the_Thermo_Scientific_Stellar_Mass_Spectrometer_6e03ce7f59.jpg" alt="Thermo Fisher Scientific: Advancing Steroid Quantification: Unlocking Sensitivity and Selectivity with the Thermo Scientific Stellar Mass Spectrometer." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Advancing_Steroid_Quantification_Unlocking_Sensitivity_and_Selectivity_with_the_Thermo_Scientific_Stellar_Mass_Spectrometer_6e03ce7f59.jpg 245w," sizes="100vw" width="1024" height="512"></p><p>The<a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1149"> <strong>Thermo Scientific Stellar MS</strong></a> redefines how analysts approach <strong>steroid quantification</strong>, enabling rapid method optimization through advanced scanning flexibility, complementary fragmentation mechanisms, and enhanced selectivity.</p><p>Rather than focusing on a single metric, this application note demonstrates how researchers can <strong>quickly develop more effective methods</strong> by leveraging the full capability of the Stellar MS to characterize compounds comprehensively in a single acquisition.</p><h3><strong>A new paradigm for analytical quantitation</strong></h3><p>Traditional LC-MS approaches often rely on incremental improvements in sensitivity or speed.<br>Stellar MS instead provides a new analytical framework, designed to optimize every parameter of quantitative method creation.</p><p><strong>Key attributes include:</strong></p><ol><li><strong>PRM vs. SRM/MRM — improving instrument efficiency</strong><br>Parallel Reaction Monitoring (PRM) on Stellar MS provides comprehensive ion information for each target steroid, improving quantitation accuracy and efficiency over traditional MRM methods.</li><li><strong>Complementary dissociation mechanisms — HCD and CID</strong><br>Stellar’s unique ability to combine <strong>beam-type (HCD)</strong> and <strong>resonant (CID)</strong> dissociation ensures full coverage of all 17 targeted steroids. This dual-mode approach effectively overcomes neutral water loss product ions — one of the key challenges in steroid analysis.</li><li><strong>Next-level selectivity — MS² to MS³ transition</strong><br>The platform’s ability to perform <strong>MS³ experiments</strong> enhances selectivity and confidence, particularly in complex biological matrices, where interferences are common.</li><li><strong>Product ion accumulation vs. dwell time — improved ion ratios and sensitivity</strong><br>By accumulating product ions rather than relying on fixed dwell times, Stellar MS achieves superior ion ratio precision and reproducibility — even at low spiking levels — without sacrificing throughput.</li></ol><p>&nbsp;<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Thermo_Fisher_Scientific_Advancing_Steroid_Quantification_Unlocking_Sensitivity_and_Selectivity_with_the_Thermo_Scientific_Stellar_Mass_Spectrometer_2_21e509451a.jpg" alt="Thermo Fisher Scientific: Advancing Steroid Quantification: Unlocking Sensitivity and Selectivity with the Thermo Scientific Stellar Mass Spectrometer: Figure 1. Representative EIC of 17 steroids in human serum using the Thermo Scientific Stellar mass spectrometer." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Thermo_Fisher_Scientific_Advancing_Steroid_Quantification_Unlocking_Sensitivity_and_Selectivity_with_the_Thermo_Scientific_Stellar_Mass_Spectrometer_2_21e509451a.jpg 245w," sizes="100vw" width="800" height="412"></p><h3><strong>From characterization to confident method creation</strong></h3><p>The power of Stellar MS lies in its <strong>comprehensive acquisition strategy</strong>. In this application note, a single injection per spiking level generated <strong>125 distinct scan events</strong>, combining:</p><ul><li>HCD and CID MS² experiments</li><li>Targeted MS³ scans</li><li>Positive/negative <strong>polarity switching</strong></li></ul><p><strong>This workflow enables analysts to rapidly evaluate:</strong></p><ol><li>Which <strong>dissociation mechanism</strong> produces the most informative spectra</li><li>Whether <strong>MS² or MS³</strong> is best suited for each compound</li><li>The optimal <strong>product ions</strong> for confident post-acquisition quantitation</li></ol><p>By providing this complete dataset in a single run, Stellar MS dramatically accelerates <strong>method optimization and validation</strong>, supporting more efficient and reliable quantitation strategies.</p><h3><strong>Driving method development efficiency</strong></h3><p>The real strength of the Stellar MS isn’t just its speed or sensitivity — it’s the ability to <strong>experiment, compare, and decide</strong> in one workflow.<br><br>Through simultaneous HCD/CID fragmentation, MS² and MS³ switching, and polarity control, users can determine the optimal analytical conditions across complex steroid panels quickly and confidently.</p><p><strong>This approach helps labs:</strong></p><ul><li>Reduce development time</li><li>Maximize data quality</li><li>Improve long-term robustness and reproducibility</li></ul><h3><strong>Conclusion</strong></h3><p>The <strong>Stellar MS</strong> platform empowers analytical scientists to move beyond incremental performance metrics toward <strong>methodological innovation</strong>.</p><p>By integrating comprehensive characterization and advanced scanning control, it enables faster, more confident decisions in quantitative steroid analysis — setting a new benchmark for flexibility and precision in LC-MS.</p><p><strong>Ask the Experts: On-Demand Webinar</strong></p><p>Learn more about how Stellar MS enhances steroid profiling and quantitative workflows.<br><strong>Watch the on-demand webinar where Thermo Fisher scientists discuss:</strong></p><ul><li>Advanced method development strategies</li><li>Insights from the steroid panel dataset</li><li>Practical examples of leveraging Stellar’s flexibility for confident quantitation</li></ul><blockquote><p><strong>Watch now: </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/webinar/5117"><strong>Unlocking the Power of Quantitative Analysis with Stellar MS</strong></a></p><p><strong>Read the full application note:</strong><i><strong> </strong></i><a target="_blank" rel="noopener noreferrer" href="https://lcms.cz/paper/32415"><i><strong>Selective and sensitive measurement of 17 steroids in human serum using a Stellar mass spectrometer</strong></i></a></p></blockquote><ul><li>Learn more about<strong> </strong><a target="_blank" rel="noopener noreferrer" href="https://www.thermofisher.com/content/lifetech/global/en/home/industrial/mass-spectrometry/liquid-chromatography-mass-spectrometry-lc-ms/lc-ms-systems/orbitrap-lc-ms/stellar-mass-spectrometer/stellar-mass-spectrometer-applications.html"><strong>Stellar Mass Spectrometer applications</strong></a></li><li><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>#MassSpectrometry #ClinicalResearch #LCMS #StellarMS</li></ul><blockquote><h5><strong>Dane Walker</strong></h5><p>Dane Walker is Regional Marketing Manager at Thermo Fisher Scientific, focused on LC-MS systems across EMEA. With a PhD in Surface Science and a background in scientific instrumentation, he blends technical expertise with strategic marketing to drive data-led campaigns. Passionate about communicating science and enabling innovation, Dane enjoys powerboating, cycling, stargazing, and talking endlessly about mass spectrometry.</p></blockquote>

Advancing Steroid Quantification: Unlocking Sensitivity and Selectivity with the Thermo Scientific Stellar Mass Spectrometer

<h4><strong>The problem&nbsp;</strong></h4><p>We live in a “global village” but we are all different and we use many different languages to communicate.&nbsp;</p><p>Even when people speak the same language, the same words may be used with different meanings. See, for example, some different uses of the word “standard” in English – a normative document, a solution of known concentration or even a type of flag.&nbsp;</p><p>Even in the same area of activity misunderstandings do occur which may result in a waste of time and money, or even worse consequences.&nbsp;</p><p>When talking about laboratory tests, lack of a full understanding of key terms and inappropriate translations leaves room for different interpretations of stated requirements. For example, there have historically been a number of different but related uses of the term ‘<strong>detection limit’</strong>. This may lead to inadequate fulfilment of those requirements, thus becoming an obstacle to the production of analytical data that is fit for its intended use. A shared interpretation of concepts related to quality in measurement between laboratories and accreditation bodies is also crucial for a fair and harmonised approach to laboratory assessment across the world.&nbsp;</p><h4><strong>A common language&nbsp;</strong></h4><p>We need a <strong>common language</strong>; clear and unambiguous. We need a common vocabulary to provide consistent definitions of concepts with their associated terms. To this end, several organisations participate in a joint effort to develop and maintain an <strong>international vocabulary of metrology</strong> (VIM) [1], which aims to achieve a unique understanding of concepts related to measurements across all sectors. The VIM is a normative reference in the standards <strong>ISO/IEC 17025, ISO 15189 and ISO/IEC 17043</strong>, and is therefore a key document for all organisations seeking accreditation.&nbsp;</p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_You_talk_we_understand_The_way_out_of_the_tower_of_Babel_Standards_8d947dbd5f.jpg" alt="Eurachem: You talk, we understand – The way out of the tower of Babel_A common language" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_You_talk_we_understand_The_way_out_of_the_tower_of_Babel_Standards_8d947dbd5f.jpg 245w," sizes="100vw" width="1126" height="499"></p><h4><strong>Is this enough?&nbsp;</strong></h4><p>For laboratory staff some problems still stand and need to be addressed:&nbsp;</p><ul><li>Many people are confused about both concepts and terms.&nbsp;</li><li>It may be difficult to understand the “formal” VIM definitions – they are short statements intended to apply to many different measurement sectors.</li><li>Translations into local languages may add to the confusion, e.g. if different terms are used in different sectors for the same VIM concept and the translator overlooks this issue.</li><li>Some substantial changes to terminology have been made in an attempt to accommodate chemical and biological measurements. Some “old” concepts still stand but have new names, e.g. “within laboratory reproducibility” vs. “intermediate precision”.&nbsp;</li></ul><p>To address these issues Eurachem has produced a guide [2] which provides an accessible reference containing simple and in context explanations of terms most relevant to analysts, with additional examples relating those concepts to chemical and biological measurements.&nbsp;</p><h4><strong>Do you understand the meaning of these terms?&nbsp;</strong></h4><p>Are you interested in a <strong>quantity</strong> or a quality? Depending on the answer, will you use a <strong>measurement</strong> <strong>procedure</strong> or an examination? Is method <strong>verification</strong> the same or less demanding than method <strong>validation</strong>? Do you need a <strong>calibration</strong> or just performance verification? Do you have a <strong>measurement standard</strong> in your laboratory? Is <strong>metrological traceability</strong> something you worry about? These are examples of the terms supporting the reliability of any measurement result that need to be clearly understood.&nbsp;</p><h5><strong>Example – Accuracy, trueness, precision: are they synonyms?&nbsp;</strong></h5><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Eurachem_You_talk_we_understand_The_way_out_of_the_tower_of_Babel_accuracy_231e1e005e.jpg" alt="Eurachem: You talk, we understand – The way out of the tower of Babel_Example – Accuracy, trueness, precision" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Eurachem_You_talk_we_understand_The_way_out_of_the_tower_of_Babel_accuracy_231e1e005e.jpg 146w," sizes="100vw" width="754" height="807"></p><ul><li>Closeness between measurement results (relating to the concept of precision)</li><li>Closeness of the average of the measurement results to a reference value (relating to the concept of trueness)&nbsp;</li><li>Closeness of an individual measurement result to the true value (relating to the concept of accuracy)&nbsp;</li></ul><p>The different situations in the figure show the effect of:&nbsp;</p><ol style="list-style-type:lower-latin;"><li>poor precision and trueness (imprecise and biased)&nbsp;</li><li>good precision, poor trueness (precise but biased)&nbsp;</li><li>poor precision, good trueness (imprecise but unbiased)&nbsp;</li><li>good precision and trueness (precise and unbiased)&nbsp;</li></ol><p>Improving both precision and trueness is expected to improve accuracy.&nbsp;</p><h4><strong>Is all this relevant to you?&nbsp;</strong></h4><p>Do you work in a laboratory, either as an analyst, quality manager or director? Are you involved in other activities related to analytical work, such as providing proficiency tests, producing reference materials or accrediting any such activity? Do you teach or study subjects related to measurements? Do you use measurement results or prescribe how to use them? <i><strong>If the answer is yes to any of these questions, the following reference documents are also for you</strong></i>.</p>

You talk, we understand – The way out of the tower of Babel

<p><strong>Visit the LabRulez booth at </strong><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/events/871"><strong>analytica 2026</strong></a><strong> in Munich, 24. - 27. March 2026! You can find us in Hall A1, Booth A1.506. At the booth, you will be able to explore live demonstrations of how the LabRulez portals work and see selected analytical instruments from our pre-owned marketplace section.</strong></p><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Lab_Rulez_at_Analytica_2026_Floor_plan_55e1057e03.jpg" alt="LabRulez at Analytica 2026: Hall A1 Floor Plan and Booth Location" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Lab_Rulez_at_Analytica_2026_Floor_plan_55e1057e03.jpg 245w," sizes="100vw" width="1516" height="881"></p><h3><strong>Would you like to learn how the LabRulez portals work?</strong></h3><p>➡︎ <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/"><strong>LabRulezLCMS</strong></a><br>➡︎ <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/"><strong>LabRulezGCMS</strong></a><br>➡︎ <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/"><strong>LabRulezICPMS</strong></a></p><ul><li>A <strong>unique online solution</strong> for <strong>your marketing</strong></li><li>A <strong>targeted audience</strong> from the <strong>analytical chemistry community</strong></li><li><strong>Modern technologies</strong> and a unique concept</li><li><strong>Design optimized for most smart devices</strong> – PC, mobile, and tablet</li><li><strong>Advanced statistical tools</strong> fully available to users</li></ul><h3><strong>Services Offered</strong></h3><h4><strong>News + Company Updates</strong></h4><ul><li>Publish <strong>news related to your instrumentation, applications, services, events, job openings</strong>, and more</li><li><strong>News is shared</strong> both on our <strong>portals</strong> and across our <strong>social media channels</strong></li></ul><h4><strong>Library – All Documents in One Place</strong></h4><ul><li><strong>Applications, posters, presentations, technical articles, brochures, specifications</strong></li><li><strong>Fas</strong>t and <strong>advanced search</strong> capabilities</li><li>Over <strong>32,000 documents</strong> currently available in our database</li></ul><h4><strong>Webinars</strong></h4><ul><li><strong>Upcoming and on-demand webinars</strong> from the field of analytical chemistry</li><li>More than <strong>5,500 webinars</strong> covering chromatography, mass spectrometry, and spectroscopy</li></ul><h4><strong>Careers</strong></h4><ul><li><strong>Targeted job</strong> listings in <strong>analytical chemistry</strong></li><li>Clear filtering by specialization or location</li><li><strong>Increased visibility for job postings</strong></li></ul><h4><strong>Companies</strong></h4><ul><li><strong>Company profile</strong> with key information and contacts</li><li><strong>Integration of all your activities on our portal:</strong> News, Library documents, Webinars, Upcoming Events, Careers, and mentions by partners or customers</li><li><strong>Connection to your Products </strong>listed on LabRulez portals</li></ul><h4><strong>Products and Services</strong></h4><ul><li>Comprehensive <strong>overview of instrumental techniques and services</strong></li><li>Targeting the analytical chemistry community and customers in the growing online environment</li></ul><h4><strong>Marketplace</strong></h4><ul><li><strong>Buying and selling pre-owned analytical equipment</strong></li><li>We purchase analytical instrumentation of all brands and ages</li><li><strong>Sell your equipment through LabRulez</strong></li><li>Request and purchase <strong>complete systems, modules</strong>, or <strong>spare parts</strong> with warranty and service</li></ul><p><img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Lab_Rulez_at_analytica_2026_bazar_7edf4a0872.jpg" alt="LabRulez at analytica 2026" srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Lab_Rulez_at_analytica_2026_bazar_7edf4a0872.jpg 88w," sizes="100vw" width="1600" height="2844"></p><h3><strong>What Will Be on Display at Our Booth?</strong></h3><p>Come and explore selected spare parts and modules from our marketplace section. These include both new, tested, and pre-owned items.</p><h4><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar"><strong>LabRulezLCMS Marketplace</strong></a></h4><p><strong>Spare parts for LC/MS:</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar?category=378"><strong>Vacuum turbo pumps for LC/MS</strong></a></li></ul><p><strong>Spare parts for HPLC:</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar?category=397"><strong>Degassers for HPLC/UHPLC</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar?category=368&amp;search=valve"><strong>Automatic valves for HPLC</strong></a></li><li>HPLC components for Agilent 1100, 1200, and 1260 Infinity II series</li></ul><p><strong>Consumables:</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar?category=377"><strong>HPLC lamps</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/bazaar?category=48"><strong>HPLC columns</strong></a></li></ul><h4><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar"><strong>LabRulezGCMS Marketplace</strong></a></h4><p><strong>Spare parts for GC/MS:</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar?category=367&amp;search=turbo"><strong>Turbo pumps for GC/MS</strong></a></li></ul><p><strong>Spare parts for GC:</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar?category=366&amp;search=EPC"><strong>EPC modules</strong></a></li></ul><p><strong>Sample injection</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar/432"><strong>Autosampler 7693A for GC</strong></a></li></ul><p><strong>Consumables:</strong></p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/bazaar?category=7"><strong>GC columns </strong></a>and selected accessories</li></ul>

LabRulez at analytica 2026

Article

Product

Events

Application

Science and research

Video

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

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

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>

Wiley KnowItAll LC-MS Database Collection

The KnowItAll LC-MS Library offers access to an impressive collection of over 2.7 million high-quality mass spectra designed to accelerate spectral identification.

<h4><strong>KnowItAll LC-MS Library: Confident Identification Starts Here</strong></h4><p>Access over <strong>2.7 million high-quality LC-MS spectra</strong> with the KnowItAll LC-MS Library—designed to accelerate and streamline compound identification and classification.</p><h5><strong>Key Features:</strong></h5><ul><li>Includes <strong>four trusted LC-MS databases</strong> covering lipids, PFAS, polymers, drugs, and more</li><li>Each record features <strong>spectra, chemical structures, and metadata</strong></li><li>Continuously updated to provide the <strong>latest compound coverage</strong></li><li>Compatible with <strong>most MS instrument formats</strong></li><li><strong>Expert-reviewed</strong> for data accuracy and reliability</li></ul><h5><strong>Applications:</strong></h5><p>Ideal for <strong>environmental analysis, food safety, metabolomics, clinical research, QC</strong>, and more. This collection supports fast, reliable LC-MS workflows in both research and routine lab settings.</p><h5><strong>Database Coverage:</strong></h5><ul><li><strong>LC-MS – Class Rule-Based PFAS Library</strong>: Over 7,000 spectra</li><li><strong>LC-MS – Class Rule-Based Polymer Library</strong>: Over 202,000 spectra</li><li><strong>LC-MS – Class Rule-Based Lipids Library</strong>: Over 2.5 million spectra</li><li><strong>Wiley Registry of Tandem Mass Spectral Data: MSforID</strong>: 12,000 spectra</li></ul><p><i><strong>Extend your coverage with optional NIST bundles and other spectral libraries.</strong></i></p>

Wiley KnowItAll Solutions for LC-MS

LC Expert streamlines LC-MS workflows with automated processing, deconvolution, and MS/MS or accurate mass search. Combined with KnowItAll databases, it ensures fast and complete spectral analysis.

<h4><strong>Revolutionize Your LC-MS Workflow with KnowItAll LC Expert</strong></h4><p><strong>KnowItAll LC Expert</strong> brings speed and precision to LC-MS analysis. New in KnowItAll 2025, this tool automates <strong>deconvolution</strong>, <strong>processing</strong>, and <strong>spectral searches</strong>—turning hours of manual work into minutes.</p><h5><strong>Key Features:</strong></h5><ul><li><strong>Automated non-targeted LC-MS/MS analysis</strong><br>LC Expert processes raw chromatograms, extracts components, and matches MS/MS spectra to Wiley’s trusted databases.</li><li><strong>Targeted accurate mass identification</strong><br>Identify known compounds using accurate mass and structure databases with support for retention times and custom metadata.</li><li><strong>Advanced spectral search algorithms</strong><br>Use patented adaptive search and MSforID algorithms to explore similar or coeluted spectra when exact matches aren’t found.</li><li><strong>Access to premium LC-MS databases</strong><br>Includes millions of spectra from PFAS, polymer, lipid, and drug-related libraries. Expandable with NIST and Maurer libraries.</li><li><strong>Database building &amp; in-house data integration</strong><br>Build multi-technique databases using MineIt and import existing MSP collections. Easily manage compound records and raw data.</li><li><strong>Integrated tools for structure &amp; reporting</strong><br>Use ChemWindow for 2D structure drawing and ReportIt for automated documentation with spectra, tables, and annotations.</li></ul><h5><strong>Applications Across Fields:</strong></h5><p>Perfect for <strong>pharmaceuticals, forensics, metabolomics, environmental testing, cosmetics, materials science</strong>, and <strong>academic research</strong>.</p><h5><strong>Compatibility:</strong></h5><p>Vendor-neutral and supports multiple instruments and data formats—ensuring seamless integration and workflow continuity.</p><p><strong>Take your LC-MS analysis to the next level—faster, smarter, more reliable.</strong></p><p><strong>Learn more at:</strong> <a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com">sciencesolutions.wiley.com</a></p>

Wiley NIST/EPA/NIH Mass Spectral Library 2023

The 2023 NIST/EPA/NIH Mass Spectral Library is a major update from NIST's expert team, reflecting 40+ years of development. It’s an essential, trusted resource for accurate mass spectral analysis.

<h4><strong>Boost Your MS Workflow with the NIST 2023 Mass Spectral Library</strong></h4><p>The <strong>NIST/EPA/NIH Mass Spectral Library 2023</strong> is a major update to one of the world’s most trusted MS databases. Developed by NIST's expert team over four decades, it remains a vital tool for <strong>GC-MS and MS/MS</strong> analysis.</p><p><strong>What's Included:</strong></p><ul><li><strong>EI Library</strong>: 394,000 spectra, 341,600 unique compounds, now with <strong>AI-RI values</strong></li><li><strong>MS/MS Libraries</strong>: 2.3M+ spectra, 51,500+ compounds, 399,000+ precursor ions</li><li><strong>GC Retention Index Library</strong>: 491,700 RI values, 180,600 unique compounds</li><li><strong>NIST Software</strong>: MS Search, AMDIS, MS Interpreter</li></ul><p><strong>New in 2023:</strong></p><ul><li>40,000+ new EI compounds and 43,000+ spectra added</li><li>MS/MS coverage expanded by 60% over 2020 release</li><li>Enhanced compatibility with <strong>most MS platforms</strong> via Wiley</li></ul><p><strong>Even More with Wiley:</strong></p><ul><li>Combine with the <strong>Wiley Registry 2023</strong> for greater coverage</li><li>Add <strong>KnowItAll Software</strong> for advanced spectral analysis</li></ul><p>Compatible with most MS data systems. Learn more: <a target="_blank" rel="noopener noreferrer" href="https://sciencesolutions.wiley.com/compatibility">sciencesolutions.wiley.com/compatibility</a></p>

Wiley LC-MSⁿ Library of Drugs, Poisons and Their Metabolites, 2nd Edition

The Maurer/Wissenbach/Weber LC-MSⁿ Library, 2nd Ed., offers MS² and MS³ spectra for over 2,270 drugs and 3,600+ metabolites. It enables proven metabolite-based LC-MSⁿ screening and is one of the few libraries focused on metabolite spectra.

<h4><strong>Optimize LC-MSⁿ Screening with a Proven Metabolite-Based Library</strong></h4><p>The <strong>Maurer/Wissenbach/Weber LC-MSⁿ Library, 2nd Edition</strong>, offers a powerful screening method using <strong>MS² and MS³ spectra</strong> for over <strong>2,270 parent drugs</strong> and <strong>3,600+ metabolites</strong>. It’s one of the few libraries focused specifically on <strong>metabolite spectra</strong>, improving sensitivity, selectivity, and reducing false negatives in LC-MS analysis.</p><p>Developed for <strong>clinical and forensic applications</strong>, the library helps confirm compound identity and detect metabolites even when parent analytes are suppressed. It also reduces false positives through characteristic metabolite patterns.</p><p>Includes instrument-specific training materials on <strong>sample prep</strong>, <strong>chromatography</strong>, and <strong>MS settings</strong>.</p><h5><strong>Library Specs:</strong></h5><ul><li>Spectra: &gt;13,000</li><li>Structures: 10,787</li><li>Compounds: &gt;2,270</li><li>Metabolites/Artifacts: &gt;3,600</li><li>Endogenous Molecules: 90</li></ul><p>Search compound coverage at <a target="_blank" rel="noopener noreferrer" href="https://spectrabase.com/"><strong>compoundsearch.com</strong></a>.</p>

Wiley Registry of Tandem Mass Spectral Data – MSforID

The "Wiley Registry of Tandem Mass Spectral Data: MS for ID" consists of 12,048 positive and negative mode spectra of over 1,000 compounds of interest for forensics, toxicology, and pathology. 

<h4><strong>High Mass-Accuracy LC-MS/MS Library for Confident Identification</strong></h4><p>The <strong>Wiley Registry of Tandem Mass Spectral Data: MS for ID</strong> includes <strong>12,048 spectra</strong> in positive and negative modes covering <strong>1,163 compounds</strong> relevant to <strong>forensics, toxicology, and pathology</strong>—including drugs, pesticides, and pharmaceuticals.</p><p>Developed by the <strong>Oberacher team</strong> at Innsbruck Medical University under controlled conditions, the library offers <strong>~95% specificity</strong> and <strong>&gt;92% sensitivity</strong>. It delivers <strong>fast, reproducible results</strong> and is highly transferable across LC-MS/MS platforms.</p><p><strong>Highlights:</strong></p><ul><li>12,048 spectra for 1,000+ small bioorganic molecules</li><li>Optimized for high-accuracy identification</li><li>Includes advanced LC-MS/MS search algorithm</li><li>Compatible with most instrument formats</li></ul><p>Search compound coverage at: <a target="_blank" rel="noopener noreferrer" href="https://www.compoundsearch.com">www.compoundsearch.com</a></p>

Wiley LC-HR-MS/MS Library of Drugs, Poisons and Their Metabolites

The updated MMHW LC-HR-MS/MS library offers 5,500+ spectra of drugs, poisons, and metabolites. A trusted resource for toxicology, doping control, and environmental analysis.

<h4><strong>From the Leader in Spectral Data</strong></h4><p>The <i><strong>Maurer, Meyer, Helfer, Weber: LC-HR-MS/MS Library of Drugs, Poisons, and Their Metabolites, 2nd Edition</strong> </i>(MMHW) is one of the most comprehensive LC-MS resources for clinical and forensic toxicologists. Developed by Prof. Hans H. Maurer and his team, the database emphasizes metabolites essential for accurate toxicological screening.</p><p>This edition contains <strong>over 5,500 high-quality spectra</strong>, covering <strong>2,300+ parent drugs/poisons</strong> and <strong>3,200+ metabolites or artifacts</strong> across 100+ classification groups. Substances are categorized by toxicological relevance, with accompanying methods in PDF format.</p><p>The data is <strong>carefully curated and reviewed</strong> by experts, ensuring reliable compound identification. Wiley collaborates with major MS vendors, supporting multiple instruments and formats for seamless workflow integration.</p><h4><strong>Applications</strong></h4><p>The MMHW library is trusted worldwide for compound analysis and verification in:</p><ul><li>Clinical and forensic toxicology</li><li>Doping control</li><li>Environmental and food chemistry</li><li>Pharmacokinetics and pathology</li></ul><h4><strong>What’s New</strong></h4><p>The 2nd edition adds <strong>550+ new datasets</strong>, including designer drugs, cannabinoids, opioids, stimulants, and more.</p><h4><strong>Specifications</strong></h4><ul><li><strong>Spectra: </strong>5,558</li><li><strong>Structures: </strong>4,270</li><li><strong>Unique Compounds:</strong> 2,763</li><li><strong>Metabolites/Artifacts:</strong> &gt;3,250</li></ul><p><strong>Available in KnowItAll and NIST formats</strong>, this library remains a critical resource for accurate, sensitive, and selective LC-HR-MS/MS screening.</p><p>Search compound coverage at <a target="_blank" rel="noopener noreferrer" href="https://spectrabase.com/"><strong>compoundsearch.com</strong></a>.</p>

Products from category LCMS libraries - page 1

Related content

LabRulez at analytica 2026

Advancing Steroid Quantification: Unlocking Sensitivity and Selectivity with the Thermo Scientific Stellar Mass Spectrometer

You talk, we understand – The way out of the tower of Babel