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Leveraging LC-MS for Accurate Metabolite Identification (MetID) in Drug Discovery & Development - AnalyteGuru

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aria-label="breadcrumb separator">/</span> <span class="breadcrumb-link-wrap"><a class="breadcrumb-link" href="https://www.thermofisher.com/blog/analyteguru/biopharmaceutical/"><span class="breadcrumb-link-text-wrap">Biopharmaceutical</span></a><meta ></span> <span aria-label="breadcrumb separator">/</span> <span class="breadcrumb-current-title">Leveraging LC-MS for Accurate Metabolite Identification (MetID) in Drug Discovery &amp; Development</span></div></div></header><div class="site-inner"><div class="content-sidebar-wrap"><main class="content"><article class="post-17732 post type-post status-publish format-standard has-post-thumbnail category-biopharmaceutical category-lc-ms tag-biopharmaceutical tag-metabolite-identification tag-metid entry" aria-label="Leveraging LC-MS for Accurate Metabolite Identification (MetID) in Drug Discovery &amp; Development"><header class="entry-header"><h1 class="entry-title">Leveraging LC-MS for Accurate Metabolite Identification (MetID) in Drug Discovery &amp; Development</h1> <span class="post-info-author"> By <a href="https://www.thermofisher.com/blog/analyteguru/tf-author/sven-hackbusch/" title="Posts by Sven Hackbusch | Sebastien Morin" rel="author">Sven Hackbusch | Sebastien Morin, Thermo Fisher Scientific</a> </span> <span class="post-info-date"> 05.07.2024 </span> </header><div class="entry-content"> <p><em>This is the third of a three-part series on Thermo Fisher Scientific鈥檚 analytical instrument solutions for metabolite identification in the small molecule drug development process. To catch up on parts one and two, see the links below.<u></u></em></p> <figure class="wp-block-image size-large"><img decoding="async" width="1024" height="802" src="https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/05/MetID-No.-3-1024x802.jpg" alt="" class="wp-image-17738" srcset="https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/05/MetID-No.-3-1024x802.jpg 1024w, https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/05/MetID-No.-3-300x235.jpg 300w, https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/05/MetID-No.-3-768x602.jpg 768w, https://www.thermofisher.com/blog/analyteguru/wp-content/uploads/sites/25/2024/05/MetID-No.-3.jpg 1200w" sizes="(max-width: 1024px) 100vw, 1024px" /></figure> <h3 class="wp-block-heading" id="h-why-metid-is-so-important"><strong>Why MetID is so important</strong></h3> <p>Metabolite identification (MetID) is a crucial and integral part of drug discovery and development. In this context, metabolism describes the breakdown and conversion of xenobiotics into molecules that can be excreted from the body. However, rapid metabolism reduces the duration and potential efficacy of pharmaceuticals, so in early drug discovery stages, metabolic profiling is employed to identify metabolic soft spots to inform optimization of lead compounds to attain desired pharmacokinetics. Additionally, metabolic profiling plays a critical role in evaluating the safety of the molecule, as in some cases the intermediates in the drug metabolism can have toxic effects.</p> <h3 class="wp-block-heading" id="h-metid-requires-the-proper-tools"><strong>MetID requires the proper tools</strong></h3> <p>Although this is a critical part of the drug development process, having improper tools to assess drug metabolism can lead to serious and costly implications during clinical phases and, ultimately, to no commercial product. Fortunately, there are fit for purpose and advanced tools to avoid any pitfalls related to improper MetID assessment.</p> <p>Along with NMR, the predominant tool for identification of drug biotransformation products is liquid chromatography coupled with mass spectrometry (LC-MS). However, not all LC-MS instrumentations can provide sensitive and meaningful data to provide crucial information for structure elucidation, enabling identification of the site of metabolism. Additionally, advanced data processing software tools are crucial to allow proper metabolite identification.</p> <h3 class="wp-block-heading" id="h-read-the-whitepaper"><strong>Read the whitepaper</strong></h3> <p>In this whitepaper, <a href="https://assets.thermofisher.com/TFS-Assets/CMD/Reference-Materials/wp-002154-lsms-orbitrap-iqx-dia-wp002154-na-en.pdf" target="_blank" rel="noreferrer noopener">Increased confidence in drug metabolite identification through intelligent data acquisition strategies and multiple fragmentation techniques on the Orbitrap Tribrid MS platform</a>, Hackbusch <em>et al.</em> demonstrate the benefits of using advanced acquisition strategies, multistage fragmentation (MS<sup>n</sup>) and orthogonal fragmentation techniques to increase confidence in drug metabolite identification.</p> <h3 class="wp-block-heading" id="h-related-information"><strong>Related information</strong></h3> <p>Blog Part 1 of 3:聽<a href="https://www.thermofisher.com/blog/analyteguru/speed-up-drug-development-process/" target="_blank" rel="noreferrer noopener">Speed up Drug Development Process With Fit-for-Purpose Metabolite Identification Solutions</a><br>Blog Part 2 of 3: <a href="https://www.thermofisher.com/blog/analyteguru/advanced-lc-ms-tools-and-software-solutions-to-ease-your-metabolite-identification-challenges/" target="_blank" rel="noreferrer noopener">Advanced LC-MS Tools and Software Solutions to Ease Your Metabolite Identification Challenges</a><br>Blog: <a href="https://www.thermofisher.com/blog/analyteguru/metabolite-identification-solutions-showcased-at-great-lakes-dmdg-2024-meeting/" target="_blank" rel="noreferrer noopener">Metabolite Identification Solutions Showcased at Great Lakes DMDG 2024 Meeting</a></p> <p>On LinkedIn? Visit our&nbsp;<a href="https://www.linkedin.com/showcase/chromatography-&amp;-mass-spectrometry/posts/?feedView=all" target="_blank" rel="noreferrer noopener">LinkedIn page</a>&nbsp; #pharmaceutical #biopharmaceutical #MetID #CMD</p> </div></article><section class="author-box"><h4 class="author-box-title">Sven Hackbusch | Sebastien Morin</h4><div class="author-box-content" itemprop="description">Sven Hackbusch is a Senior Application Scientist at Thermo Fisher Scientific, responsible for the development of LC/MS applications related to the identification and structural elucidation of unknown compounds in collaboration with customers in the Pharma/Biopharma markets. | Sebastien Morin is a Business Development Manager for the Pharma and Biopharma market at Thermo Fisher Scientific, having spent several years in both industry, and sales and marketing. Sebastien has a particular interest in small molecules drug discovery, having worked several years as a medicinal chemist prior to joining Thermo Fisher.</div></section><div class="adjacent-entry-pagination pagination"><div class="pagination-previous alignleft"><i class="fa fa-icon fa-chevron-left"></i> <a href="https://www.thermofisher.com/blog/analyteguru/pfas-and-pesticide-testing-how-quality-consumables-improve-your-method-precision/" rel="prev">PFAS and Pesticide Testing: How Quality Consumables Improve Your Method Precision</a></div><div class="pagination-next alignright"><a href="https://www.thermofisher.com/blog/analyteguru/using-isotope-analysis-to-understand-phosphorus-cycling-changes/" rel="next">Using Isotope Analysis to Understand Phosphorus Cycling Changes</a> <i class="fa fa-icon fa-chevron-right"></i></div></div></main></div></div><footer class="site-footer"><div class="wrap"><div class="creds"><p class="footer-links"><a href="https://corporate.thermofisher.com/en/footer/privacy-statement.html" target="_blank" rel="noopener noreferrer">Privacy Statement</a><a href="https://corporate.thermofisher.com/en/footer/terms-and-conditions.html" target="_blank" rel="noopener noreferrer">Terms &amp; Conditions</a><a href="/blog/locations/">Locations</a><a href="/blog/sitemap/">Sitemap</a></p><p>&copy; 2025 <a href="https://www.thermofisher.com">Thermo Fisher Scientific</a>. 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