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Balancing AI, Throughput, and Data Quality in Mass Spectrometry

Experts at ASMS 2026 discuss fit-for-purpose throughput, laboratory economics, long-read proteomics, and the role of AI in more efficient mass spectrometry workflows.
Written byAimee Cichocki
InterviewingNeil Kelleher, PhD, Dr. Matthew Lewis, Warren Potts, James Hallam, Jose Castro-Perez, and Konstantinos Thalassinos

How fast is fast enough in mass spectrometry? For laboratories handling large sample cohorts, the answer may seem simple: the more samples processed, the better. But the experts we spoke to at ASMS 2026 compilation argue for a more measured approach. Throughput is important, but only when it supports the scientific question without weakening data quality.

That distinction becomes significant in population-scale research and exposome studies, where scientists may need to analyze samples from hundreds of thousands of people. These projects require scalable methods. Yet pushing a workflow to its limits can force trade-offs in analytical depth or confidence. Rather than chasing the highest possible number, laboratories should ask whether a method delivers the speed and quality their application demands.

The discussion applies the same thinking to instrument purchases. Acquisition price often drives the decision, especially when budgets remain tight. However, the lowest upfront cost may not produce the best long-term return. A system that improves uptime, reduces manual work, or processes samples more efficiently could save money over its lifetime. The more useful question is not simply “What does it cost?” but “What value does it bring to the operation?”

This focus on value also shapes emerging areas of research, such as growing interest in intact proteins and proteoforms, an approach described as “long-read proteomics.” Traditional bottom-up proteomics breaks proteins into smaller peptides before analysis. Measuring whole proteins can preserve information about the different molecular forms found in the body, offering another route to understanding biological function and disease. Once viewed as a niche field, proteoform research now occupies a more prominent place at ASMS.

Artificial intelligence runs through much of the conversation. Some laboratories already use machine learning to process data across large sample sets with less manual intervention. AI tools could also support method development, generate reports, flag questionable peak integrations, and help scientists focus their attention on results that need review.

Instrument maintenance offers another practical use. By learning from previous faults, an AI system could help diagnose problems, recommend preventive action, or ensure that a service engineer arrives with the right replacement part. These applications could reduce downtime and help laboratories maintain consistent performance.

Experts stop short of treating AI as a replacement for scientific judgment. They see it as an assistant that can handle repetitive work and guide decisions while keeping a person in control. That oversight matters because every model depends on its training data. In protein science, tools such as AlphaFold have transformed structure prediction, but they have not answered every question. Protein-folding kinetics, intrinsically disordered regions, and protein interactions still present major challenges. Experimental measurements remain essential for filling those gaps and building better models.

The takeaway is one of balance. Laboratories need speed, but they also need trustworthy data. They need advanced technology, but they must justify the investment. AI can make mass spectrometry workflows more efficient, yet scientists still provide the context and judgment that turn results into insight.

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Meet the Author(s):

  • Aimee Cichocki is the Editorial Director at Separation Science and Chromatography Forum. Aimee brings a broad range of experience in creating, editing, and formatting scientific content. With a degree in medicinal chemistry, a 10-year background in formulation chemistry, an MBA, and a diverse background in publishing, Aimee guides editorial initiatives at Separation Science and Chromatography Forum. Aimee is dedicated to ensuring the delivery of informative, reliable, and practical content to our audience of analytical scientists.

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Interviewing

  • Neil Kelleher

    Neil Kelleher, PhD, is a Professor at Northwestern University, holding appointments in Molecular Biosciences, Chemistry, and Medicine. A pioneer of top-down proteomics, his research focuses on mass spectrometry, natural product discovery, and cancer biology. He leads the Human Proteoform Project, a global effort to catalogue human proteins and accelerate disease research and drug development. Kelleher earned his PhD from Cornell University and completed postdoctoral work at Harvard Medical School. He has authored over 300 publications and founded the Consortium for Top-Down Proteomics.

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    Dr. Matthew Lewis is the Vice President of Metabolomics & Lipidomics at Bruker Daltonics and Head of Markets at TOFWERK. For the past 25 years, Lewis has pursued his interests in better understanding biochemical processes and improving the analytical tools and techniques used to measure them. At Imperial College London, he served as the chief operating officer of the UK's National Phenome Centre and head of the academic section of Bioanalytical Chemistry in the Faculty of Medicine. Here, he worked to advance the understanding of human disease phenotypes using advanced bioanalytical and data analysis techniques for metabolic profiling at a previously unprecedented scale. Lewis transitioned to industry in 2022 to more directly further the development of research-enabling solutions through his role at Bruker Daltonics. He takes great pleasure in extensive engagement in interdisciplinary team science and large-scale scientific collaborations, supporting advancements in the fields of metabolomics and lipidomics.

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    Warren B. Potts is Vice President and General Manager of the Gas Phase Division at Agilent Technologies, based in Worcester, Massachusetts. He is a seasoned sales and marketing executive with a strong track record of leading and transforming teams, driving revenue growth, and expanding business across global markets. Warren brings deep expertise in sales management, business strategy, marketing strategy, business development, and team leadership, and is passionate about applying cutting-edge science to solve real-world problems. He values the opportunity to use his global commercial experience to shape strategic plans that drive profitable growth while making a positive impact on the world. At Agilent, his work spans the company's gas-phase technologies, including gas chromatography systems, supporting industries from environmental testing to clean energy and semiconductor manufacturing.

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    James Hallam is VP & GM, Research, Development & Advanced Testing at Waters. With a background in chemistry from the University of Nottingham, he has held diverse leadership roles across sales, marketing, and R&D.

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    Jose Castro-Perez is the Vice President of Product Management at SCIEX. He oversees the global portfolio for CE, LC/MS, software and accessories, managing product lines, technology roadmaps, development and growth. With 25 years in Pharma, CRO, and Biotech, he previously held senior marketing and business development roles at Waters. Since joining SCIEX in 2019 as Senior Director of Accurate Mass Product Management, he has led strategy and execution across that portfolio and directed market development efforts. Jose holds a BSc in Chemistry from King’s College London, an MSc from the University of Surrey, and a PhD in Metabolomics from Leiden University.

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    Professor Konstantinos Thalassinos is based at the Institute of Structural and Molecular Biology, a joint venture between UCL and Birkbeck, where he leads research in advanced mass spectrometry. He serves as Academic Lead for the UCL Mass Spectrometry Science Technology Platform (MS-STP), providing researchers with the instrumentation and specialist expertise needed to tackle complex biological questions.

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