Academic Journal
Multi-Laboratory Assessment Reveals Variable Ion Species Profiles in Electrospray Ionization Mass Spectrometry.
| Τίτλος: | Multi-Laboratory Assessment Reveals Variable Ion Species Profiles in Electrospray Ionization Mass Spectrometry. |
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| Συγγραφείς: | Odenkirk MT; Department of Horticulture and Landscape Architecture, Colorado State University, Fort Collins, Colorado 80521, United States., Chaparro JM; Department of Horticulture and Landscape Architecture, Colorado State University, Fort Collins, Colorado 80521, United States.; Analytical Resources Core, Colorado State University, Fort Collins, Colorado 80521, United States., Montgomery NT; Analytical Resources Core, Colorado State University, Fort Collins, Colorado 80521, United States., Leaptrot KL; Department of Chemistry and Center for Innovative Technology, Vanderbilt University, Nashville, Tennessee 37240, United States., Sherrod SD; Department of Chemistry and Center for Innovative Technology, Vanderbilt University, Nashville, Tennessee 37240, United States., May JC; Department of Chemistry and Center for Innovative Technology, Vanderbilt University, Nashville, Tennessee 37240, United States., van Eekelen H; Business Unit Bioscience, Wageningen University & Research, Wageningen 6708 PB, The Netherlands., Schipper B; Business Unit Bioscience, Wageningen University & Research, Wageningen 6708 PB, The Netherlands., Chaura J; Business Unit Bioscience, Wageningen University & Research, Wageningen 6708 PB, The Netherlands., Velez GE; iÓMICAS Research Institute, Pontificia Universidad Javeriana Cali 760031, Colombia., Chathiran W; Institute of Nutrition, Mahidol University, Nakhonpathom 73170, Thailand., Michel CR; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of Colorado, Aurora, Colorado 80045, United States., Doenges KA; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of Colorado, Aurora, Colorado 80045, United States., Reisdorph R; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of Colorado, Aurora, Colorado 80045, United States., Maeda-Yamamoto M; Institute of Food Research, National Agriculture and Food Research Organization (NARO), Tsukuba Ibaraki 305-8642, Japan., Valdiviez L; West Coast Metabolomics Center, Davis, California 95616, United States., Keshet U; West Coast Metabolomics Center, Davis, California 95616, United States., Wells J; West Coast Metabolomics Center, Davis, California 95616, United States., Mackell S; West Coast Metabolomics Center, Davis, California 95616, United States., Bell D; Department of Infectious Diseases, Faculty of Medicine, Imperial College London, London SW7 2AZ, U.K., Tapia Leiva S; Department of Infectious Diseases, Faculty of Medicine, Imperial College London, London SW7 2AZ, U.K., Partridge S; Department of Infectious Diseases, Faculty of Medicine, Imperial College London, London SW7 2AZ, U.K., Rago D; Novo Nordisk Foundation Center for Biosustainability, Danmarks Tekniske Universitet, Kongens Lyngby 2800, Denmark., Ahonen L; Novo Nordisk Foundation Center for Biosustainability, Danmarks Tekniske Universitet, Kongens Lyngby 2800, Denmark., Ito Y; Shimadzu Corporation, Kyoto 604-8511, Japan., Read ML; Department of Horticulture and Landscape Architecture, Colorado State University, Fort Collins, Colorado 80521, United States., Evans JC; Department of Horticulture and Landscape Architecture, Colorado State University, Fort Collins, Colorado 80521, United States., Gruszczynski MJ; Department of Horticulture and Landscape Architecture, Colorado State University, Fort Collins, Colorado 80521, United States., Szalach L; Department of Horticulture and Landscape Architecture, Colorado State University, Fort Collins, Colorado 80521, United States., Boyko SC; Department of Horticulture and Landscape Architecture, Colorado State University, Fort Collins, Colorado 80521, United States., Watkins S; Verso Biosciences, Davis, California 95618, United States., Ledesma Amaro R; Department of Infectious Diseases, Faculty of Medicine, Imperial College London, London SW7 2AZ, U.K., Fiehn O; West Coast Metabolomics Center, Davis, California 95616, United States., Reisdorph N; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of Colorado, Aurora, Colorado 80045, United States., Srichamnong W; Institute of Nutrition, Mahidol University, Nakhonpathom 73170, Thailand., Jaramillo-Botero A; Business Unit Bioscience, Wageningen University & Research, Wageningen 6708 PB, The Netherlands., de Vos RCH; Business Unit Bioscience, Wageningen University & Research, Wageningen 6708 PB, The Netherlands., Hall RD; Business Unit Bioscience, Wageningen University & Research, Wageningen 6708 PB, The Netherlands., McLean JA; Department of Chemistry and Center for Innovative Technology, Vanderbilt University, Nashville, Tennessee 37240, United States., Broeckling CD; Analytical Resources Core, Colorado State University, Fort Collins, Colorado 80521, United States., Prenni JE; Department of Horticulture and Landscape Architecture, Colorado State University, Fort Collins, Colorado 80521, United States. |
| Πηγή: | Journal of the American Society for Mass Spectrometry [J Am Soc Mass Spectrom] 2026 Jun 03; Vol. 37 (6), pp. 1376-1390. Date of Electronic Publication: 2026 May 06. |
| Τύπος έκδοσης: | Journal Article |
| Γλώσσα: | English |
| Στοιχεία περιοδικού: | Publisher: ACS Publications Country of Publication: United States NLM ID: 9010412 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1879-1123 (Electronic) Linking ISSN: 10440305 NLM ISO Abbreviation: J Am Soc Mass Spectrom Subsets: MEDLINE |
| Imprint Name(s): | Publication: 2020- : Washington, DC : ACS Publications Original Publication: New York, NY : Elsevier, c1990- |
| Ιατρικοί όροι (MeSH): | Spectrometry, Mass, Electrospray Ionization*/methods , Spectrometry, Mass, Electrospray Ionization*/standards , Spectrometry, Mass, Electrospray Ionization*/instrumentation , Ions*/analysis , Ions*/chemistry , Laboratories*/standards |
| Περίληψη: | Electrospray ionization (ESI) is a foundational technique in mass spectrometry (MS) widely applied to measure nonvolatile molecules in diverse chemical and biological samples. Yet variation in ESI-MS instrumentation, operating settings, and parameters such as solvent composition creates specific, local ionization environments that drive the formation of select ion species for individual analytes. As ESI continues to advance analytical discovery, understanding the extent to which variation in ion species formation impacts intra- and inter-experimental results is essential. Here, we assessed ion species formation by analyzing an internal retention time standard (IRTS) mixture across ten laboratories employing high-resolution ESI-MS instrumentation from four vendors (Agilent Technologies, ThermoFisher Scientific, Shimadzu Corporation, and Waters Corporation). Instrument vendors were considered not as a benchmark of performance, but as a practical framework to capture differences in source design, ion optics, and analyzer/detectors that are inherently coupled to commercial platforms. Despite the use of standardized extraction and chromatographic protocols, differences in instrument configuration, source conditions, and method execution resulted in variation in ion species formation across vendors, among laboratories using instruments from the same vendor, and even within individual laboratories. These findings demonstrate that, even with standardized methods, the collective influence of local ionization environments on ion species formation remains a critical obstacle for interpreting LC-MS small molecule data and improving reproducibility and comparability across studies. |
| Σχόλια: | Erratum in: J Am Soc Mass Spectrom. 2026 Jun 9. doi: 10.1021/jasms.6c00211.. (PMID: 42262860) |
| Contributed Indexing: | Keywords: electrospray (ESI); ionization; mass spectrometry (MS); metabolomics; molecule |
| Substance Nomenclature: | 0 (Ions) |
| Entry Date(s): | Date Created: 20260506 Date Completed: 20260610 Latest Revision: 20260610 |
| Update Code: | 20260611 |
| DOI: | 10.1021/jasms.6c00011 |
| PMID: | 42089590 |
| Βάση Δεδομένων: | MEDLINE |
| ISSN: | 1879-1123 |
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| DOI: | 10.1021/jasms.6c00011 |