Jeffrey A. Hawkes, Uppsala Biomedicinska Centrum
Juliana D'Andrilli, Louisiana Universities Marine Consortium
Jeffrey N. Agar, Northeastern University
Mark P. Barrow, The University of Warwick
Stephanie M. Berg, University of Wisconsin-Madison
Núria Catalán, Catalan Institute for Water Research
Hongmei Chen, Old Dominion University
Rosalie K. Chu, Environmental Molecular Sciences Laboratory
Richard B. Cole, Sorbonne Universite
Thorsten Dittmar, Universität Oldenburg
Rémy Gavard, The University of Warwick
Gerd Gleixner, Max Planck Institute for Biogeochemistry
Patrick G. Hatcher, Old Dominion University
Chen He, State Key Laboratory of Heavy Oil Processing
Nancy J. Hess, Environmental Molecular Sciences Laboratory
Ryan H.S. Hutchins, University of Alberta
Amna Ijaz, Michigan Technological UniversityFollow
Hugh E. Jones, The University of Warwick
William Kew, Environmental Molecular Sciences Laboratory
Maryam Khaksari, Michigan Technological UniversityFollow
Diana Catalina Palacio Lozano, The University of Warwick
Jitao Lv, Research Center for Eco-Environmental Sciences Chinese Academy of Sciences
Lynn Mazzoleni, Michigan Technological UniversityFollow
Beatriz E. Noriega-Ortega, Leibniz-Institute of Freshwater Ecology and Inland Fisheries
Helena Osterholz, Universität Oldenburg
Nikola Radoman, Stockholms universitet
Shuzhen Zhang, Chinese Academy of Sciences
Phoebe Zito, University of New Orleans, New Orleans
David C. Podgorski, University of New Orleans, New Orleans

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Department of Chemistry


High-resolution mass spectrometry (HRMS) has become a vital tool for dissolved organic matter (DOM) characterization. The upward trend in HRMS analysis of DOM presents challenges in data comparison and interpretation among laboratories operating instruments with differing performance and user operating conditions. It is therefore essential that the community establishes metric ranges and compositional trends for data comparison with reference samples so that data can be robustly compared among research groups. To this end, four identically prepared DOM samples were each measured by 16 laboratories, using 17 commercially purchased instruments, using positive-ion and negative-ion mode electrospray ionization (ESI) HRMS analyses. The instruments identified ~1000 common ions in both negative- and positive-ion modes over a wide range of m/z values and chemical space, as determined by van Krevelen diagrams. Calculated metrics of abundance-weighted average indices (H/C, O/C, aromaticity, and m/z) of the commonly detected ions showed that hydrogen saturation and aromaticity were consistent for each reference sample across the instruments, while average mass and oxygenation were more affected by differences in instrument type and settings. In this paper we present 32 metric values for future benchmarking. The metric values were obtained for the four different parameters from four samples in two ionization modes and can be used in future work to evaluate the performance of HRMS instruments.

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© 2020 The Authors. Limnology and Oceanography: Methods published by Wiley Periodicals, Inc. on behalf of Association for the Sciences of Limnology and Oceanography

Publication Title

Limnology and Oceanography: Methods

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Creative Commons Attribution 4.0 International License
This work is licensed under a Creative Commons Attribution 4.0 International License.


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