An international laboratory comparison of dissolved organic matter composition by high resolution mass spectrometry: Are we getting the same answer?

Authors

• 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

Document Type

Article

Publication Date

6-1-2020

Department

Department of Chemistry

Abstract

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.

Publisher's Statement

© 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

Recommended Citation

Hawkes, J., D'Andrilli, J., Agar, J., Barrow, M., Berg, S., Catalán, N., Chen, H., Chu, R., Cole, R., Dittmar, T., Gavard, R., Gleixner, G., Hatcher, P., He, C., Hess, N., Hutchins, R., Ijaz, A., Jones, H., Kew, W., Khaksari, M., Palacio Lozano, D., Lv, J., Mazzoleni, L., Noriega-Ortega, B., Osterholz, H., Radoman, N., Zhang, S., Zito, P., & Podgorski, D. (2020). An international laboratory comparison of dissolved organic matter composition by high resolution mass spectrometry: Are we getting the same answer?. Limnology and Oceanography: Methods, 18(6), 235-258. http://doi.org/10.1002/lom3.10364
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/2013

Creative Commons License

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

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Publisher's PDF