Articles | Volume 21, issue 20
https://doi.org/10.5194/bg-21-4665-2024
https://doi.org/10.5194/bg-21-4665-2024
Reviews and syntheses
 | 
29 Oct 2024
Reviews and syntheses |  | 29 Oct 2024

Reviews and syntheses: Opportunities for robust use of peak intensities from high-resolution mass spectrometry in organic matter studies

William Kew, Allison Myers-Pigg, Christine H. Chang, Sean M. Colby, Josie Eder, Malak M. Tfaily, Jeffrey Hawkes, Rosalie K. Chu, and James C. Stegen

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Cited articles

Anderson, M. J., Crist, T. O., Chase, J. M., Vellend, M., Inouye, B. D., Freestone, A. L., Sanders, N. J., Cornell, H. V., Comita, L. S., Davies, K. F., Harrison, S. P., Kraft, N. J. B., Stegen, J. C., and Swenson, N. G.: Navigating the multiple meanings of β diversity: a roadmap for the practicing ecologist, Ecol. Lett., 14, 19–28, https://doi.org/10.1111/j.1461-0248.2010.01552.x, 2011. 
Bahureksa, W., Tfaily, M. M., Boiteau, R. M., Young, R. B., Logan, M. N., McKenna, A. M., and Borch, T.: Soil Organic Matter Characterization by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR MS): A Critical Review of Sample Preparation, Analysis, and Data Interpretation, Environ. Sci. Technol., 55, 9637–9656, https://doi.org/10.1021/acs.est.1c01135, 2021. 
Bao, H., Niggemann, J., Luo, L., Dittmar, T., and Kao, S.-J.: Molecular composition and origin of water-soluble organic matter in marine aerosols in the Pacific off China, Atmos. Environ., 191, 27–35, https://doi.org/10.1016/j.atmosenv.2018.07.059, 2018. 
Bhatia, M. P., Das, S. B., Longnecker, K., Charette, M. A., and Kujawinski, E. B.: Molecular characterization of dissolved organic matter associated with the Greenland ice sheet, Geochim. Cosmochim. Ac., 74, 3768–3784, https://doi.org/10.1016/j.gca.2010.03.035, 2010. 
Boye, K., Noël, V., Tfaily, M. M., Bone, S. E., Williams, K. H., Bargar, J. R., and Fendorf, S.: Thermodynamically controlled preservation of organic carbon in floodplains, Nat. Geosci., 10, 415–419, https://doi.org/10.1038/ngeo2940, 2017. 
Short summary
Natural organic matter (NOM) is often studied via Fourier transform mass spectrometry (FTMS), which identifies organic molecules as mass spectra peaks. The intensity of peaks is data that is often discarded due to technical concerns. We review the theory behind these concerns and show they are supported empirically. However, simulations show that ecological analyses of NOM data that include FTMS peak intensities are often valid. This opens a path for robust use of FTMS peak intensities for NOM.
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