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

Data sets

FTICR MS data for standards and mixtures for quantitative peak intensity investigation W. Kew et al. https://doi.org/10.5281/zenodo.13887250

Model code and software

FTICR MS data for standards and mixtures for quantitative peak intensity investigation W. Kew et al. https://doi.org/10.5281/zenodo.13887250

Peak_Intensity_Sims J. C. Stegen https://github.com/stegen/Peak_Intensity_Sims

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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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