An international laboratory comparison of dissolved organic matter composition by high resolution mass spectrometry: Are we getting the same answer?
dc.contributor.author
dc.date.accessioned
2021-05-19T09:37:41Z
dc.date.available
2021-05-19T09:37:41Z
dc.date.issued
2020-06
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1541-5856
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dc.description.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
dc.description.sponsorship
Research Funding:
Beatriu de Pinos. Grant Number: 2016‐00215
Division of Chemical, Bioengineering, Environmental, and Transport Systems. Grant Number: 1802388
Engineering and Physical Sciences Research Council. Grant Number: EP/L015307/1
French National FT‐ICR network. Grant Number: FR 3624 CNRS
H2020 European Research Council. Grant Number: ERC‐STG 716196
H2020 Marie Skłodowska‐Curie Actions. Grant Number: CHROME‐839709
National Science Foundation. Grant Number: AGS‐1531454
Newton Fund. Grant Number: 275910721
NIH. Grant Number: S10OD018475
Vetenskapsrådet. Grant Number: 2018‐04618
dc.format.mimetype
application/pdf
dc.language.iso
eng
dc.publisher
Wiley
dc.relation.isformatof
Reproducció digital del document publicat a: https://doi.org/10.1002/lom3.10364
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Limnology and Oceanography: Methods, 2020, vol. 18, núm. 6, p. 235-258
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Articles publicats (ICRA)
dc.rights
Attribution 4.0 International
dc.rights.uri
dc.title
An international laboratory comparison of dissolved organic matter composition by high resolution mass spectrometry: Are we getting the same answer?
dc.type
info:eu-repo/semantics/article
dc.rights.accessRights
info:eu-repo/semantics/openAccess
dc.type.version
info:eu-repo/semantics/publishedVersion
dc.identifier.doi
dc.type.peerreviewed
peer-reviewed