Data‐Driven Compound Identification in Atmospheric Mass Spectrometry

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Abstract: Aerosol particles found in the atmosphere affect the climate and worsen air quality. To mitigate these adverse impacts, aerosol particle formation and aerosol chemistry in the atmosphere need to be better mapped out and understood. Currently, mass spectrometry is the single most important analytical technique in atmospheric chemistry and is used to track and identify compounds and processes. Large amounts of data are collected in each measurement of current time‐of‐flight and orbitrap mass spectrometers using modern rapid data acquisition practices. However, compound identification remains a major bottleneck during data analysis due to lacking reference libraries and analysis tools. Data‐driven compound identification approaches could alleviate the problem, yet remain rare to non‐existent in atmospheric science. In this perspective, the authors review the current state of data‐driven compound identification with mass spectrometry in atmospheric science and discuss current challenges and possible future steps toward a digital era for atmospheric mass spectrometry.

Standort
Deutsche Nationalbibliothek Frankfurt am Main
Umfang
Online-Ressource
Sprache
Englisch

Erschienen in
Data‐Driven Compound Identification in Atmospheric Mass Spectrometry ; day:14 ; month:12 ; year:2023 ; extent:17
Advanced science ; (14.12.2023) (gesamt 17)

Urheber
Sandström, Hilda
Rissanen, Matti
Rousu, Juho
Rinke, Patrick

DOI
10.1002/advs.202306235
URN
urn:nbn:de:101:1-2023121514205548202966
Rechteinformation
Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
Letzte Aktualisierung
15.08.2025, 07:36 MESZ

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Beteiligte

  • Sandström, Hilda
  • Rissanen, Matti
  • Rousu, Juho
  • Rinke, Patrick

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