Data‐Driven Compound Identification in Atmospheric Mass Spectrometry

to related objects

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.

Location
Deutsche Nationalbibliothek Frankfurt am Main
Extent
Online-Ressource
Language
Englisch

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

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

DOI
10.1002/advs.202306235
URN
urn:nbn:de:101:1-2023121514205548202966
Rights
Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
Last update
15.08.2025, 7:36 AM CEST

Data provider

This object is provided by:
Deutsche Nationalbibliothek. If you have any questions about the object, please contact the data provider.
Show original at data provider

Associated

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

Other Objects (12)

Data-driven fingerprint nanoelectromechanical mass spectrometry

Data-driven fingerprint nanoelectromechanical mass spectrometry

PDE-Based Dynamic Data-Driven Monitoring of Atmospheric Dispersion Processes

Hochschulschrift

PDE-Based Dynamic Data-Driven Monitoring of Atmospheric Dispersion Processes

A consensus compound/bioactivity dataset for data-driven drug design and chemogenomics

A consensus compound/bioactivity dataset for data-driven drug design and chemogenomics

Data-Driven Approaches to Exploratory Visual Analysis of Mass Spectrometry Imaging Data

Data-Driven Approaches to Exploratory Visual Analysis of Mass Spectrometry Imaging Data

Technical note: Towards atmospheric compound identification in chemical ionization mass spectrometry with machine learning

Technical note: Towards atmospheric compound identification in chemical ionization mass spectrometry with machine learning

Data-driven Ensemble Visualization

Data-driven Ensemble Visualization

Data-driven Disease Surveillance

Data-driven Disease Surveillance

Data-driven inventory optimization

Data-driven inventory optimization

Data-driven Structured Realization

Data-driven Structured Realization

Data-driven modeling of intermittent turbulence in the stably stratified atmospheric boundary layer

Data-driven modeling of intermittent turbulence in the stably stratified atmospheric boundary layer

Data-driven political campaigns in practice: understanding and regulating diverse data-driven campaigns

Artikel

Data-driven political campaigns in practice: understanding and regulating diverse data-driven campaigns

Data-driven mergers and personalization

Arbeitspapier

Data-driven mergers and personalization

Related objects