GLOVOCs - Master compound assignment guide for proton transfer reaction mass spectrometry users
Yáñez Serrano, Ana María (Centre de Recerca Ecològica i d'Aplicacions Forestals)
Filella, Iolanda (Centre de Recerca Ecològica i d'Aplicacions Forestals)
Llusià Benet, Joan (Centre de Recerca Ecològica i d'Aplicacions Forestals)
Gargallo-Garriga, Albert (Centre de Recerca Ecològica i d'Aplicacions Forestals)
Granda, Víctor (Centre de Recerca Ecològica i d'Aplicacions Forestals)
Bourtsoukidis, Efstratios (Max Planck Institute for Chemistry. Department of Atmospheric Chemistry)
Williams, Jonathan (Max Planck Institute for Chemistry. Department of Atmospheric Chemistry)
Seco, Roger (University of Copenhagen. Department of Biology)
Cappellin, L. (Dipartimento di Scienze Chimiche, Università degli Studi di Padova)
Werner, C. (University of Freiburg. Ecosystem Physiology)
De Gouw, J. (University of Colorado. Department of Chemistry)
Peñuelas, Josep (Centre de Recerca Ecològica i d'Aplicacions Forestals)

Fecha:	2021
Resumen:	The richness of measurements obtained by Proton-Transfer Reactions Mass Spectrometry (PTR-MS) has opened a new paradigm for the quantification of volatile organic compounds (VOCs). A wide range of compounds can be monitored, however, each detected signal is subject to a compound assignment instead of actual identification because PTR techniques are mass-selective and isomers cannot be separately measured. Thus, rapid development in the field requests continued community efforts to identify compounds. In this study we have reviewed the available literature and created a master compound assignment guide called GLOVOCS that can be referred to by PTR-MS practitioners. GLOVOCS is aimed to help in advancing science of VOCs by facilitating the research of multiple groups using PTR-MS to monitor VOCs and to disentangle the physical, chemical and biological mechanisms underlying their production, emission and impact on environment and organisms from bacteria to humans. The guide is freely accessible at http://glovocs. creaf. cat as a collaborative tool, where users can both consult and contribute to the identification of VOCs by providing possible candidates for all chemical formulas from 18 to 330 atomic mass units. When available, we indicate if there is evidence for biogenic or anthropogenic VOC origin, as well as grouping the compounds based on the Classyfire chemotaxonomic classification (Djoumbou Feunang et al. , 2016). While GLOVOCS aims to facilitate the first assessment and consistent classification of compounds, we highly recommend further cross-validation for verifying compounds when using PTR-MS techniques.
Ayudas:	European Commission 610028 Ministerio de Ciencia e Innovación PID 2019-110521GB-I00 Agència de Gestió d'Ajuts Universitaris i de Recerca 2017/SGR-1005
Nota:	Altres ajuts: AMYS acknowledges the Spanish Ministry of Education and Science for her Juan de la Cierva-Incorporación grant. CW acknowledges the ERC consolidator grant VOCO2 (647008)
Derechos:	Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, i la comunicació pública de l'obra, sempre que no sigui amb finalitats comercials, i sempre que es reconegui l'autoria de l'obra original. No es permet la creació d'obres derivades.
Lengua:	Anglès
Documento:	Article ; recerca ; Versió acceptada per publicar
Materia:	VOC ; PTR-MSPTR-TOF-MS ; Quadrupole ; Time of flight ; Compound assignment
Publicado en:	Atmospheric Environment, Vol. 244 (Jan. 2021) , art. 117929, ISSN 1873-2844

DOI: 10.1016/j.atmosenv.2020.117929

Postprint 8 p, 704.4 KB

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