气候变化领域集成服务门户(CCPortal): GLOVOCS - Master compound assignment guide for proton transfer reaction mass spectrometry users

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DOI	10.1016/j.atmosenv.2020.117929
	GLOVOCS - Master compound assignment guide for proton transfer reaction mass spectrometry users
	Yáñez-Serrano A.M.; Filella I.; LLusià J.; Gargallo-Garriga A.; Granda V.; Bourtsoukidis E.; Williams J.; Seco R.; Cappellin L.; Werner C.; de Gouw J.; Peñuelas J.
发表日期	2021
ISSN	1352-2310
卷号	244
英文摘要	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. © 2020 Elsevier Ltd
关键词	Compound assignment PTR-MS PTR-TOF-MS Quadrupole Time of flight VOC
语种	英语
scopus关键词	Isomers; Mass spectrometry; Volatile organic compounds; Atomic mass; Chemical and biologicals; Chemical formulae; Collaborative tools; Cross validation; Multiple-group; Proton transfer reactions; Proton-transfer reaction mass spectrometries; Proton transfer; volatile organic compound; biochemical composition; chemotaxonomy; classification; electron; mass spectrometry; molecular analysis; quantitative analysis; signal processing; volatile organic compound; Article; chemical structure; chemotaxonomy; cross validation; mass fragmentography; priority journal; proton transfer reaction mass spectrometry; quadrupole mass spectrometry; time of flight mass spectrometry
来源期刊	ATMOSPHERIC ENVIRONMENT
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/248837
作者单位	CREAF, E08193 Bellaterra (Cerdanyola del Vallès), Catalonia, Spain; CSIC, Global Ecology Unit, CREAF-CSIC-UAB, E08193 Bellaterra (Cerdanyola del Vallès), Catalonia, Spain; Global Change Research Institute, The Czech Academy of Sciences, Belidla 986/4a, Brno, CZ-60300, Czech Republic; Atmospheric Chemistry Department, Max Planck Institute for Chemistry, P. O. Box 3060, Mainz, 55128, Germany; Terrestrial Ecology Section, Department of Biology, University of Copenhagen, Copenhagen, Denmark; Center for Permafrost, Department of Geosciences and Natural Resource Management, University of Copenhagen, Copenhagen, Denmark; Dipartimento di Scienze Chimiche, Università degli Studi di Padova, Padova, Italy and Research and Innovation Centre, Fondazione Edmund Mach, S. Michele a/A 38010, Italy; Ecosystem Physiology, University of Freiburg, Freiburg, 79098, Germany; Cooperative Institute for Research in Environmental Sciences & Department of Chemistry, University of Colorado, 216 UCB, CIRES, Boulder, CO 80309, United ...
推荐引用方式 GB/T 7714	Yáñez-Serrano A.M.,Filella I.,LLusià J.,et al. GLOVOCS - Master compound assignment guide for proton transfer reaction mass spectrometry users[J],2021,244.
APA	Yáñez-Serrano A.M..,Filella I..,LLusià J..,Gargallo-Garriga A..,Granda V..,...&Peñuelas J..(2021).GLOVOCS - Master compound assignment guide for proton transfer reaction mass spectrometry users.ATMOSPHERIC ENVIRONMENT,244.
MLA	Yáñez-Serrano A.M.,et al."GLOVOCS - Master compound assignment guide for proton transfer reaction mass spectrometry users".ATMOSPHERIC ENVIRONMENT 244(2021).