TY - JOUR
T1 - GLOVOCs - Master compound assignment guide for proton transfer reaction mass spectrometry users
AU - Yáñez Serrano, Ana María
AU - Filella, Iolanda
AU - Llusià Benet, Joan
AU - Gargallo-Garriga, Albert
AU - Granda, Víctor
AU - Bourtsoukidis, Efstratios
AU - Williams, Jonathan
AU - Seco, Roger
AU - Cappellin, L.
AU - Werner, C.
AU - De Gouw, J.
AU - Peñuelas, Josep
PY - 2021
Y1 - 2021
N2 - 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.
AB - 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.
KW - VOC
KW - PTR-MSPTR-TOF-MS
KW - Quadrupole
KW - Time of flight
KW - Compound assignment
U2 - 10.1016/j.atmosenv.2020.117929
DO - 10.1016/j.atmosenv.2020.117929
M3 - Article
SN - 1352-2310
VL - 244
JO - Atmospheric Environment
JF - Atmospheric Environment
ER -