{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"submitter":["Bouwman J"],"funding":["NWO Exacte Wetenschappen","European-Union MSCA-ITN network “EUROPAH”","Dutch Research Council (NWO)"],"pubmed_abstract":["A structural characterization of the products formed in the dissociative electron ionization of adamantane (C10 H16 ) is presented. Molecular structures of product ions are suggested based on multiple-photon dissociation spectroscopy using the Free Electron Laser for Infrared eXperiments (FELIX) in combination with quantum-chemical calculations. Product ions are individually isolated in an ion trap tandem mass spectrometer and their action IR spectra are recorded. Atomic hydrogen loss from adamantane yields the 1-adamantyl isomer. The IR spectrum of the C8 H11+ product ion is best reproduced by computed spectra of 2- and 4-protonated meta-xylene and ortho- and para-protonated ethylbenzenes. The spectrum of the product ion at m/z 93 suggests that it is composed of a mixture of ortho-protona"],"journal":["Chemphyschem : a European journal of chemical physics and physical chemistry"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC6392131"],"repository":["biostudies-literature"],"pubmed_title":["Spectroscopic Characterization of the Product Ions Formed by Electron Ionization of Adamantane."],"pmcid":["PMC6392131"],"funding_grant_id":["Physical Sciences","#16327 & 16638","724.011.002","16327","722.013.014","#722346","723.016.006"],"pubmed_authors":["Oomens J","Horst S","Bouwman J"],"additional_accession":[]},"is_claimable":false,"name":"Spectroscopic Characterization of the Product Ions Formed by Electron Ionization of Adamantane.","description":"A structural characterization of the products formed in the dissociative electron ionization of adamantane (C10 H16 ) is presented. Molecular structures of product ions are suggested based on multiple-photon dissociation spectroscopy using the Free Electron Laser for Infrared eXperiments (FELIX) in combination with quantum-chemical calculations. Product ions are individually isolated in an ion trap tandem mass spectrometer and their action IR spectra are recorded. Atomic hydrogen loss from adamantane yields the 1-adamantyl isomer. The IR spectrum of the C8 H11+ product ion is best reproduced by computed spectra of 2- and 4-protonated meta-xylene and ortho- and para-protonated ethylbenzenes. The spectrum of the product ion at m/z 93 suggests that it is composed of a mixture of ortho-protona","dates":{"release":"2018-01-01T00:00:00Z","publication":"2018 Oct","modification":"2025-04-25T17:29:00.51Z","creation":"2019-08-03T07:20:53Z"},"accession":"S-EPMC6392131","cross_references":{"pubmed":["30307689"],"doi":["10.1002/cphc.201800846"]}}