biostudies-literatureUnknownBouwman JNWO Exacte WetenschappenEuropean-Union MSCA-ITN network “EUROPAH”Dutch Research Council (NWO)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-protonaChemphyschem : a European journal of chemical physics and physical chemistryhttps://www.ebi.ac.uk/biostudies/studies/S-EPMC6392131biostudies-literatureSpectroscopic Characterization of the Product Ions Formed by Electron Ionization of Adamantane.PMC6392131Physical Sciences#16327 & 16638724.011.00216327722.013.014#722346723.016.006Oomens JHorst SBouwman JfalseSpectroscopic Characterization of the Product Ions Formed by Electron Ionization of Adamantane.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-protona2018-01-01T00:00:00Z2018 Oct2025-04-25T17:29:00.51Z2019-08-03T07:20:53ZS-EPMC63921313030768910.1002/cphc.201800846