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• W2950532024 endingPage "108" @default.
• W2950532024 startingPage "101" @default.
• W2950532024 abstract "We present a cryogenic infrared spectroscopy study of protonated 3,4-methylenedioxymethampetamine (MDMA) and some of its metabolites. The IR spectra are sufficiently well resolved to give distinct vibrational signatures for each molecule, as well as indicate common functional groups in some of the variants. A more detailed analysis reveals that the spectral interpretation is more complex. The overly rich IR spectra already betray the existence of a number of conformers, which are assigned by comparison to quantum-chemical calculations. An attempt to quantify the various conformers for MDMA was not successful, strongly suggesting that the conformers can freely interconvert at these cryogenic temperatures." @default.
• W2950532024 created "2019-06-27" @default.
• W2950532024 creator A5027109094 @default.
• W2950532024 creator A5036817140 @default.
• W2950532024 creator A5047067079 @default.
• W2950532024 date "2019-09-01" @default.
• W2950532024 modified "2023-09-25" @default.
• W2950532024 title "Cryogenic infrared ion spectroscopy for the structural elucidation of drug molecules: MDMA and its metabolites" @default.
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• W2950532024 doi "https://doi.org/10.1016/j.ijms.2019.06.001" @default.
• W2950532024 hasPublicationYear "2019" @default.
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