title: VUV photon-induced ionization/dissociation of antipyrine and propyphenazone: mass spectrometric and theoretical insights.
abstract: Two analgesic and anti-inflammatory drugs, antipyrine and propyphenazone, were investigated with infrared laser desorption/tunable synchrotron vacuum ultraviolet (VUV) photoionization mass spectrometry (IR LD/VUV PIMS) and theoretical calculations. Mass spectra of the two drugs were measured at various photon energies. Fragment ions were gradually produced as photon energy increases. The structural assignment of the dominant fragment ions was supported by the results from a commercial electron impact time-of-flight mass spectrometer (EI-TOF MS). Primary fragmentation pathways were established from experimental observations combining with theoretical calculations. Methyl radical elimination is a common fragmentation pathway for two analytes. However, for propyphenazone cation, isopropyl group elimination to form antipyrine cation is another competitive pathway.
authors.affiliation: National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui 230029, PR China.
authors.forename: Liulin
authors.initials: L
authors.lastname: Deng
authors.forename: Lidong
authors.initials: L
authors.lastname: Zhang
authors.forename: Huijun
authors.initials: H
authors.lastname: Guo
authors.forename: Liangyuan
authors.initials: L
authors.lastname: Jia
authors.forename: Yang
authors.initials: Y
authors.lastname: Pan
authors.forename: Hao
authors.initials: H
authors.lastname: Yin
authors.forename: Fei
authors.initials: F
authors.lastname: Qi
mesh_terms: D000894:Anti-Inflammatory Agents, Non-Steroidal / Q000737:chemistry*; D000983:Antipyrine / Q000031:analogs & derivatives* / Q000737:chemistry*; D007477:Ions / Q000737:chemistry; D013058:Mass Spectrometry / Q000379:methods*; D008958:Models, Molecular; D017785:Photons
chemical_list: D000894:Anti-Inflammatory Agents, Non-Steroidal; D007477:Ions; C009077:propyphenazone; D000983:Antipyrine