title: Vacuum ultraviolet photofragmentation of sarcosine: photoionization mass spectrometric and theoretical insights.
abstract: Vacuum ultraviolet (VUV) photon-induced ionization and fragmentation of N-methyl glycine (sarcosine) were investigated with infrared laser desorption/tunable synchrotron VUV photoionization mass spectrometry (IR LD/VUV PIMS) and theoretical calculations. Fragment-controllable mass spectra of sarcosine were measured at various photon energies. By tuning the photon energy, the fragments at m/z 44, 45, 43, 42, 30, and 60 were gradually detected. The ionization energy of the precursor was obtained by measuring the photoionization efficiency spectrum. Possible formation pathways of the fragment ions at m/z 44 (CH(3)NHCH(2)(+)), 45 (CH(3)NH(2)CH(2)(+)), 43 (CH(2)NHCH(2)(+)), 42 (CH(2)NCH(2)(+)), 30 (CH(2)NH(2)(+)), and 60 (CH(2)COOH(2)(+)) were discussed in detail with the help of calculations at the G3B3 and B3LYP/6-31++G(d,p) levels.
authors.affiliation: National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, Anhui 230029, People's Republic of China.
authors.forename: Huijun
authors.initials: H
authors.lastname: Guo
authors.forename: Lidong
authors.initials: L
authors.lastname: Zhang
authors.forename: Liulin
authors.initials: L
authors.lastname: Deng
authors.forename: Liangyuan
authors.initials: L
authors.lastname: Jia
authors.forename: Yang
authors.initials: Y
authors.lastname: Pan
authors.forename: Fei
authors.initials: F
authors.lastname: Qi
mesh_terms: D007259:Infrared Rays; D013058:Mass Spectrometry; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D055668:Photochemical Processes; D012521:Sarcosine / Q000737:chemistry*; D013057:Spectrum Analysis; D013816:Thermodynamics; D014466:Ultraviolet Rays
chemical_list: D012521:Sarcosine