Unusual Mass Spectrometric Dissociation Pathway of Protonated Isoquinoline-3-Carboxamides Due to Multiple Reversible Water Adduct Formation in the Gas Phase - Beuck, Simon; Schwabe, Tobias; Grimme, Stefan; Schlörer, Nils; Kamber, Matthias; Schänzer, Wilhelm; Thevis, Mario (Journal of the American Society for Mass Spectrometry, 2009)
Keywords: Adducts; Analytical Chemistry; Bioinformatics; Biotechnology; Carbon monoxide; Carbonyls; Chemical synthesis; Chemistry; Chemistry and Materials Science; Chromatography, Liquid - methods; Disorders; Doping in Sports - prevention & control; Drugs; Exact sciences and technology; Forensic engineering; Fragmentation; Gases - chemistry; Glycine; Humans; Ions; Isoquinolines - analysis; Isoquinolines - chemistry; Mass spectrometry; Mass Spectrometry - methods; Mathematical models; Metabolites; Molecular Structure; Organic Chemistry; Pharmaceutical Preparations - chemistry; Phase Transition; Propylene; Proteomics; Protons; Reactivity and mechanisms; Spectrometry, Mass, Electrospray Ionization - methods; Substance Abuse Detection - methods; Tandem Mass Spectrometry - methods; Water - chemistry; Nuclear Magnetic Resonance; Sport Drug Testing; Prolyl Hydroxylase Domain; Dissociation Pathway; QTrap Mass Spectrometer; Tandem mass spectrometry; Collisional activation; Isoquinoline derivatives; Protonated form; Theoretical study; Density functional method; Carboxamide; Fragmentation pattern; Gas phase; Mass spectrometry; Electrospray