title: Position-Specific Mass Shift Analysis: A Systematic Method for Investigating the EI-MS Fragmentation Mechanism of epi-Isozizaene.
abstract: The EI-MS fragmentation mechanism of the bacterial sesquiterpene epi-isozizaene was investigated through enzymatic conversion of all 15 synthetic ((13) C1 )FPP isotopomers with the epi-isozizaene synthase from Streptomyces albus and GC-MS and GC-QTOF analysis including MS-MS. A systematic method, which we wish to call position-specific mass shift analysis, for the identification of the full set of fragmentation reactions was developed.
authors.affiliation: Kekulé-Institut für Organische Chemie und Biochemie, Rheinische Friedrich-Wilhelms-Universität Bonn, Gerhard-Domagk-Strasse 1, 53121, Bonn, Germany.
authors.forename: Patrick
authors.initials: P
authors.lastname: Rabe
authors.affiliation: Kekulé-Institut für Organische Chemie und Biochemie, Rheinische Friedrich-Wilhelms-Universität Bonn, Gerhard-Domagk-Strasse 1, 53121, Bonn, Germany.
authors.forename: Tim A
authors.initials: TA
authors.lastname: Klapschinski
authors.affiliation: Kekulé-Institut für Organische Chemie und Biochemie, Rheinische Friedrich-Wilhelms-Universität Bonn, Gerhard-Domagk-Strasse 1, 53121, Bonn, Germany. dickschat@uni-bonn.de.
authors.forename: Jeroen S
authors.initials: JS
authors.lastname: Dickschat
mesh_terms: D012717:Sesquiterpenes / Q000737:chemistry*; D013302:Streptomyces / Q000201:enzymology; D053719:Tandem Mass Spectrometry / Q000379:methods*
chemical_list: D012717:Sesquiterpenes; C541862:epi-isozizaene
keywords: fragmentation mechanisms; isotopic labeling; isozizaene; mass spectrometry; terpenoids