Molecular Formula Analysis by an MS_MS_MS Technique To Expedite Dereplication of Natural Products.pdfVIP

Anal. Chem. 2007, 79, Molecular Formula Analysis by an MS/MS/MS Technique To Expedite Dereplication of Natural Products Yasuo Konishi,*,† Taira Kiyota,†,‡ Cristina Draghici,† Jin-Ming Gao,†,§ Faustinus Yeboah,†, Stephane Acoca,†,⊥ Suwatchai Jarussophon,†,# and Enrico Purisima† Biotechnology Research Institute, National Research Council Canada, 6100 Royalmount Avenue, Montre´al, Que´bec, Canada H4P 2R2, Natural Products Resource Research Centre, College of Sciences, Northwest A F University, ´bec, Canada Yangling, Shaanxi 712100, PR China, Ecopia BioSciences Inc., 7290, Frederick-Banting, Saint-Laurent, Que H4S 2A1, Department of Biochemistry, McIntyre Medical Sciences Building, McGill University, 3655 Promenade Sir William Osler, Montre ´al, Que´bec, Canada H3G 1Y6, and National Nanotechnology Center, National Science and Technology Development Agency, 130 Thailand Science Park, Paholyothin Road, Klong Luang, Pathumthani 12120 Bangkok, Thailand A facile and sensitive mass spectrometric method has paclitaxel (C47H51NO14; 853 amu) to identify its molecular been developed for the dereplication of natural products. formula and its substructures, and to characterize its The method provides information about the molecular potential fragmentation pathways. The method was further formula and substructure of a precursor molecule and its validated by correctly identifying the molecular formula fragments, which are invaluable aids in dereplication of of minocycline (C H N O ; 457 amu) and piperacillin 23 27 3 7 natural products at their early stages of purification