Methods for Structural Characterisation of Quillaja Saponins by Electrospray Ionisation Ion Trap Multiple-Stage Mass Spectrometry

摘要: This thesis describes methods for structural classification of Quillaja saponins based on high performance liquid chromatography hyphenated electrospray ionisation ion trap multiple-stage mass spectrometry, in combination with multivariate analysis. from the chromatographic fractions QH-A, QH-B, and QH-C as well crude bark extract have been investigated. MS1-MS3 spectra positive mode were analysed by such PCA PLS-DA. Fragmentation generally results loss fragments precursor ion. The essential part reported method is referencing spectral data that allows comparison features between saponin components multiple stage spectra. Peaks referenced obtain a correlation to common elements. captured variance corresponding Thus, obtained models ability predict new structures share In total 12 proposed ESI-IT-MSn measurements. these investigations was helpful since generated predictions solved either full structure or parts it. compliance HPLC on-line coupled MSn thus provides rapid screening biologic fractions. Further, suitable metabolic fingerprinting reported.