Mass Spectral Filtering by Mass-Remainder Analysis (MARA) at High Resolution and Its Application to Metabolite Profiling of Flavonoids

Flavonoids represent an important class of secondary metabolites because their potential health benefits and functions in plants. We propose a novel method for the comprehensive flavonoid filtering screening based on direct infusion mass spectrometry (DIMS) analysis. The recently invented data mining procedure, multi-step mass-remainder analysis (M-MARA) technique is applied effective spectral peak rich spectra natural herb extracts. In addition, our flavonoid-filtering algorithm facilitates determination elemental composition. M-MARA uses simple mathematical logical operations thus, it can easily be implemented regular spreadsheet software. A huge benefit high speed low demand computing power memory that enables real time application even tandem spectrometric Our was electrospray ionization (ESI) DIMS various extract, filtered were subjected to chemometrics using principal component (PCA).