The analytical metabolomic workflow described here encompasses data acquisition, discovery of differentially abundant metabolites, and metabolite identification. The LTQ Orbitrap XL coupled to an Accela U-HPLC system afforded fast analysis times while maintaining high chromatographic resolution. Accurate mass measurements increased the confidence in elemental composition assign - ments and ultimately metabolite identification. SIEVE differential analysis software enabled large-scale evalua - tion of multiple complex LC-MS data and com parison of metabolite profiles between green and black tea samples. The spectral database and fragmentation algorithms of Mass Frontier software facilitated structural assignments of metabolites of interest utilizing MSn fragmentation spectra. 賽默飛LTQ Orbitrap XL組合式質(zhì)譜儀