LTQ Orbitrap XL混合线性离子阱质谱进行绿茶和红茶提取物的代谢组学分析

简介：

Purpose:To show a complete analytical metabolomic workflow including (1) data acquisition using a high resolution accurate mass instrument that is equipped with a Higher Energy Collisional Dissociation (HCD) cell and coupled to a high pressure LC , (2) metabolite differential abundance analysis, and (3) structural elucidation of relevant metabolites using accurate mass and HCD fragmentation information to highlight the component differences between green and black tea.

Methods: Green and black tea extracts were analyzed using an LTQ Orbitrap XL™ with an HCD cell. Chroma - tography was performed using an Accela High Speed LC equipped with a 2.1 mm ID Hypersil GOLD™ column packed with 1.9 μm particles. Data Dependent™ analysis was performed using an LTQ Orbitrap XL with full scan data acquired at a resolving power of 30,000 and MSn data acquired at a resolving power of 7500 following HCD fragmentation.

仪器：

LTQ Orbitrap XL mass spectrometer

 结论：

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 evaluation 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.