SMA libraries for metabolite identification and quantification in coffee extracts

Metabolite libraries built from NMR spectra for two types of coffee (green or roasted) and for three extraction procedures (hydroalcoholic, espresso, moka), using the Simple Mixture Analysis (SMA) tool implemented in MestreNova 12.0 software.

本数据集为基于核磁共振波谱（NMR）构建的代谢物库，涵盖两类咖啡豆（生豆与烘焙豆）与三种萃取方式（水醇萃取、意式浓缩萃取、摩卡壶萃取），构建过程使用了MestreNova 12.0软件中搭载的简单混合物分析（Simple Mixture Analysis，SMA）工具。