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.本数据集利用MestreNova 12.0软件内置的简单混合物分析（Simple Mixture Analysis，SMA）工具，基于核磁共振波谱（NMR spectra）数据，构建了覆盖两类咖啡豆（生咖啡豆与烘焙咖啡豆）及三种萃取方式（水醇萃取、意式浓缩萃取、摩卡壶萃取）的代谢物库（Metabolite libraries）。