Comparative Metabolomic Profiling of Soil-Based and Hydroponic Lettuce Varieties Using Paper Spray Ionization Mass Spectrometry and Chemometric Approaches.

The data reported here consist of mass spectra in CDF format used in the study entitled “Comparative Metabolomic Profiling of Soil-Based and Hydroponic Lettuce Varieties Using Paper Spray Ionization Mass Spectrometry and Chemometric Approaches.” Mass spectra were acquired in both positive (POS) and negative (NEG) ionization modes. Two ionization sources were employed: electrospray ionization (ESI) and paper spray ionization (PSI). The study evaluated three lettuce varieties (Lactuca sativa L.): iceberg lettuce (ICE), loose-leaf lettuce (LOO), and oak-leaf lettuce (OAK). The plants were cultivated under two different growth conditions: soil (S) and hydroponics (H). Based on these data, chemometric models were developed using Parallel Factor Analysis (PARAFAC) and Partial Least Squares Discriminant Analysis (PLS-DA) to identify metabolites that differentiate lettuce samples according to variety and cultivation method.本数据集包含采用CDF格式存储的质谱数据，相关内容用于题为《采用纸喷雾电离质谱与化学计量学方法对比分析土培与水培生菜品种的代谢组特征》的研究。质谱数据采集于正离子（POS）与负离子（NEG）两种电离模式。本研究采用两种电离源：电喷雾电离（ESI）与纸喷雾电离（PSI）。研究共评估了三个生菜品种（Lactuca sativa L.）：结球生菜（ICE）、散叶生菜（LOO）与橡叶生菜（OAK）。供试植株分别在土培（S）与水培（H）两种栽培条件下培育。基于上述数据，本研究通过平行因子分析（PARAFAC）与偏最小二乘判别分析（PLS-DA）构建化学计量学模型，以筛选出能够依据生菜品种与栽培方式对样本进行区分的代谢物。