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.