SMA library for metabolites identification and quantification in cheese whey permeate (CWP)

Metabolite library built from NMR spectra for metabolomic analysis of cheese whey permeate (CWP) using the Simple Mixture Analysis (SMA) tool implemented in MestreNova 14.3 software. Metabolites included: 2,3-Butandiol, Acetate, Alanine, Betaine, Choline, Citrate, Creatine, Creatinine, Ethanol, Fumarate, Hippurate, Lactate, Lactose, Orotate, Succinate, α-D-Galactose, β-D-Galactose Sample CWP in PB 10 mM (10% D2O) pH 7.4, TSP (1mM), Diluition Factor (10%) File included: SMA library .exp files and optimized .cmp files