The wheat species profiling by non-targeted UPLC–ESI–TOF-MS analysis

To investigate differences in the metabolome between ancient and modern Triticum varieties, a total of 15 varieties each of bread and durum wheat, spelt, emmer, and einkorn were cultivated and harvested at four different locations (Seligenstadt, Hohenheim, Eckartsweier, and Oberer Lindenhof), and their acetonitrile extracts were analyzed by means of UPLC–TOF MS e . Nine marker metabolites were clearly identified using reference or surrogate standard compounds including di- and triacylglycerides as well as galactolipids and enabling the discrimination of wheat species and their growing location.