Specifications table

Subject area	Biochemistry
More specific subject area	Metabolomics, Natural Products Research, Spectrometry
Type of data	Tables and Figures
How data was acquired	Data was acquired using liquid chromatography mass spectrometry (LCMS) through a Dionex UltiMate 3000 ultra-high-performance liquid chromatography (UHPLC) (Thermo Scientific, Darmstadt, Germany) coupled to a Compact™ QTOF (Bruker Daltonics, Bremen, Germany)
Data format	Raw and Analyzed data
Experimental factors	Dried leaves from healthy D. stramonium were extracted with a 1:1 solvent mixture of dichloromethane and methanol (v/v), and concentrated at 65 °C.
Experimental features	Untargeted metabolite profiling for D. stramonium leaves was performed
Data source location	D. stramonium was collected in Midrand, Johannesburg, South Africa (25°55′48.9″S 28°06′08.9″E); solvent extraction from the leaves was done at the University of Johannesburg, South Africa (26°11′40.2″S 28°03′27.5″E); LC-QTOF-MS/MS analysis and data processing was done at the University of the Witwatersrand (26°11′27″S 28°1′49″E).
Data accessibility	Data is within this article. The compounds identified using LC-QTOF-MS/MS (ESI+) analysis are available with this article inSupplementary Table 1and the comprehensive list of detected analytes is available inSupplementary Table 2.
Related research article	J. Y. Won, S.Y. Son, S. Lee, D. Singh, S. Lee, J. Seok Lee Strategy for screening of antioxidant compounds from two ulmaceae species based on liquid chromatography-mass spectrometry Molecules, 23 (2018), pp. 1–15[1]