Freund, Dana MMartin, Amanda CCohen, Jerry CHegeman, Adrian D2017-03-312017-03-312017-03-31https://hdl.handle.net/11299/185430The Mass Spectrometry data are saved as mzML files, an XML (eXtensible Markup Language) based common file format. The data can be viewed in MZmine2 (http://mzmine.github.io). MZmine2 is an open-source software for mass-spectrometry data processing, with the main focus on LC-MS data. The original MS data were produced by Xcalibur™ software version 2.1 (Thermo Scientific) and saved in RAW files. The RAW files were later converted to mzML files.Four different populations of Glycyrrhiza lepidota with nearly identical chemotypes were analyzed with each Mass Spectrometry (MS) method: Leaf Spray, Leaf Dip Extraction, and Bulk Extraction.CC0 1.0 Universal Public Domain Dedicationhttp://creativecommons.org/publicdomain/zero/1.0/Leaf spraymass spectrometryGlycyrrhiza lepidotametabolite profileDatasethttps://doi.org/10.13020/D62595