Description:Several datasets derived from a common sample set. Samples are derived from NIST 1950 plasma, Cambrige Isotope Labs yeast extract (12C and 13C) a complex mixture of 96 pure authentic standards, and isotopically labelled internal standards. Data were acquired using GC-MS, reverse phase and HILIC LC-MS, on Orbitrap and Waters Q-ToF instruments in both positive and negative ionization mode.