GNPS - Ecoli_strains_extracellular_metabolome_B2phylogroup_validation_Study3

Data from a comparative metabolomics study of extracellular metabolomes of 6 E coli strains of which 5 belong to phylogroup B2 (UPEC 536, CFT073, Nissle 1917, NCTC12241, ABU83972) completed with MG1655 as standard laboratory reference strain. pHILIC-MS full scan data of all supernatant extracts (five replicates - 1:3:1 H20-methanol-chloroform extractions) was obtained in alternating ionization mode: MzXML files with positive ionization mode spectra and negative ionization mode spectra are provided. Controls (blanks, solvent and medium controls, and pooled samples run across the batch, are included as well). pHILIC-MS/MS data of pooled supernatant replicates for each strain was obtained for metabolite annotation purposes. The resulting LC-MS/MS MzXML files in positive ionization mode and negative ionization mode are provided.