mzXMLs from NIH Natural Product Library. Included are methods for dilution and LC-MS/MS acquisition, plate maps, excel file of compounds added to gnps and structures generated from SMILES.
These are raw data for MassFuser developments on Q-Exactive. Two datasets are NIH and NIST. At four different concentrations, and with different LC-MS methods
mzXMLs from NIH Pretwick Phytochemical Library. Included are methods for dilution and LC-MS/MS acquisition, plate maps, excel file of compounds added to gnps and structures generated from SMILES (exc
mzXMLs from NIH Pharmacologically Active Library. Included are methods for dilution and LC-MS/MS acquisition, plate maps, excel file of compounds added to gnps and structures generated from SMILES.
