Raw data from THSTI IROA standards were processed using IDSL.CSA package to create reference MSP file ftp://massive.ucsd.edu/MSV000088661/ ( IROA metabolite standards )
The complete GNPS spectral library (GNPS, GNPS-PROPAGATED, and IMPORT entries) was processed and cleaned using matchms. Of the 5'416'135 initial spectra, 3'560'365 were removed, yielding a dataset of
BackgroundThere has been much interest in differentiating diseased and normal samples using biomarkers derived from mass spectrometry (MS) studies. However, biomarker identification for specific disea
