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
Lipid Data Analyzer (LDA; http://genome.tugraz.at/lda2) provides automated and reliable annotation of lipid species and their molecular structures in high-throughput data from chromatography-coupled t
