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 )
In metabolomics studies using high-resolution mass spectrometry (MS), a set of product ion spectra is comprehensively acquired from observed ions using the data-dependent acquisition (DDA) mode of var
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
