IDSL.CSA: Composite Spectra Analysis for Chemical Annotation of Untargeted Metabolomics Datasets
Sadjad Fakouri Baygi, Yashwant Kumar, Dinesh Kumar Barupal
IDSL.CSA generates composite mass spectra libraries from MS1-only data to annotate untargeted metabolomics datasets without MS2 fragmentation spectra, achieving comparable results to MS/MS libraries in human blood samples.
Analytical Chemistry · Jun 13, 2023Peer-reviewedBioinformatics