Dataset Information
PeakDecoder enables machine learning-based metabolite annotation and accurate profiling in multidimensional mass spectrometry measurements
Ontology highlight
ABSTRACT:
INSTRUMENT(S): Q Exactive Plus
ORGANISM(S): Rhodosporidium Toruloides Np11 (ncbitaxon:1130832)
SUBMITTER: 
Jon K Magnuson
PROVIDER: MSV000091202 | MassIVE | Fri Feb 03 18:22:00 GMT 2023
REPOSITORIES: MassIVE
Publications
PeakDecoder enables machine learning-based metabolite annotation and accurate profiling in multidimensional mass spectrometry measurements.
Nature communications 20230428 1
Multidimensional measurements using state-of-the-art separations and mass spectrometry provide advantages in untargeted metabolomics analyses for studying biological and environmental bio-chemical processes. However, the lack of rapid analytical methods and robust algorithms for these heterogeneous data has limited its application. Here, we develop and evaluate a sensitive and high-throughput analytical and computational workflow to enable accurate metabolite profiling. Our workflow combines liq ...[more]
