Run the pipeline
Step through isotope mapping, adduct expansion, first-round annotation and the Gibbs sampler, checking the output at each stage.
LC-MS metabolomics · annotation
IPA Studio
Annotate untargeted LC-MS data in the browser. IPA Studio runs the Integrated Probabilistic Annotation pipeline on an XCMS/CAMERA feature set and lets you inspect the evidence behind every putative identification.
What you can do
Inspect every feature
Extracted ion chromatograms by sample group, pcgroup pseudospectra and candidate structures side by side.
Compare MS/MS spectra
Check measured fragmentation against reference spectra, and see which features may be in-source fragments.
Follow the evidence
See the adduct and fragment network that links features and shapes each posterior probability.
About this demo
- Sample data and an HMDB lipid database are already loaded, so you can start exploring straight away.
- Your session is kept for you while you use it. If you come back later, it may have been reset for another visitor.
- Nothing you do here is saved permanently.