Add ions and MS2 spectra for Mix 02 to database

EuracBiomedicalResearch / lcms-standards

Measurements of standard compounds in LC/MS setups and configurations at Eurac Research

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Closed jorainer closed 2 years ago

jorainer commented 2 years ago

Cross-check and finalize assignment of features and MS2 spectra to standards.
Solve (?) C4 carnitine discrepancy (from the MS2 data it looks like the standard could be butyrylcarnitine, not isobutyryl-L-carnitine).
Add ions and MS2 spectra to the ion database.