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A pipeline to annotate chromatography peaks from the 'IDSL.IPA' workflow doi:10.1021/acs.jproteome.2c00120 with molecular formulas of a prioritized chemical space using an isotopic profile matching approach. The 'IDSL.UFA' workflow only requires mass spectrometry level 1 (MS1) data for formula annotation. The 'IDSL.UFA' methods was described in doi:10.1021/acs.analchem.2c00563 .
| Citation | IDSL.UFA citation info |
| github.com/idslme/idsl.ufa | |
| Bug report | File report |
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