MeRgeION: a Multifunctional R Pipeline for Small Molecule LC-MS/MS Data Processing, Searching, and Organizing.
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DOI: 10.1021/acs.analchem.2c04343
Abstract: Small molecule structure elucidation using tandem mass spectrometry (MS/MS) plays a crucial role in life science, bioanalytical, and pharmaceutical research. There is a pressing need for increased throughput of compound identification and transformation of historical… read more here.
Keywords: mergeion; small molecule; mergeion multifunctional; molecular networking ... See more keywords