Detection and Exclusion of False-Positive Molecular Formula Assignments via Mass Error Distributions in UHR Mass Spectra of Natural Organic Matter
Sign Up to like & getrecommendations! Published in 2024 at "Analytical Chemistry"
DOI: 10.1021/acs.analchem.4c00489
Abstract: Ultrahigh resolution mass spectrometry (UHRMS) routinely detects and identifies thousands of mass peaks in complex mixtures, such as natural organic matter (NOM) and petroleum. The assignment of several chemically plausible molecular formulas (MFs) for a… read more here.
Keywords: mass error; natural organic; mass; error distributions ... See more keywords
ppmFixer: a mass error adjustment for pGlyco3.0 to correct near-isobaric mismatches.
Sign Up to like & getrecommendations! Published in 2024 at "Glycobiology"
DOI: 10.1093/glycob/cwae006
Abstract: Modern glycoproteomics experiments require the use of search engines due to the generation of countless spectra. While these tools are valuable, manual validation of search engine results is often required for detailed analysis of glycopeptides… read more here.
Keywords: search; near isobaric; mass error; pglyco3 ... See more keywords