Observed arrival · 2026-11-07
PeptMass: a peptide MS/MS analysis tool for doping-control work
PeptMass is described as free, offline software for calculating peptide masses, predicting fragment ions, and annotating experimental LC-HRMS/MS spectra.
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- For
- Anti-doping laboratories and analysts identifying modified peptide compounds in LC-HRMS/MS data
- Worth noticing
- Its sequence syntax represents non-natural residues in brackets, modifications in parentheses, and separate chains with slashes.
Field notes
The sequence notation distinguishes ordinary residues, bracketed non-natural residues, parenthesized modifications, and slash-separated chains. Experimental inputs listed are mzML, mzXML, and Thermo .raw; the page says raw-file conversion uses ThermoRawFileParser. It describes the Windows build as still in final testing, with source code and a Docker image planned alongside the publication.
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●ProPolished or operationally mature
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