smith-chem-wisc / MetaMorpheus

Proteomics search software with integrated calibration, PTM discovery, bottom-up, top-down and LFQ capabilities
MIT License
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Hydroxy proline diagnostic ion error #2324

Closed trishorts closed 11 months ago

trishorts commented 11 months ago

Ben Orsburn in his proteomics news blogpost highlighted an error in the reported mass for the diagnostic ion of hydroxyproline. Turns out we had the erroneous mass in our mods list. This PR updates the mass of the diagnostic ion to the correct value of 171.0764 which comes from C7 H11 N2 O3+ as reported by Dr. Frey.

https://proteomicsnews.blogspot.com/2023/12/hypothesis-shot-down-by-one-of-greatest.html

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6126394/