Hydroxy proline diagnostic ion error #2324
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trishorts
requested review from
Alexander-Sol,
YulingDai,
elaboy,
nbollis,
zhuoxinshi and
RayMSMS
acesnik
approved these changes
Dec 11, 2023
nbollis
approved these changes
Dec 12, 2023
…/trishorts/MetaMorpheus into hydroxyProlineDiagnosticIonError
Alexander-Sol
approved these changes
Dec 12, 2023
| @@ -114,7 +114,7 @@ TG P | |||
| PP Anywhere. | |||
| MT Common Biological | |||
| CF O1 | |||
| DI HCD:170.060123533 | |||
| DI HCD:170.07642 | |||
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In the comment, you said that the mass was updated to 176.0764. not 170.07642.
In the blog post, Ben Orsburn said that he pulled an XIC for 176.076, but then he shows a spectra where an ion at 171.0766 is highlighted.
Are the diagnostic ions recorded as masses and then converted to mz downstream? I'm a little confused as to what's going on.
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wrong mass in comment. also correct now. forgot to push yesterday before i left. these are mzs so no conversion.
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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/