How to calculate the product ion mz provided with ion type?

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manto...@gmail.com

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Aug 21, 2019, 4:30:05 AM8/21/19
to Pyteomics
Hi~

If I have a peptide 'AAAM(UniMod:34)EK' in OpenMS format, how to calculate the b5_2 product ion mz?

Currently, I have to get the product ion seq 'AAAM(UniMod:34)E' and call the pyteomics.mass.calculate_mass function. Is there an convenient way to replace the fallible method?

Thanks.
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