AdductHunter
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Protein Adduct Stoichiometry Prediction
Note: all files must be excel spreadsheets ('.csv' or '.xlsx')
Choose file for deconvoluted mass spectrum of adducted protein sample
Download bound spectrum example
Choose file for compound description and constraints
Download compound description example
Choose file for standard adduct description and constraints (or do not upload and use default)
Download standard adducts example
Peak Search
Mass tolerance:
Minimum peak height:
Minimum mass difference between two protein adducts:
Re-calibration of mass spectrum:
Automatic
Manual
None
Return all peaks detected (even those without any feasible species):
No
Yes
Feasible Set
Maximum unique standard adducts:
Coordination number of metal:
Minimum number of proteins:
(for when there are multiple proteins)
Maximum number of proteins:
(for when there are multiple proteins)
Isotope pattern generation method:
Hyperfine
Coarse
Note that the coarse method currently will not work correctly due to a bug in the PyOpenMS Python library. This is a known issue that will be fixed by the next version.
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