AdductHunter: identifying protein-metal complex adducts in mass spectra

Table 3 Input table of standard adducts and constraints for the ubiquitin and cisplatin system

Species	Formula	Max	Charge
Hydrogen	H	10	1
Sodium	Na	1	1
Lithium	Li	1	1
Potassium	K	1	1

Min and Max indicate each component’s minimal and maximal values in any identified peak
M refers to the maximum number of the corresponding coordinating species per metal
An empty value means there is no limit, which is expected here as these adducts do not coordinate to the metal centre
The charge needs to be provided as positive or negative integers

ISSN: 1758-2946