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Table 4 Truncated output table for a spectrum recorded for a Ub/cisplatin containing feasible solutions and their corresponding measures

From: AdductHunter: identifying protein-metal complex adducts in mass spectra

Identity

PO

Intensity

Mass

Peak

ppm

Closeness of Fit

Closest

Ub

0

0.823263

8564.634

8564.63

0.359771

0.331434

TRUE

Ub + Pt

2

0.025543

8757.589

8757.608

2.199949

0.602192

TRUE

Ub + Pt + NH3

2

0.204161

8774.61

8774.624

0.979775

0.569154

TRUE

Ub + Pt + H2O

2

0.204161

8775.6

8774.624

111.1512

1.737765

FALSE

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  1. The columns PO, Mass, and Peak, refer to the proton offset, theoretical nominal mass peak, and experimental mass peak, respectively