Skip to main content

Table 1 Comparison with other approaches—the total numbers of peaks in the experimental spectra of NRPs/PKs and the numbers of peaks annotated by the tools. The weighted ratio of matched peaks is also reported for CycloBranch in percent (i.e., the sum of intensities of matched peaks divided by the sum of intensities of all experimental peaks)

From: MassSpecBlocks: a web-based tool to create building blocks and sequences of nonribosomal peptides and polyketides for tandem mass spectra analysis

NRP/PK

Exp. peaks

CycloBranch

NRPro

Dereplicator

Dereplicator+

Pseudacyclin A

29

26 (99%)

23

6

14

Roseotoxin A

25

21 (97%)

22

8

19

Ornibactin C8

127

31 (47%)

46

7

23

Desferrioxamine B

11

10 (96%)

11

Ferrioxamine B

42

18 (80%)