Skip to main content
. Author manuscript; available in PMC: 2024 Oct 21.
Published in final edited form as: Nat Methods. 2021 Dec 2;18(12):1524–1531. doi: 10.1038/s41592-021-01331-z

Fig. 1 |. Spectral entropy as a parameter to characterize MS/MS spectra.

Fig. 1 |

a, Formula to calculate spectral entropy with results for mock-up spectra. b, Spectral entropy calculated for example spectra from MassBank.us with precursor ion peaks in gray. Spectrum of guanosine is generated from Orbitrap with 35 eV; spectrum of lactitol is generated from TripleTOF with 35 eV; spectrum of l-valine is generated from QTOF with 55 eV; and spectrum of juarezic acid is generated from Q exactive HF with 65 eV. c, relationship between spectral entropy and number of MS/MS fragment ions. d, Distribution of spectral entropies in the NIST20, MassBank.us and GNPS databases.