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. 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

Extended Data Fig. 4 |. NIST20 Orbitrap MS/MS spectra for ATP and AdP at collision energy 30 eV.

Extended Data Fig. 4 |

This comparison shows that similar structures may give highly similar mass spectra. Dot-product similarity yields much higher values, while differences between the mass spectra are most apparent for lower abundant ions that are emphasized by dynamic weighted similarity scores (for example for m/z 410).