We run SIRIUS on the same test set we developed for evaluating Spec2Mol. As input, we provided SIRIUS with the positive mode spectra (that is [M+H]+ at low and high energy) as they were selected for Spec2Mol. The spectra from negative ions were not used since a single run for SIRIUS accepts spectra from a single precursor which may be obtained through different energies. As 53 test cases out of the 1000 cases of the test set did not have any positive mode spectra and therefore the test set used for the comparison consists of 947 cases. As a side note, SIRIUS performs structure elucidation after identifying the molecular formula. The number of molecular formulas to be explored is one of the parameters of the tool which we set to 10. An additional parameter is the reference database which we set to PubChem, which is the largest available source offered by SIRIUS. Finally, SIRIUS allows the user to define the set of chemical elements to be considered when performing the search which we set to: C, H, O, N, S, Cl, F, Br, P and I. It should be noted that expanding the pre-defined set of atoms (C, H, N, O, P, S) to account for more rare atoms which were present in the NIST dataset significantly increased the running time.