Additional file 9. Top 10 ranks with ChemSpider on the Orbitrap XL Dataset The results were obtained with MetFrag2.2 formula query and the inclusion of references and retention time. Each small dot shows the number of first ranks with a given combination of weights. The larger dots show the best result (471 in the top 10), 90 th percentile (460), median (450), 10 th percentile (404) and worst result (223).