The best result of same annotation compound with different retention time May 09, 2023, 01:29:54 AM Hi, For LC-MS data, after running MS-DIAL, I got annotation results from AlignResult-*.msdial. I found the same annotation compound with different Average Rt(min) and same Average Mz, so how can I choose the right one? In this situation, all have same Annotation tag (VS1.0) and Total score. Hope someone can fix it.The example:Alignment_ID Average_Rt(min) Average_Mz Metabolite_name Adduct_type Post_curation_result Fill_% MS/MS_assigned108 6.462 149.02376 Maltol [M+Na]+ . 0.167 True109 16.723 149.02376 Maltol [M+Na]+ . 0.333 True110 18.059 149.02376 Maltol [M+Na]+ . 1 True111 24.583 149.02376 Maltol [M+Na]+ . 1 True Last Edit: May 09, 2023, 01:36:59 AM by Ruth