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Topic: The best result of same annotation compound with different retention time (Read 80 times) previous topic - next topic

The best result of same annotation compound with different retention time

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_assigned
108           6.462            149.02376   Maltol           [M+Na]+      .                     0.167   True
109           16.723           149.02376   Maltol           [M+Na]+      .                     0.333   True
110           18.059           149.02376   Maltol           [M+Na]+      .                     1       True
111           24.583           149.02376   Maltol           [M+Na]+      .                     1       True