Suspect list search (by mass) January 29, 2024, 05:54:43 AM Hi MS-DIAL users and developers,I was wondering if it is (or could be) possible to search using a suspect list. For example, in LC can we import a list of precursor mass of interest and if some of the mass are found in your samples, the peaks would be tagged (like "reference matched" in library search)?I would like to use a suspect list like one of these: https://www.norman-network.com/nds/SLE/ as pre-screening method.Other licensed software allow even to import lists of molecular formula, then calculates the theorical precursor mass (depending on possible adducts) and isotopes and look for these in your samples. I can see how implementing this could be challenging but a first step could be to work with the mass only. Is this something you could see possible to add in MS-DIAL in the future?CheersJean Quote Selected
Topic: Suspect list search (by mass)