Lipidomique Database January 06, 2020, 10:49:40 AM Dear Ms_Dial developers,First of all I wish you a very happy new year 2020.I have been using MS_dial for a few days for lipidomics in LC-MS in DDA mode using the fiehn method. However, I modified the HPLC method. I reduced the flow rate to 250 µl / min. So the method is longer than the original method.- Is it possible to replace the original retention times automatically on the lipidomic database ?If yes, how can I do it?Overall, how can I predict retention times from your database with my method that are very close to your method?Have a good daySebas Quote Selected
Re: Lipidomique Database Reply #1 – January 13, 2020, 07:23:41 AM Hi Sebas,currently, there is no way to generate such an "order-made" retention time library for lipidomics project.(if you wanna use the retention time information, you should follow the same LC condition that I have provided.)Recently, our team is developing the utility to replace the retention time information by importing the user-defined training set including the pairs of retention time and SMILES codes. So I will post the news when it's ready for end-users.ThanksHiroshi Quote Selected