Retention times for lipids in Fiehn articles and MS-DIAL April 13, 2021, 12:31:46 AM Hi all,should RT´s for lipids in MSDIAL-TandemMassSpectralAtlas-VS68-Pos.msp (latest version) correspond to those published in https://doi.org/10.1021/acs.analchem.7b03404 ?Fiehn article states RT 2.23 min for LPC 18:0, which i also similarly detect with his method. MSP file above, however, has RT of 6.75. If this is correct, so that MSP retention times should be like this, then two questions:1) Lipidomics processing in MS-DIAL 2.xx, does it have Fiehn RTs?2) Derivation of RTs in VS68 - measurement or in silico?Thx in advance for clues! Quote Selected
Re: Retention times for lipids in Fiehn articles and MS-DIAL Reply #1 – April 13, 2021, 07:56:39 AM The lipidomics default library of the recent ms-dial versions is based on the following article. https://www.nature.com/articles/s41587-020-0531-2The easy to read LC condition is described in the following article.https://jcheminf.biomedcentral.com/articles/10.1186/s13321-017-0205-3You can download the library file containing the Fiehn lab's RT values at:http://prime.psc.riken.jp/compms/msdial/main.html#MSPDownload this: MS-DIAL lipidomics (adjusted Oliver Fiehn lab LC-MS method)Then, replace the original "***.lbm2" file in ms-dial folder with the above lib.Thanks,Hiroshi Quote Selected
Re: Retention times for lipids in Fiehn articles and MS-DIAL Reply #2 – April 13, 2021, 08:51:18 AM Great thx! Didn't check that there are new conditions! Quote Selected