Fig. 2: MS-RIDD analysis workflow.
From: MS-RIDD paves the way toward routine double bond localization in mass spectrometry-based lipidomics
Liquid chromatography–mass spectrometry data (LC–MS) are initially processed by MS-DIAL, irrespective of whether they comprise collision-induced dissociation tandem mass spectra (LC-CID-MS/MS) or oxygen attachment dissociation tandem mass spectra (LC-OAD-MS/MS). This step includes peak picking, assignment of MS/MS spectra, and peak alignment. Additionally, based on LC-CID-MS/MS data, MS-DIAL annotates the spectra up to the lipid molecular species level, e.g. PC 16:1_20:4. The results of MS-DIAL are directly utilized by MS-RIDD, which subsequently identifies diagnostic fragment pairs in the LC-OAD-MS/MS data to resolve double bond (C=C) positions. MS-RIDD maps the obtained information to the associated lipid molecular species, providing annotations at the C=C position resolved level, such as PC 16:1(n-7)_20:4(n-6,9,12,15).
