Ozone-induced dissociation (OzID) coupled with ion mobility spectrometry-mass spectrometry (IMS-MS) provides the capacity for in-depth structural elucidation of lipids with isomer separation and confident assignment of double bond positions, however, OzID data analysis remains very challenging. Here, the authors develop a Python tool, LipidOz, for the automated determination of lipid double bond locations from complex LC-OzID-IMS-MS data, with a combination of traditional automation and deep learning approaches.
- Dylan H. Ross
- Joon-Yong Lee
- Xueyun Zheng
