The Lipid annotations were performed on merged positive and negative mode data using a generic rule-based annotation tool implemented in MetaboScape. As a library-free approach, published fragmentation rules were applied to profile in total 42 lipid sub-classes from four categories: Glycerolipids (GL), Glycerophospholipids (GP), Sphingolipids (SP) and Sterol lipids (SL). The precursor ion mass tolerance was set to 5 ppm, the isotopic pattern matching (mSigma) value to 250 (ranging from 0=perfect match to 1000=no match) and the MS/MS matching score to 450. The results were manually inspected and obvious false annotations were removed using a 4D Kendrick Mass Defect Plot analysis (plotting exact mass vs. KMD(H or CH2), with a color coding used for retention times and the bubble sizes used to display CCS values. The generated lists of lipids were exported for further use.