Additional file 1: of Untargeted Mass Spectrometry Lipidomics identifies correlation between serum sphingomyelins and plasma cholesterol

Figure S1. Representative total ion current (TIC) chromatogram profiles in positive (A) & negative (B) ion modes. Data were obtained following untargeted liquid chromatography mass spectrometry (LC-MS) analysis with a CSH C18 columnof a quality control samples representing a pool of plasma samples. Retention times (X-axis) are plotted against relative intensity of the spectral peaks (Y-axis). Approximate positions of the families of lipid compounds in the chromatogram are shown: CE Ceramides, DG Diacyglycerol, FA Fatty Acids, PC Phosphatidylcholines, PE Phosphatidylethanolamines, PG Phosphatidylglycerolipids, PI phosphatidylinositols, PS phosphatidylserines, SM sphingomyelins, TG Triacylglycerol. Figure S2. 3-D Principal component analysis of mass spectrometry data in the cohort. Metabolome data from plasma samples of the cohort processed with a CSH C18 column were analyzed after filtering and normalization for the positive mode (A) and the negative mode (B). Figure S3. Metabolome-wide association between metabolic features and plasma LDL (A, B) and total (C, D) cholesterol. Metabolomic data were obtained by liquid chromatography mass spectrometry (LC-MS) with a CSH C18 column.Spectral features referenced by their mass to charge ratio (X-axis) are plotted against the statistical significance of the association to plasma LDL and total cholesterol (Y-axis). Association results are shown for data in negative (A, C) and positive (B, D) ionization modes. (PPTX 579 kb)