Bile Acid LC-IMS-MS Library (positive and negative mode)

Baker Lab Bile Acid LC-IMS-MS Skyline Library as of May 2025. Includes reversed-phase liquid chromatography retention times, collision cross section (CCS) values, and m/z ratios for 283 bile acids. To use, please select the sheet which most accurately reflects your ionization mode, then copy and paste columns A-L, including column headers listed in row 2. Select the proper RT column in Skyline by changing the drop down option from "Ignore Column" to "Explicit Retention Time". RTs included for the following methods (listed in columns J-K): Library Method Name LC Column Flow Rate (mL/min) Column Temp. (C) MPA MPB Restek Acidic Restek Raptor C18 (1.8 µm, 50 mm x 2.1 mm) 0.5 60 Water with 0.1% formic acid 50:50 MeOH/Acetonitrile with 0.1% formic acid Restek Neutral Restek Raptor C18 (1.8 µm, 50 mm x 2.1 mm) 0.5 60 Water with 5 mM ammonium acetate 50:50 MeOH/Acetonitrile CSH Acidic Waters ACQUITY Premier CSH C18 (1.7 µm, 2.1 mm x 100 mm) 0.4 60 Water with 0.1% formic acid Acetonitrile with 0.1% formic acid