Bile Acid LC-IMS-MS Library (positive and negative mode)
Authors/Creators
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1.
University of North Carolina Chapel Hill
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2.
University of North Carolina at Chapel Hill
Description
Baker Lab Bile Acid LC-IMS-MS Skyline Library as of February 2026. Includes reversed-phase liquid chromatography retention times (RT), collision cross section (CCS) values, and m/z ratios for 280 bile acids. Structural information is included when applicable.
To use, please select the sheet which most accurately reflects your ionization mode, then copy and paste columns A-K, 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".
Deuterated standards are listed in both the quantitation and deuterated sections for ease of import into Skyline.
Multiple library entries labeled with (#) following the name represent multiple resolved peaks in the LC dimension; entries labeled with (letter) represent resolution in the drift time dimension.
RTs included for the following methods (listed in columns I-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 |
Files
Files
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Additional details
Dates
- Available
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2026-02-17