LC-MS/MS (Hybrid MS-DDA/SWATH) tutorial dataset (for MS-DIAL5)

This dataset is designed for use with MS-DIAL 5 and its accompanying tutorial. It contains:

A library file (*.lbm2) which was converted the RT in the original database to solvent B% values in the LC gradient and then used the time at the B% value in the fast LC gradient (8.6 min) for the lipid RT.

A raw data file (*.wiff/ .wiff.scan/ .wiff2/ .timeseries.data) of lipid extraction from NIST Srm1950 human plasma using both LC-DDA-MS and LC-DIA-MS.

To reproduce the tutorial results:

Add the LBM2 file to the MS-DIAL folder. (NOTE: Exclude the original LBM2 format. The program accepts only one LBM/LBM2 file in the MS-DIAL folder.)

Follow the tutorial instructions: Proceed through the tutorial steps to analyze the data and achieve the same results.

Sample information:

Methyl-tert-butyl ether (MTBE) lipid extraction from NIST Srm1950 human plasma

Experiment parameter:

A Nexera X2 UPLC system (Shimadzu) was used as the LC system.  Lipids were separated using an Imtakt UK-C18 MF column (50 mm × 2 mm:3 μm) (Imtakt). The MS detection of lipids was performed using a QTOF-MS (ZenoTOF 7600; SCIEX).

See below for the details of "Hybrid MS" and dataset: K. Tokiyoshi et al. Anal Chem, 96, 991-996. 2024