MRMPROBS tutorial dataset (for MS-DIAL5)

This dataset is designed for use with MRMPROBS and its accompanying tutorial. It contains:

A raw data file (*.lcd) of lipid extraction from mouse muscle tissue acquired using Shimadzu QTOF LCMS-9030 with DIA-MS-OAD (Data Independent Acquisition-Mass Spectrometry-Oxygen Addition Dissociation) method 

Output files (20231204_QC_* and  AlignmentResult_2024_01_16_17_*) generated by MS-DIAL analysis

Additional files utilized in the MRMPROBS tutorial video

To reproduce the tutorial results:

Load the project in MS-DIAL: Open the MRMPROBS_tutorial.mdproject file. Please note that it is necessary that the MS-DIAL analysis output files (20231204_QC_* and  AlignmentResult_2024_01_16_17_)  are also located in the same 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 C57BL/6J mice

Experiment parameter:

The precursor isolation window of the DIA method is written in swath_dictionary.txt. 

Nexera X2 UPLC system (Shimadzu, Kyoto, Japan) was used as the LC system. Lipids were separated using an Imtakt UK-C18 MF column (50 mm × 2 mm:3 μm) (Imtakt, Kyoto, Japan). The MS detection of lipids was performed using a QTOF-MS (LCMS-9030; Shimadzu, MA, USA).