LC-MS/MS (EAD) - deep structural lipid annotation tutorial dataset (for MS-DIAL5)

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

A raw data file (*.wiff/ .wiff.scan/ .wiff2/ .timeseries.data) of lipid extraction from mouse eye using LC-DDA-MS/MS (EAD, 14eV)

Output files (*_20240126* and  AlignmentResult_2024_01_26_15*) generated by MS-DIAL analysis.

To reproduce the tutorial results:

Load the project in MS-DIAL: Open the For_Molecular_Spectrum_Networking.mdproject file. Please note that it is necessary that the MS-DIAL analysis output files (*_20240126* and  AlignmentResult_2024_01_26_15*) 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:

Bligh & Dyer lipid extraction and solid-phase purification from C57BL/6J mice

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).