LipidMS v3.0.3: source code and example of lipidomics dataset for human serum
Creators
- 1. Biomarkers and Precision Medicine Unit, Medical Research Institute-Hospital La Fe, Av. Fernando Abril Martorell 106, Valencia, 46026, Spain.
- 2. Department of Informatics, Medical Research Institute-Hospital La Fe, Av. Fernando Abril Martorell 106, Valencia, 46026, Spain.
- 3. Analytical Unit, Medical Research Institute-Hospital La Fe, Av. Fernando Abril Martorell 106, Valencia, 46026, Spain.
Description
Source code and example dataset for LipidMS v3.0.3: a commercially available pooled human serum sample was analyzed in positive and negative detection modes and using MS1, DIA and DDA approaches. The obtained datasets were processed using LipidMS v3.0, MS-DIAL v4.80 or a combination of data pre-processing in XCMS v3.16 and lipid annotation in LipidMS v3.0.
This repository contains:
- Raw data for positive and negative polarities using MS scan, DIA and DDA acquisition modes.
- R scripts for processing with LipidMS v3.0.3 and XCMS v3.16.1 and parameters used for processing with MS-DIAL v4.80.
- Source code for LipidMS v3.0.3.
- Results obtained for the 3 different softwares employed.
- Tutorials for LipidMS R package and online application.
- Human pooled serum analysis
- Raw data for positive and negative polarities using MS scan, DIA and DDA acquisition modes for a human pooled serum sample with or without the addition of 68 lipid standars
- Results for the data processing and annotation of the lipid standards using LipidMS 3.0, XCMS 3.16 and MS-DIAL 4.80
- Results for the manual curation of the total lipid annotations provided by both LipidMS 3.0 and MS-DIAL 4.80
Files
rawdata_negative.zip
Files
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Additional details
Related works
- Is cited by
- Preprint: 10.1101/2022.02.25.476005 (DOI)