MassIVE MSV000090242

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GNPS - A Novel Approach of SWATH- based metabolomics analysis using HMDB spectral library

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Description

Metabolomics is recognized as a potential approach to paving new avenues for clinical diagnosis, molecular medicine, and therapeutic drug monitoring and development. The conventional metabolomics analysis pipeline depends on the IDA technique. Although powerful, it still suffers from stochastic, not reproducible ion selection across samples. Despite the presence of different metabolomics workbenches, metabolite identification remains tedious task and time-consuming. Consequently, SWATH acquisition has attracted much attention to overcome this limitation. In this article, a novel SWATH platform for data analysis has been developed with the generation of an accurate mass spectral library for metabolite identification using SWATH acquisition. The workflow was validated using the inclusion/ exclusion standard compounds list. The false-positive identification was 3.4% from the non-endogenous drugs with 96.6% specificity. The workflow has proven to overcome background noise despite the complexity of the SWATH sample. From HMDB, 1282 compounds were tested in various biological samples to demonstrate the feasibility of the workflow. The current study identified 377 compounds in positive and 303 in negative modes with 392 unique non-redundant metabolites. Finally, a free software tool, SASA, was developed to analyze SWATH acquired samples using the proposed pipeline. [doi:10.25345/C5930P032] [dataset license: CC0 1.0 Universal (CC0 1.0)]

Keywords: Metabolomics ; SWATH ; SASA

Contact

Principal Investigators:
(in alphabetical order) 		Sameh Magdeldin, Proteomics and metabolomics unit, Basic research department, Children's Cancer Hospital, 57357 Cairo, (CCHE-57357), Egypt
Submitting User: alianwar

Publications

Shikshaky H, Ahmed EA, Anwar AM, Osama A, Ezzeldin S, Nasr A, Mahgoub S, Magdeldin S.
A Novel Approach of SWATH-Based Metabolomics Analysis Using the Human Metabolome Database Spectral Library.
Int J Mol Sci. Epub 2022 Sep 18.

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GNPS content goes here (MSV000090242 [task=b7a30f9902374854bc2a6d8d4cde9493])
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