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Integrative processing of untargeted metabolomic and lipidomic data using MultiABLER.


ABSTRACT: Mass spectrometry (MS)-based untargeted metabolomic and lipidomic approaches are being used increasingly in biomedical research. The adoption and integration of these data are critical to the overall multi-omic toolkit. Recently, a sample extraction method called Multi-ABLE has been developed, which enables concurrent generation of proteomic and untargeted metabolomic and lipidomic data from a small amount of tissue. The proteomics field has a well-established set of software for processing of acquired data; however, there is a lack of a unified, off-the-shelf, ready-to-use bioinformatics pipeline that can take advantage of and prepare concurrently generated metabolomic and lipidomic data for joint downstream analyses. Here we present an R pipeline called MultiABLER as a unified and simple upstream processing and analysis pipeline for both metabolomics and lipidomics datasets acquired using liquid chromatography-tandem mass spectrometry. The code is available via an open-source license at https://github.com/holab-hku/MultiABLER.

SUBMITTER: Lee ICH 

PROVIDER: S-EPMC10227420 | biostudies-literature | 2023 Jun

REPOSITORIES: biostudies-literature

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Integrative processing of untargeted metabolomic and lipidomic data using MultiABLER.

Lee Ian C H ICH   Tumanov Sergey S   Wong Jason W H JWH   Stocker Roland R   Ho Joshua W K JWK  

iScience 20230513 6


Mass spectrometry (MS)-based untargeted metabolomic and lipidomic approaches are being used increasingly in biomedical research. The adoption and integration of these data are critical to the overall multi-omic toolkit. Recently, a sample extraction method called Multi-ABLE has been developed, which enables concurrent generation of proteomic and untargeted metabolomic and lipidomic data from a small amount of tissue. The proteomics field has a well-established set of software for processing of a  ...[more]

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