Mar 29, 2020

A Reference Feature based method for Quantification and Identification of LC-MS based untargeted metabolomics

BioRxiv : the Preprint Server for Biology
e. luan


Batch inconsistency is a major problem when applying LC-MS based untargeted metabolomics in real-time analysis situation such as clinical diagnosis or health monitoring. And inefficiency of collecting MS2 is a major problem for metabolite identification. Here, we developed a reference-feature based quantification and identification strategy (RFQI). In RFQI, samples are individually profiled using a pre-fixed reference feature table. Quantification results show that RFQI improves features'overlap rate and reduce variance across batches significantly in real-time-analysis mode, and can find more than 4-fold numbers of features. Besides, RFQI collects MS2 from consecutive increasing samples for metabolite identification of pre-fixed features, thus it can effectively compensate for the poor efficiency of MS2 collection in data-dependent acquisition mode. In summary, RFQI can make full advantage of consecutive increasing samples in real-time analysis situation, both for quantification and identification. Key words: batch effect, LC-MS based untargeted metabolomics, metabolite identification

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Mentioned in this Paper

Joint Capsule
Microbial Anatomical Capsule Structure
Complex (molecular entity)
Capsular-polysaccharide galactohydrolase
Klebsiella pneumoniae
Recombination, Genetic

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