Article

“A novel paradigm for optimal mass feature peak picking in large scale LC-MS datasets using the ‘isopair’: isoLock, autoCredential and anovAlign”

2021-12-07

Abstract excerpt

Untargeted metabolomics enables direct quantification of metabolites without apriori knowledge of their identity. Liquid chromatography mass spectrometry (LC-MS), a popular method to implement untargeted metabolomics, identifies metabolites via combined mass/charge (m/z) and retention time as mass features. Improvements in the sensitivity of mass spectrometers has increased the complexity of data produced, leading...

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Literature Corpus work: eeba9f69-a263-5910-9beb-7da90139686f
DOI: 10.1101/2021.12.05.471237

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