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Article

Structure Annotation of All Mass Spectra in Untargeted Metabolomics.

Analytical chemistry - 5 Feb 2019

Blaženović Ivana, Kind Tobias, Sa Michael R, Ji Jian, Vaniya Arpana, Wancewicz Benjamin, Roberts Bryan S, Torbašinović Hrvoje, Lee Tack, Mehta Sajjan S, Showalter Megan R, Song Hosook, Kwok Jessica, Jahn Dieter, Kim Jayoung, Fiehn Oliver

Abstract excerpt

Urine metabolites are used in many clinical and biomedical studies but usually only for a few classic compounds. Metabolomics detects vastly more metabolic signals that may be used to precisely define the health status of individuals. However, many compounds remain unidentified, hampering biochemical conclusions. Here, we annotate all metabolites detected by two untargeted metabolomic assays, hydrophilic...

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Identifiers

PMID: 30608141
DOI: 10.1021/acs.analchem.8b04698
PMCID: PMC11426395

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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