Metabolomics

Dataset Information

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GNPS - Dataset from untargeted metabolomics of urine samples (ESI negative)


ABSTRACT: human urine samples for untargeted HILIC-MS/MS DDA (top2) ESI negative mode

INSTRUMENT(S): 6520A Quadrupole Time-of-Flight LC/MS

ORGANISM(S): Homo Sapiens (ncbitaxon:9606)

SUBMITTER: Fausto Carnevale Neto  

PROVIDER: MSV000087012 | GNPS | Fri Mar 05 16:47:00 GMT 2021

REPOSITORIES: GNPS

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Publications

Expanding Urinary Metabolite Annotation through Integrated Mass Spectral Similarity Networking.

Neto Fausto Carnevale FC   Raftery Daniel D  

Analytical chemistry 20210826 35


The urine metabolome constitutes a rich source of functional information reflecting physiological states that are influenced by distinct conditions and biological stresses, such as responses to drug treatments or disease manifestations. Although global liquid chromatography-mass spectrometry (MS) profiling provides the most comprehensive measurement of metabolites in complex biological samples, annotation remains a challenge, and computational approaches are necessary to translate the molecular  ...[more]

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