Mass spectral databases for LC/MS-and GC/MS-based metabolomics: State of the field and future prospects

M Vinaixa, EL Schymanski, S Neumann… - TrAC Trends in …, 2016 - Elsevier
At present, mass spectrometry (MS)-based metabolomics has been widely used to obtain
new insights into human, plant, and microbial biochemistry; drug and biomarker discovery; …

Metabolomics: small molecules that matter more

BC Muthubharathi, T Gowripriya, K Balamurugan - Molecular omics, 2021 - pubs.rsc.org
Metabolomics, an analytical study with high-throughput profiling, helps to understand
interactions within a biological system. Small molecules, called metabolites or metabolomes …

[HTML][HTML] Ion mobility collision cross-section atlas for known and unknown metabolite annotation in untargeted metabolomics

Z Zhou, M Luo, X Chen, Y Yin, X Xiong, R Wang… - Nature …, 2020 - nature.com
The metabolome includes not just known but also unknown metabolites; however,
metabolite annotation remains the bottleneck in untargeted metabolomics. Ion mobility …

[HTML][HTML] Metabolomics study of COVID-19 patients in four different clinical stages

A Valdés, LO Moreno, SR Rello, A Orduña… - Scientific reports, 2022 - nature.com
Abstract SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) is the coronavirus
strain causing the respiratory pandemic COVID-19 (coronavirus disease 2019). To …

[HTML][HTML] Chemical Similarity Enrichment Analysis (ChemRICH) as alternative to biochemical pathway mapping for metabolomic datasets

DK Barupal, O Fiehn - Scientific reports, 2017 - nature.com
Metabolomics answers a fundamental question in biology: How does metabolism respond to
genetic, environmental or phenotypic perturbations? Combining several metabolomics …

Web-based inference of biological patterns, functions and pathways from metabolomic data using MetaboAnalyst

J Xia, DS Wishart - Nature protocols, 2011 - nature.com
MetaboAnalyst is an integrated web-based platform for comprehensive analysis of
quantitative metabolomic data. It is designed to be used by biologists (with little or no …

Generating the blood exposome database using a comprehensive text mining and database fusion approach

DK Barupal, O Fiehn - Environmental health perspectives, 2019 - ehp.niehs.nih.gov
Background: Blood chemicals are routinely measured in clinical or preclinical research
studies to diagnose diseases, assess risks in epidemiological research, or use metabolomic …

Structure annotation of all mass spectra in untargeted metabolomics

I Blaženović, T Kind, MR Sa, J Ji, A Vaniya… - Analytical …, 2019 - ACS Publications
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 …

[HTML][HTML] Essential metabolism for a minimal cell

M Breuer, TM Earnest, C Merryman, KS Wise, L Sun… - Elife, 2019 - elifesciences.org
JCVI-syn3A, a robust minimal cell with a 543 kbp genome and 493 genes, provides a
versatile platform to study the basics of life. Using the vast amount of experimental …

Toward global metabolomics analysis with hydrophilic interaction liquid chromatography–mass spectrometry: improved metabolite identification by retention time …

DJ Creek, A Jankevics, R Breitling, DG Watson… - Analytical …, 2011 - ACS Publications
Metabolomics is an emerging field of postgenomic biology concerned with comprehensive
analysis of small molecules in biological systems. However, difficulties associated with the …