Cargando…

Automated workflows for accurate mass-based putative metabolite identification in LC/MS-derived metabolomic datasets

Motivation: The study of metabolites (metabolomics) is increasingly being applied to investigate microbial, plant, environmental and mammalian systems. One of the limiting factors is that of chemically identifying metabolites from mass spectrometric signals present in complex datasets. Results: Thre...

Descripción completa

Detalles Bibliográficos
Autores principales:	Brown, Marie, Wedge, David C., Goodacre, Royston, Kell, Douglas B., Baker, Philip N., Kenny, Louise C., Mamas, Mamas A., Neyses, Ludwig, Dunn, Warwick B.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Oxford University Press 2011
Materias:	Original Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3709197/ https://www.ncbi.nlm.nih.gov/pubmed/21325300 http://dx.doi.org/10.1093/bioinformatics/btr079

Ejemplares similares

MUSCLE: automated multi-objective evolutionary optimization of targeted LC-MS/MS analysis
por: Bradbury, James, et al.
Publicado: (2015)

Perturbations in cardiac metabolism in a human model of acute myocardial ischaemia
por: Chacko, Sanoj, et al.
Publicado: (2021)

Quantitative LC–MS study of compounds found predictive of COVID-19 severity and outcome
por: Roberts, Ivayla, et al.
Publicado: (2023)

Atrial Fibrillation in Heart Failure: An Innocent Bystander?
por: Khan, MA, et al.
Publicado: (2012)

Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery()
por: Kell, Douglas B., et al.
Publicado: (2014)

Corrigendum to “Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery” [Drug Discov. Today 19 (2014), 171–182()
por: Kell, Douglas B, et al.
Publicado: (2014)

Unlocking the secrets of the microbiome: exploring the dynamic microbial interplay with humans through metabolomics and their manipulation for synthetic biology applications
por: Muhamadali, Howbeer, et al.
Publicado: (2023)

The role of reporting standards for metabolite annotation and identification in metabolomic studies
por: Salek, Reza M, et al.
Publicado: (2013)

Commentary on “Rapid identification of Streptococcus and Enterococcus species using diffuse reflectance-absorbance Fourier transform infrared spectroscopy and artificial neural networks”
por: Goodacre, Royston, et al.
Publicado: (2017)

Computational tools and workflows in metabolomics: An international survey highlights the opportunity for harmonisation through Galaxy
por: Weber, Ralf J. M., et al.
Publicado: (2016)

The Optimized Workflow for Sample Preparation in LC-MS/MS-Based Urine Proteomics
por: Saito, Suguru, et al.
Publicado: (2019)

Outcomes in Patients with Acute and Stable Coronary Syndromes; Insights from the Prospective NOBORI-2 Study
por: Fath-Ordoubadi, Farzin, et al.
Publicado: (2014)

“Notame”: Workflow for Non-Targeted LC–MS Metabolic Profiling
por: Klåvus, Anton, et al.
Publicado: (2020)

A Python-Based Pipeline for Preprocessing LC–MS Data for Untargeted Metabolomics Workflows
por: Riquelme, Gabriel, et al.
Publicado: (2020)

Inter-laboratory reproducibility of fast gas chromatography–electron impact–time of flight mass spectrometry (GC–EI–TOF/MS) based plant metabolomics
por: Allwood, J. William, et al.
Publicado: (2009)

A glycomic workflow for LC–MS/MS analysis of urine glycosaminoglycan biomarkers in mucopolysaccharidoses
por: Nilsson, Jonas, et al.
Publicado: (2023)

ROIMCR: a powerful analysis strategy for LC-MS metabolomic datasets
por: Gorrochategui, Eva, et al.
Publicado: (2019)

Identification of Metabolite Interference Is Necessary for Accurate LC-MS Targeted Metabolomics Analysis
por: Jia, Zhikun, et al.
Publicado: (2023)

Evidence That Multiple Defects in Lipid Regulation Occur before Hyperglycemia during the Prodrome of Type-2 Diabetes
por: Anderson, Simon G., et al.
Publicado: (2014)

Small molecule biomarker discovery: Proposed workflow for LC-MS-based clinical research projects
por: Rischke, S., et al.
Publicado: (2023)

Dataset of mouse hippocampus profiled by LC–MS/MS for label-free quantitation
por: English, Jane A., et al.
Publicado: (2016)

Proteome dataset of Hemileia vastatrix by LC–MS/MS label-free identification
por: Cury, Natália Faustino, et al.
Publicado: (2022)

A novel accurate LC-MS/MS method for quantitative determination of Z-lumirubin
por: Jašprová, Jana, et al.
Publicado: (2020)

Guidelines and considerations for the use of system suitability and quality control samples in mass spectrometry assays applied in untargeted clinical metabolomic studies
por: Broadhurst, David, et al.
Publicado: (2018)

Serum sphingolipids level as a novel potential marker for early detection of human myocardial ischaemic injury
por: Egom, Emmanuel E., et al.
Publicado: (2013)

Isotopic labeling-assisted metabolomics using LC–MS
por: Bueschl, C., et al.
Publicado: (2012)

Accurate LC Peak Boundary Detection for (16) O/ (18) O Labeled LC-MS Data
por: Cui, Jian, et al.
Publicado: (2013)

MetMSLine: an automated and fully integrated pipeline for rapid processing of high-resolution LC–MS metabolomic datasets
por: Edmands, William M. B., et al.
Publicado: (2015)

A novel untargeted metabolomics correlation-based network analysis incorporating human metabolic reconstructions
por: Kotze, Helen L, et al.
Publicado: (2013)

Alignment of multiple metabolomics LC-MS datasets from disparate diseases to reveal fever-associated metabolites
por: Năstase, Ana-Maria, et al.
Publicado: (2023)

Mass spectrometry dataset for LC-MS metabolomics analysis of Garcinia mangostana L. seed development
por: Mazlan, Othman, et al.
Publicado: (2018)

Integrated LC-MS/MS system for plant metabolomics
por: Sawada, Yuji, et al.
Publicado: (2013)

MRCQuant- an accurate LC-MS relative isotopic quantification algorithm on TOF instruments
por: Haskins, William E, et al.
Publicado: (2011)

A Statistically Rigorous Test for the Identification of Parent−Fragment Pairs in LC-MS Datasets
por: Ipsen, Andreas, et al.
Publicado: (2010)

Metabolomics shows the way to new discoveries
por: Goodacre, Royston
Publicado: (2005)

NEWS: the 2023 Metabolomics publication awards
por: Goodacre, Royston
Publicado: (2023)

Metabolic profiling reveals potential metabolic markers associated with Hypoxia Inducible Factor-mediated signalling in hypoxic cancer cells
por: Armitage, Emily G., et al.
Publicado: (2015)

A simple and accurate LC‑MS/MS method for monitoring cyclosporin A that is suitable for high throughput analysis
por: Yuan, Ying-Shi, et al.
Publicado: (2023)

Importance of highly selective LC–MS/MS analysis for the accurate quantification of tamoxifen and its metabolites: focus on endoxifen and 4-hydroxytamoxifen
por: Jager, N. G. L., et al.
Publicado: (2012)

A Highly Efficient Workflow for Detecting and Identifying Sequence Variants in Therapeutic Proteins with a High Resolution LC-MS/MS Method
por: Cadang, Lance, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_3mmpugb0piljkugjiu9uskmbke