(Q37810165)

23 August 2017

Database searching for structural identification of metabolites in complex biofluids for mass spectrometry-based metabonomics (English)

1 reference

23 August 2017

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Tzipporah M Kertesz

1

1 reference

23 August 2017

Dennis W Hill

2

1 reference

23 August 2017

Daniel R Albaugh

3

1 reference

23 August 2017

Lowell H Hall

4

1 reference

23 August 2017

L Mark Hall

5

1 reference

23 August 2017

David F Grant

6

1 reference

23 August 2017

1 December 2009

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23 August 2017

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23 August 2017

1

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23 August 2017

1627-1643

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23 August 2017

9

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'Metabonomics': understanding the metabolic responses of living systems to pathophysiological stimuli via multivariate statistical analysis of biological NMR spectroscopic data

23 August 2017

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Proton-nuclear-magnetic-resonance studies of serum, plasma and urine from fasting normal and diabetic subjects

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Metabolomics – the link between genotypes and phenotypes

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Metabolite profiling for plant functional genomics

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Systems biology: Metabonomics.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

An introduction to bioinformatics for glycomics research

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Bioinformatics for lipidomics

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Lipidomics: practical aspects and applications

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Lipidomics in diagnosis of lipidoses

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

21 January 2018

The peptidomics concept

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Metabolic profiling of plasma from discordant schizophrenia twins: correlation between lipid signals and global functioning in female schizophrenia patients.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Correlative and quantitative 1H NMR-based metabolomics reveals specific metabolic pathway disturbances in diabetic rats

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Combination of multiple serum markers using an artificial neural network to improve specificity in discriminating malignant from benign pelvic masses.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

A gender-specific discriminator in Sprague-Dawley rat urine: the deployment of a metabolic profiling strategy for biomarker discovery and identification.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Metabonomics and biomarker discovery: LC-MS metabolic profiling and constant neutral loss scanning combined with multivariate data analysis for mercapturic acid analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Analysis of dichloroacetic acid in rat blood and tissues by hydrophilic interaction liquid chromatography with tandem mass spectrometry

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Metabonomics: NMR spectroscopy and pattern recognition analysis of body fluids and tissues for characterisation of xenobiotic toxicity and disease diagnosis

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Metabonomics with 1H-NMR spectroscopy and liquid chromatography-mass spectrometry applied to the investigation of metabolic changes caused by gentamicin-induced nephrotoxicity in the rat.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

A metabonomic investigation of the biochemical effects of mercuric chloride in the rat using 1H NMR and HPLC-TOF/MS: time dependent changes in the urinary profile of endogenous metabolites as a result of nephrotoxicity

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Cyclosporin A-induced changes in endogenous metabolites in rat urine: a metabonomic investigation using high field 1H NMR spectroscopy, HPLC-TOF/MS and chemometrics

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Use of proteomic patterns in serum to identify ovarian cancer

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Biomarker qualification pilot process at the US Food and Drug Administration

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Biomarker discovery: validation and decision-making in product development

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Bridging cheminformatic metabolite prediction and tandem mass spectrometry

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

High-performance liquid chromatography-tandem mass spectrometry in the identification and determination of phase I and phase II drug metabolites

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Assessing the reliability of methods for predicting drug metabolites

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Application of mass spectrometry for metabolite identification

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Strategies for dealing with metabolite elucidation in drug discovery and development

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Analytical strategies for identifying drug metabolites

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

MPS: An artificially intelligent software system for the analysis and synthesis of metabolic pathways.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Predicting drug metabolism--an evaluation of the expert system METEOR.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

A software filter to remove interference ions from drug metabolites in accurate mass liquid chromatography/mass spectrometric analyses

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Extracting metabolite ions out of a matrix background by combined mass defect, neutral loss and isotope filtration

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Accelerated throughput metabolic route screening in early drug discovery using high-resolution liquid chromatography/quadrupole time-of-flight mass spectrometry and automated data analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Rapid detection and characterization of reactive drug metabolites in vitro using several isotope-labeled trapping agents and ultra-performance liquid chromatography/time-of-flight mass spectrometry

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Mass defect profiles of biological matrices and the general applicability of mass defect filtering for metabolite detection

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Rapid detection and identification of N-acetyl-L-cysteine thioethers using constant neutral loss and theoretical multiple reaction monitoring combined with enhanced product-ion scans on a linear ion trap mass spectrometer.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

ZINC--a free database of commercially available compounds for virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

HMDB: the Human Metabolome Database

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

METLIN: a metabolite mass spectral database

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

ChEBI: a database and ontology for chemical entities of biological interest

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Current progress in computational metabolomics

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

DrugBank: a knowledgebase for drugs, drug actions and drug targets

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

DrugBank: a comprehensive resource for in silico drug discovery and exploration

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Parts-per-billion mass measurement accuracy achieved through the combination of multiple linear regression and automatic gain control in a Fourier transform ion cyclotron resonance mass spectrometer

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Metabolomic database annotations via query of elemental compositions: mass accuracy is insufficient even at less than 1 ppm

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Mass spectral metabonomics beyond elemental formula: chemical database querying by matching experimental with computational fragmentation spectra.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Software for the calculation of isotope patterns in tandem mass spectrometry.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Isotopic pattern and accurate mass determination in urine drug screening by liquid chromatography/time-of-flight mass spectrometry

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Quantitative study of the structure-retention index relationship in the imine family.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Prediction of Kovats retention indices of some aliphatic aldehydes and ketones on some stationary phases at different temperatures using artificial neural network

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Prediction of HPLC retention index using artificial neural networks and IGroup E-state indices

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Absolute Rate Theory for Isolated Systems and the Mass Spectra of Polyatomic Molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Internal energy and fragmentation of ions produced in electrospray sources

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Comparison of algorithms and databases for matching unknown mass spectra.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Optimization and testing of mass spectral library search algorithms for compound identification

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Probability based matching of mass spectra. Rapid identification of specific compounds in mixtures

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Towards a universal product ion mass spectral library - reproducibility of product ion spectra across eleven different mass spectrometers

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

On the inter-instrument and the inter-laboratory transferability of a tandem mass spectral reference library: 2. Optimization and characterization of the search algorithm

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

On the inter-instrument and inter-laboratory transferability of a tandem mass spectral reference library: 1. Results of an Austrian multicenter study.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Estrogen receptor-ligand complexes measured by chip-based nanoelectrospray mass spectrometry: an approach for the screening of endocrine disruptors

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Manipulating internal energy of protonated biomolecules in electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

CE50: quantifying collision induced dissociation energy for small molecule characterization and identification.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Matching structures to mass spectra using fragmentation patterns: are the results as good as they look?

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Study of the fragmentation mechanism of protonated 6-hydroxychlorzoxazone: application in simultaneous analysis of CYP2E1 activity with major human cytochrome P450s

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Metabolomics: Current analytical platforms and methodologies

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Rapid and noninvasive diagnosis of the presence and severity of coronary heart disease using 1H-NMR-based metabonomics

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

Untargeted large-scale plant metabolomics using liquid chromatography coupled to mass spectrometry

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FBIO.09.145

21 January 2018

Identifiers

DOI

10.4155/BIO.09.145

1 reference

23 August 2017

1 reference