Database Searching for Structural Identification of Metabolites in Complex Biofluids for Mass Spectrometry-Based Metabonomics (Q37810165)

23 August 2017

title

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

1 reference

23 August 2017

Database Searching for Structural Identification of Metabolites in Complex Biofluids for Mass Spectrometry-Based Metabonomics (English)

1 reference

28 August 2024

0 references

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A21083108

28 August 2024

6

David F. Grant

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A21083108

28 August 2024

author name string

Tzipporah M. Kertesz

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A21083108

28 August 2024

Dennis W. Hill

2

1 reference

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28 August 2024

Daniel R. Albaugh

3

1 reference

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28 August 2024

Lowell H. Hall

4

1 reference

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28 August 2024

L. Mark Hall

5

1 reference

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28 August 2024

language of work or name

English

1 reference

National Center for Biotechnology Information

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=21083108

28 August 2024

publication date

1 December 2009

1 reference

full work available at URL

23 August 2017

https://www.tandfonline.com/doi/pdf/10.4155/bio.09.145

1 reference

28 August 2024

1 reference

23 August 2017

volume

1

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23 August 2017

issue

9

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23 August 2017

page(s)

1627-1643

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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

cites work

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

Quantitative high resolution 1H NMR urinalysis studies on the biochemical effects of cadmium in the rat

21 January 2018

4

1 reference

Combinations of multiple serum markers are superior to individual assays for discriminating malignant from benign pelvic masses

28 August 2024

18

1 reference

Metabonomics study of intestinal fistulas based on ultraperformance liquid chromatography coupled with Q-TOF mass spectrometry (UPLC/Q-TOF MS)

28 August 2024

19

1 reference

Urinary profiling investigation of metabolites with cis-diol structure from cancer patients based on UPLC-MS and HPLC-MS as well as multivariate statistical analysis

28 August 2024

22

1 reference

A rapid screening approach to metabonomics using UPLC and oa-TOF mass spectrometry: application to age, gender and diurnal variation in normal/Zucker obese rats and black, white and nude mice

28 August 2024

24

1 reference

The detection of phenotypic differences in the metabolic plasma profile of three strains of Zucker rats at 20 weeks of age using ultra-performance liquid chromatography/orthogonal acceleration time-of-flight mass spectrometry

28 August 2024

25

1 reference

The metabonomics of aging and development in the rat: an investigation into the effect of age on the profile of endogenous metabolites in the urine of male rats using 1H NMR and HPLC-TOF MS

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27

1 reference

MSE with mass defect filtering for in vitro and in vivo metabolite identification

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38

1 reference

Using the KEGG database resource

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58

1 reference

28 August 2024

The tumor metabolome

61

1 reference

SphinGOMAP--a web-based biosynthetic pathway map of sphingolipids and glycosphingolipids

28 August 2024

62

1 reference

Determination of mycotoxins by gradient high-performance liquid chromatography using an alkylphenone retention index system

28 August 2024

77

1 reference

Reversed-phase solvent-gradient HPLC retention indexes of drugs

28 August 2024

78

1 reference

Gas-chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone

28 August 2024

79

1 reference

The predicting study for chromatographic retention index of saturated alcohols by MLR and ANN.

28 August 2024

80

1 reference

Surface-induced dissociation of singly and multiply protonated polypropylenamine dendrimers

28 August 2024

98

1 reference

Ligand binding mode to duplex and triplex dna assessed by combining electrospray tandem mass spectrometry and molecular modeling

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102

1 reference

Positive and negative ion mode ESI-MS and MS/MS for studying drug–DNA complexes

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103

1 reference

28 August 2024

Identifiers

DOI

10.4155/BIO.09.145

1 reference

23 August 2017

1 reference