Post-acquisition data mining techniques for LC-MS/MS-acquired data in drug metabolite identification (Q38620744)

4 September 2017

Post-acquisition data mining techniques for LC-MS/MS-acquired data in drug metabolite identification (English)

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metabolite identification

4 September 2017

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based on heuristic

inferred from title

object named as

metabolite identification

4 February 2023

author name string

Pooja Sukhdev Dhurjad

series ordinal

1

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PubMed ID

28816067

4 September 2017

Vamsi Krishna Marothu

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2

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PubMed ID

28816067

4 September 2017

Rajeshwari Rathod

series ordinal

3

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4 September 2017

17 August 2017

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4 September 2017

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4 September 2017

9

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4 September 2017

16

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4 September 2017

1265-1278

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Applications of mass spectrometry in drug metabolism: 50 years of progress

4 September 2017

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Liquid chromatography-mass spectrometry in in vitro drug metabolite screening.

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Applications of high-resolution MS in bioanalysis

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Application of LC-high-resolution MS with 'intelligent' data mining tools for screening reactive drug metabolites

21 January 2018

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Data acquisition and data mining techniques for metabolite identification using LC coupled to high-resolution MS.

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The application of high-resolution mass spectrometry-based data-mining tools in tandem to metabolite profiling of a triple drug combination in humans

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Drug metabolite profiling and identification by high-resolution mass spectrometry.

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Mass defect filter technique and its applications to drug metabolite identification by high-resolution mass spectrometry

21 January 2018

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Accurate mass filtering of ion chromatograms for metabolite identification using a unit mass resolution liquid chromatography/mass spectrometry system

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High-resolution extracted ion chromatography, a new tool for metabolomics and lipidomics using a second-generation orbitrap mass spectrometer

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Detection and characterization of ticlopidine conjugates in rat bile using high-resolution mass spectrometry: applications of various data acquisition and processing tools

21 January 2018

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Identification of 20(S)-protopanaxatriol metabolites in rats by ultra-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight tandem mass spectrometry and nuclear magnetic resonance spectroscopy.

21 January 2018

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

21 January 2018

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Detection and characterization of metabolites in biological matrices using mass defect filtering of liquid chromatography/high resolution mass spectrometry data

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The use of mass defect in modern mass spectrometry.

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Metabolite identification of the antimalarial piperaquine in vivo using liquid chromatography-high-resolution mass spectrometry in combination with multiple data-mining tools in tandem

21 January 2018

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High-resolution mass spectrometric metabolite profiling of a novel synthetic designer drug, N-(adamantan-1-yl)-1-(5-fluoropentyl)-1H-indole-3-carboxamide (STS-135), using cryopreserved human hepatocytes and assessment of metabolic stability with hum

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Rapid structural characterization of in vivo and in vitro metabolites of tinoridine using UHPLC-QTOF-MS/MS and in silico toxicological screening of its metabolites.

21 January 2018

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Identification of Metabolites of 6'-Hydroxy-3,4,5,2',4'-pentamethoxychalcone in Rats by a Combination of Ultra-High-Performance Liquid Chromatography with Linear Ion Trap-Orbitrap Mass Spectrometry Based on Multiple Data Processing Techniques.

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Profiling and identification of the metabolites of baicalin and study on their tissue distribution in rats by ultra-high-performance liquid chromatography with linear ion trap-Orbitrap mass spectrometer.

21 January 2018

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Recent advances in metabolite identification and quantitative bioanalysis by LC-Q-TOF MS.

21 January 2018

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Targeted Data-Independent Acquisition and Mining Strategy for Trace Drug Metabolite Identification Using Liquid Chromatography Coupled with Tandem Mass Spectrometry

21 January 2018

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An integrated method for metabolite detection and identification using a linear ion trap/Orbitrap mass spectrometer and multiple data processing techniques: application to indinavir metabolite detection

21 January 2018

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A high-resolution accurate mass (HR/AM) approach to identification, profiling and characterization of in vitro nefazodone metabolites using a hybrid quadrupole Orbitrap (Q-Exactive).

21 January 2018

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Post-acquisition analysis of untargeted accurate mass quadrupole time-of-flight MS(E) data for multiple collision-induced neutral losses and fragment ions of glutathione conjugates.

21 January 2018

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Simultaneous screening of glutathione and cyanide adducts using precursor ion and neutral loss scans-dependent product ion spectral acquisition and data mining tools

21 January 2018

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

21 January 2018

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An accurate-mass-based spectral-averaging isotope-pattern-filtering algorithm for extraction of drug metabolites possessing a distinct isotope pattern from LC-MS data

21 January 2018

1 reference

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Identification of flurochloridone metabolites in rat urine using liquid chromatography/high resolution mass spectrometry

21 January 2018

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Improved detection of reactive metabolites with a bromine-containing glutathione analog using mass defect and isotope pattern matching

21 January 2018

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High-resolution chromatography/time-of-flight MSE with in silico data mining is an information-rich approach to reactive metabolite screening

21 January 2018

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Identification and characterization of in vivo metabolites of asulacrine using advanced mass spectrophotometry technique in combination with improved data mining strategy

21 January 2018

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An algorithm for thorough background subtraction from high-resolution LC/MS data: application for detection of glutathione-trapped reactive metabolites.

21 January 2018

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An algorithm for thorough background subtraction from high-resolution LC/MS data: application to the detection of troglitazone metabolites in rat plasma, bile, and urine

21 January 2018

1 reference

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A retention-time-shift-tolerant background subtraction and noise reduction algorithm (BgS-NoRA) for extraction of drug metabolites in liquid chromatography/mass spectrometry data from biological matrices

21 January 2018

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An accelerated background subtraction algorithm for processing high-resolution MS data and its application to metabolite identification

21 January 2018

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Metabolite profiling of 14C-omacetaxine mepesuccinate in plasma and excreta of cancer patients.

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The profiling of the metabolites of hirsutine in rat by ultra-high performance liquid chromatography coupled with linear ion trap Orbitrap mass spectrometry: An improved strategy for the systematic screening and identification of metabolites in mult

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Xenobiotic metabolomics: major impact on the metabolome

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Metabolomics and its potential in drug development.

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LC-MS-based metabolomics in drug metabolism

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Advances in metabolite identification

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A combined non-targeted and targeted metabolomics approach to study the stereoselective metabolism of benalaxyl enantiomers in mouse hepatic microsomes

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SWATH acquisition mode for drug metabolism and metabolomics investigations

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An integrated strategy for in vivo metabolite profiling using high-resolution mass spectrometry based data processing techniques

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MyCompoundID MS/MS Search: Metabolite Identification Using a Library of Predicted Fragment-Ion-Spectra of 383,830 Possible Human Metabolites

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Urinary antihypertensive drug metabolite screening using molecular networking coupled to high-resolution mass spectrometry fragmentation

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Non-targeted screening approaches for contaminants and adulterants in food using liquid chromatography hyphenated to high resolution mass spectrometry

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Using fragmentation trees and mass spectral trees for identifying unknown compounds in metabolomics

21 January 2018

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Strategies for large-scale targeted metabolomics quantification by liquid chromatography-mass spectrometry

21 January 2018

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Molecular Networking As a Drug Discovery, Drug Metabolism, and Precision Medicine Strategy

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21 January 2018

Identifiers

DOI

10.4155/BIO-2017-0046

1 reference

4 September 2017

1 reference

PubMed ID

28816067