Comparison of triple quadrupole, hybrid linear ion trap triple quadrupole, time-of-flight and LTQ-Orbitrap mass spectrometers in drug discovery phase metabolite screening and identification in vitro--amitriptyline and verapamil as model compounds.

No abstract is available for this paper.

• Publication year

  2010

• Venue

  Rapid Communications in Mass Spectrometry

• Publication date

  2010-04-15

• Fields of study

  Medicine, Chemistry

• Identifiers
  DOI 10.1002/rcm.4465PMID 20209667
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

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

  2009cited by this paper
• Which human metabolites have we MIST? Retrospective analysis, practical aspects, and perspectives for metabolite identification and quantification in pharmaceutical development.

  2009cited by this paper
• Pharmaceutical metabolite profiling using quadrupole/ion mobility spectrometry/time-of-flight mass spectrometry.

  2009cited by this paper
• Two-injection workflow for a liquid chromatography/LTQ-Orbitrap system to complete in vivo biotransformation characterization: demonstration with buspirone metabolite identification.

  2009cited by this paper
• In silico methods for predicting metabolism and mass fragmentation applied to quetiapine in liquid chromatography/time-of-flight mass spectrometry urine drug screening.

  2009cited by this paper
• Extracting metabolite ions out of a matrix background by combined mass defect, neutral loss and isotope filtration.

  2009cited by this paper
• Comparison of metabolic stability and metabolite identification of 55 ECVAM/ICCVAM validation compounds between human and rat liver homogenates and microsomes - a preliminary analysis.

  2009cited by this paper
• Rapid screening and characterization of drug metabolites using multiple ion monitoring dependent product ion scan and postacquisition data mining on a hybrid triple quadrupole-linear ion trap mass spectrometer.

  2009cited by this paper
• A holistic strategy for characterizing the safety of metabolites through drug discovery and development.

  2009cited by this paper
• Liquid chromatography-mass spectrometry in in vitro drug metabolite screening.

  2009cited by this paper
• IsoScore: automated localization of biotransformations by mass spectrometry using product ion scoring of virtual regioisomers.

  2009cited by this paper
• High-throughput, accurate mass liquid chromatography/tandem mass spectrometry on a quadrupole time-of-flight system as a 'first-line' approach for metabolite identification studies.

  2008cited by this paper
• Rapid screening and characterization of drug metabolites using a multiple ion monitoring-dependent MS/MS acquisition method on a hybrid triple quadrupole-linear ion trap mass spectrometer.

  2008cited by this paper
• 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.

  2008cited by this paper
• Complete profiling and characterization of in vitro nefazodone metabolites using two different tandem mass spectrometric platforms.

  2007cited by this paper
• Metabolite identification by data-dependent accurate mass spectrometric analysis at resolving power of 60,000 in external calibration mode using an LTQ/Orbitrap.

  2007cited by this paper
• Metabolism: A Bottleneck in In Vitro Toxicological Test Development

  2006cited by this paper
• Feasibility of different mass spectrometric techniques and programs for automated metabolite profiling of tramadol in human urine.

  2006cited by this paper
• Simultaneously quantifying parent drugs and screening for metabolites in plasma pharmacokinetic samples using selected reaction monitoring information-dependent acquisition on a QTrap instrument.

  2005cited by this paper
• Published online in Wiley InterScience (www.interscience.wiley.com). DOI: 10.1002/jms.856 SPECIAL FEATURE: PERSPECTIVE The Orbitrap: a new mass spectrometer

  2005cited by this paper
• Accelerated throughput metabolic route screening in early drug discovery using high-resolution liquid chromatography/quadrupole time-of-flight mass spectrometry and automated data analysis.

  2005cited by this paper
• Strategies for characterization of drug metabolites using liquid chromatography-tandem mass spectrometry in conjunction with chemical derivatization and on-line H/D exchange approaches.

  2005cited by this paper
• 'All-in-one' analysis for metabolite identification using liquid chromatography/hybrid quadrupole time-of-flight mass spectrometry with collision energy switching.

  2005cited by this paper
• Prediction of drug metabolism and interactions on the basis of in vitro investigations.

  2005cited by this paper
• Automated assignment of high‐resolution collisionally activated dissociation mass spectra using a systematic bond disconnection approach

  2005cited by this paper
• Integration of knowledge-based metabolic predictions with liquid chromatography data-dependent tandem mass spectrometry for drug metabolism studies: application to studies on the biotransformation of indinavir.

  2004cited by this paper
• The Metabolic Fate of Amitriptyline, Nortriptyline and Amitriptylinoxide in Man

  2004cited by this paper
• Triple quadrupole linear ion trap mass spectrometer for the analysis of small molecules and macromolecules.

  2004cited by this paper
• Rapid screening and characterization of drug metabolites using a new quadrupole-linear ion trap mass spectrometer.

  2003cited by this paper
• Metabolism of verapamil: 24 new phase I and phase II metabolites identified in cell cultures of rat hepatocytes by liquid chromatography-tandem mass spectrometry.

  2003cited by this paper
• Use of a quadrupole linear ion trap mass spectrometer in metabolite identification and bioanalysis.

  2003cited by this paper
• A new linear ion trap mass spectrometer

  2002cited by this paper
• Metabolism and excretion of a novel antianxiety drug candidate, CP-93,393, in Long Evans rats. Differentiation of regioisomeric glucuronides by LC/MS/MS.

  1997cited by this paper

• Comparative Toxicokinetics and Biomarker Responses of Typical Psychiatric Pharmaceuticals in Daphnia magna

  2025cites this paper
• Phenolic Compounds and Derivatives in Ruminant Meat and Milk: A Systematic Review

  2025cites this paper
• Reliable and accessible methods for urea quantification in co-reduction of carbon-dioxide- and nitrogen-containing species

  2025cites this paper
• From Complexity to Clarity: Expanding Metabolome Coverage With Innovative Analytical Strategies

  2025cites this paper
• High-Efficiency Effect-Directed Analysis Leveraging Five High Level Advancements: A Critical Review.

  2024cites this paper
• Determination of alkaloid-inspired molecule vindeburnol in rabbit plasma by UPLC-HRMS and its application to pharmacokinetic studies and preliminary metabolite identification.

  2023cites this paper
• Comprehensive Lipidomic Workflow for Multicohort Population Phenotyping Using Stable Isotope Dilution Targeted Liquid Chromatography-Mass Spectrometry

  2023cites this paper
• Exploring the Contribution of (Poly)phenols to the Dietary Exposome Using High Resolution Mass Spectrometry Untargeted Metabolomics

  2022cites this paper
• A Comprehensive Study to Identify Major Metabolites of an Amoxicillin–Sulbactam Hybrid Molecule in Rats and Its Metabolic Pathway Using UPLC-Q-TOF-MS/MS

  2022cites this paper
• A unique sequential C-S or N-S inductive cleavage and retro-Diels-Alder fragmentation mechanism for alkylsulfonyl piperidine and piperazine containing compounds.

  2021cites this paper
• Review on in vivo profiling of drug metabolites with LC-MS/MS in the past decade.

  2021cites this paper
• Detection of selected tire wear compounds in urban receiving waters.

  2021cites this paper
• Metabolite Profiling and Characterization of LW6, a Novel HIF-1α Inhibitor, as an Antitumor Drug Candidate in Mice

  2021cites this paper
• The Application of Mass Spectrometry in Drug Metabolism and Pharmacokinetics.

  2021cites this paper
• UHPLC Q-Exactive MS-Based Serum Metabolomics to Explore the Effect Mechanisms of Immunological Activity of Astragalus Polysaccharides With Different Molecular Weights

  2020cites this paper
• Metabolomics meets lipidomics: Assessing the small molecule component of metabolism

  2020cites this paper
• Technical Overview of Orbitrap High Resolution Mass Spectrometry and Its Application to the Detection of Small Molecules in Food (Update Since 2012)

  2020cites this paper
• Comparison of uncoated vs superhydrophobic copper surfaces for metal spray ionization

  2020cites this paper
• Development of two-dimensional gas chromatography (GC×GC) coupled with Orbitrap-technology-based mass spectrometry (MS)-Interest in the identification of bio-fuel composition.

  2020cites this paper
• Derivatization strategy combined with parallel reaction monitoring for the characterization of short-chain fatty acids and their hydroxylated derivatives in mouse.

  2020cites this paper
• First detection of tetrodotoxin and high levels of paralytic shellfish poisoning toxins in shellfish from Sicily (Italy) by three different analytical methods.

  2019cites this paper
• Lipidomic methodologies for biomarkers of chronic inflammation in nutritional research: ω-3 and ω-6 lipid mediators.

  2019cites this paper
• Metabolic Demethylation and Oxidation of Caffeine during Uptake by Lettuce.

  2018cites this paper
• Metabolomics study of regulatory effects of exercise training on db/db type 2 diabetic mice

  2018cites this paper
• Employing proteomics to understand the effects of nutritional intervention in cancer treatment

  2018influential citation
• A review of the pharmaceutical exposome in aquatic fauna

  2018cites this paper
• Bioconcentration and Biotransformation of Amitriptyline in Gilt-Head Bream.

  2017cites this paper
• Imitation of biologically relevant oxidation reactions by titanium dioxide photocatalysis: Advances in understanding the mimicking of drug metabolism and the oxidation of phosphopeptides

  2017cites this paper
• TiO2 Photocatalysis-DESI-MS Rotating Array Platform for High-Throughput Investigation of Oxidation Reactions.

  2017cites this paper
• Synthesis, biological evaluation, and metabolic stability of chlorogenic acid derivatives possessing thiazole as potent inhibitors of α-MSH-stimulated melanogenesis.

  2017cites this paper
• Development of a sensitive and quantitative UHPLC-MS/MS method to study the whole-body uptake of pharmaceuticals in zebrafish.

  2017cites this paper
• The application of a novel high-resolution mass spectrometry-based analytical strategy to rapid metabolite profiling of a dual drug combination in humans.

  2017cites this paper
• Comprehensive Analysis of Acylcarnitine Species in db/db Mouse Using a Novel Method of High-Resolution Parallel Reaction Monitoring Reveals Widespread Metabolic Dysfunction Induced by Diabetes.

  2017cites this paper
• A nontargeted screening method for covalent DNA adducts and DNA modification selectivity using liquid chromatography-tandem mass spectrometry.

  2016cites this paper
• Contaminants in water: non-target UHPLC/MS analysis

  2016cites this paper
• Discovery and identification of serum biomarkers for postmenopausal osteoporosis based on TMT labeling and HPLC-MS / MS technology

  2016cites this paper
• Cryo‐sectioning of mice for whole‐body imaging of drugs and metabolites with desorption electrospray ionization mass spectrometry imaging ‐ a simplified approach

  2016cites this paper
• High-Resolution Mass Spectrometry in Metabolite Identification

  2016cites this paper
• Characterization of fimasartan metabolites in human liver microsomes and human plasma

  2016cites this paper
• Metabolism and bioactivation of the tricyclic antidepressant amitriptyline in human liver microsomes and human urine.

  2016cites this paper
• In vitro methods in the study of reactive drug metabolites with liquid chromatography / mass spectrometry

  2016cites this paper
• Identification of flurochloridone metabolites in rat urine using liquid chromatography/high resolution mass spectrometry.

  2016cites this paper
• A 674 Toni Lassila IN VITRO METHODS IN THE STUDY OF REACTIVE DRUG METABOLITES WITH LIQUID CHROMATOGRAPHY / MASS SPECTROMETRY

  2016cites this paper
• The role of protein oxidation in ageing & disease

  2016cites this paper
• Multiple stage MS in analysis of plasma, serum, urine and in vitro samples relevant to clinical and forensic toxicology.

  2016cites this paper
• Advances in liquid chromatography–high-resolution mass spectrometry for quantitative and qualitative environmental analysis

  2015cites this paper
• Analytical challenges for conducting rapid metabolism characterization for QIVIVE.

  2015cites this paper
• High metabolic in vivo stability and bioavailability of a palmitoylated ghrelin receptor ligand assessed by mass spectrometry.

  2015cites this paper
• Determination of species-difference in microsomal metabolism of amitriptyline using a predictive MRM-IDA-EPI method.

  2015cites this paper
• Cardiovascular drug determination in bioanalysis: an update.

  2015cites this paper
• Real Time Extraction Kinetics of Electro Membrane Extraction Verified by Comparing Drug Metabolism Profiles Obtained from a Flow-Flow Electro Membrane Extraction-Mass Spectrometry System with LC-MS.

  2015cites this paper
• Potential of hyphenated ultra-high performance liquid chromatography-scheduled multiple reaction monitoring algorithm for large-scale quantitative analysis of traditional Chinese medicines

  2015cites this paper
• Understanding MS/MS fragmentation pathways of small molecular weight molecules

  2015cites this paper
• An optimized method for corticosterone analysis in mouse plasma by ultra-performance liquid chromatography-full-scan high-resolution accurate mass spectrometry.

  2015cites this paper
• Detección de sustancias dopantes en orina mediante cromatografía de líquidos/espectrometría de masas de tiempo de vuelo

  2015cites this paper
• Non-target UHPLC/MS Analysis of Emerging Contaminants in Water

  2015cites this paper
• Early Assessment of Exposure of Drug Metabolites in Humans Using Mass Spectrometry

  2014cites this paper
• Validated method for phytohormone quantification in plants

  2014cites this paper
• In situ drug and metabolite analysis [corrected] in biological and clinical research by MALDI MS imaging.

  2014cites this paper
• Rapid and sensitive screening and selective quantification of antibiotics in human urine by two-dimensional ultraperformance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry

  2014cites this paper
• Pharmacokinetics of Quercetin and Other Flavonols Studied by Liquid Chromatography and LC-MS (a Review)

  2014cites this paper
• Comparison of information-dependent acquisition, SWATH, and MS(All) techniques in metabolite identification study employing ultrahigh-performance liquid chromatography-quadrupole time-of-flight mass spectrometry.

  2014cites this paper
• High-resolution MS for drug metabolite identification

  2014cites this paper
• High‐throughput Metabolite Detection and Quantitative–qualitative Bioanalysis

  2014cites this paper
• Coupling ultra-high-pressure liquid chromatography with mass spectrometry for in-vitro drug-metabolism studies

  2014cites this paper
• Development of an advanced molecular profiling pipeline for human population screening

  2014cites this paper
• Identification and elucidation of the structure of in vivo metabolites of diaveridine in chicken.

  2014cites this paper
• Targeted protein identification, quantification and reporting for high-resolution nanoflow targeted peptide monitoring.

  2013cites this paper
• Software aided approaches to structure-based metabolite identification in drug discovery and development.

  2013cites this paper
• The Development and Implementation of LC/MS-Based Bioanalytical Methods for the Quantification of Protein Therapeutics in Drug Discovery

  2013cites this paper
• High-throughput, computer assisted, specific MetID. A revolution for drug discovery.

  2013cites this paper
• Advances in analytical technologies to evaluate the quality of traditional Chinese medicines

  2013cites this paper
• Effect of MS Scan Speed on UPLC Peak Separation and Metabolite Identification : Time-of-Flight HRMS vs . Orbitrap

  2013cites this paper
• Metabolite Identification Using Mass Spectrometry in Drug Development

  2013cites this paper
• Combined data mining strategy for the systematic identification of sport drug metabolites in urine by liquid chromatography time-of-flight mass spectrometry.

  2013cites this paper
• Chapter 4 – High Mass Resolution Versus MS/MS

  2012cites this paper
• Time-of-Flight Mass Spectrometry Versus Orbitrap-Based Mass Spectrometry for the Screening and Identification of Drugs and Metabolites: Is There a Winner?

  2012cites this paper
• Current use of high-resolution mass spectrometry in drug screening relevant to clinical and forensic toxicology and doping control

  2012cites this paper
• Comparison of electrospray ionisation, atmospheric pressure chemical ionisation and atmospheric pressure photoionisation for the identification of metabolites from labile artemisinin-based anti-malarial drugs using a QTRAP® mass spectrometer.

  2012cites this paper
• Analytical Methods for Quantification of Drug Metabolites in Biological Samples

  2012cites this paper
• Chapitre 6 – Méthodes analytiques

  2012cites this paper
• Recent developments in liquid chromatography-mass spectrometry and related techniques.

  2012cites this paper
• Article original / Original article Découverte fortuite d'une intoxication aiguë par vérapamil forme à libération prolongée : intérêt du criblage toxicologique Incidental finding of acute intoxication with sustained-release verapamil: interest of toxicological screening

  2012cites this paper
• An introduction to hybrid ion trap/time-of-flight mass spectrometry coupled with liquid chromatography applied to drug metabolism studies.

  2012cites this paper
• Découverte fortuite d’une intoxication aiguë par vérapamil forme à libération prolongée : intérêt du criblage toxicologique

  2012cites this paper
• Recent advances in metabolite identification and quantitative bioanalysis by LC-Q-TOF MS.

  2012cites this paper
• Metabolite identification of artemether by data-dependent accurate mass spectrometric analysis using an LTQ-Orbitrap hybrid mass spectrometer in combination with the online hydrogen/deuterium exchange technique.

  2011cites this paper
• Recent development in liquid chromatography/mass spectrometry and emerging technologies for metabolite identification.

  2011cites this paper
• Determination of amphetamine-type stimulants, cocaine and ketamine in human hair by liquid chromatography/linear ion trap-Orbitrap hybrid mass spectrometry.

  2011cites this paper
• Rapid identification of phase I and II metabolites of artemisinin antimalarials using LTQ-Orbitrap hybrid mass spectrometer in combination with online hydrogen/deuterium exchange technique.

  2011cites this paper
• Metabolite identification by liquid chromatography-mass spectrometry

  2011cites this paper
• Fragmentation of toxicologically relevant drugs in positive-ion liquid chromatography-tandem mass spectrometry.

  2011cites this paper
• Metabolite identification of triptolide by data-dependent accurate mass spectrometric analysis in combination with online hydrogen/deuterium exchange and multiple data-mining techniques.

  2011cites this paper
• Full-scan high resolution accurate mass spectrometry (HRMS) in regulated bioanalysis: LC-HRMS for the quantitation of prednisone and prednisolone in human plasma.

  2011cites this paper
• Suitability of an orbitrap mass spectrometer for the screening of pesticide residues in extracts of fruits and vegetables.

  2011cites this paper
• Driving efficiency in a high-throughput metabolic stability assay through a generic high-resolution accurate mass method and automated data mining

  2011cites this paper
• Metabolite identification by mass spectrometry: forty years of evolution

  2011cites this paper
• On-chip elektromembranekstraksjon : Ett nytt og effektivt flowsystem med kontinuerlig ekstraksjon av legemidler med påfølgende online-analyse

  2010cites this paper
• Determination of doxazosin and verapamil in human serum by fast LC-MS/MS: application to document non-compliance of patients.

  2010cites this paper
• Lys-N: A versatile enzyme for proteomics

  2010cites this paper