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

MSM, an Efficient Workflow for Metabolite Identification Using Hybrid Linear Ion Trap Orbitrap Mass Spectrometer

(2012) Robert Cho et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Update on hydrocodone metabolites in rats and dogs aided with a semi-automatic software for metabolite identification Mass-MetaSite

(2012) Austin C. Li et al.   XENOBIOTICA

The emergence of high-resolution MS as the premier analytical tool in the pharmaceutical bioanalysis arena

(2012) Ragu Ramanathan et al.   Bioanalysis

Integrated quantitative and qualitative workflow forin vivobioanalytical support in drug discovery using hybrid Q-TOF-MS

(2012) Asoka Ranasinghe et al.   Bioanalysis

Using high-resolution quadrupole TOF technology in DMPK analyses

(2012) J Larry Campbell et al.   Bioanalysis

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

(2012) Cen Xie et al.   Bioanalysis

High-resolution mass spectrometry for integrated qualitative and quantitative analysis of pharmaceuticals in biological matrices

(2011) Gérard Hopfgartner et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

Performance Characteristics of a New Hybrid Quadrupole Time-of-Flight Tandem Mass Spectrometer (TripleTOF 5600)

(2011) Genna L. Andrews et al.   ANALYTICAL CHEMISTRY

Enhanced Screening of Glutathione-Trapped Reactive Metabolites by In-Source Collision-Induced Dissociation and Extraction of Product Ion Using UHPLC-High Resolution Mass Spectrometry

(2011) Xiaochun Zhu et al.   ANALYTICAL CHEMISTRY

Drug Metabolite Profiling and Identification by High-resolution Mass Spectrometry

(2011) Mingshe Zhu et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

High-resolution mass spectrometry will dramatically change our drug-discovery bioanalysis procedures

(2011) Walter Korfmacher   Bioanalysis

Determination of Exposure Multiples of Human Metabolites for MIST Assessment in Preclinical Safety Species without Using Reference Standards or Radiolabeled Compounds

(2010) Shuguang Ma et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Identification of Two Novel Metabolites of SCH 486757, a Nociceptin/Orphanin FQ Peptide Receptor Agonist, in Humans

(2010) N. A. Penner et al.   DRUG METABOLISM AND DISPOSITION

Enhanced metabolite identification with MSE and a semi-automated software for structural elucidation

(2010) Britta Bonn et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Algorithm for Thorough Background Subtraction of High-Resolution LC/MS Data: Application to Obtain Clean Product Ion Spectra from Nonselective Collision-Induced Dissociation Experiments

(2009) Haiying Zhang et al.   ANALYTICAL CHEMISTRY

An Accurate-Mass-Based Spectral-Averaging Isotope-Pattern-Filtering Algorithm for Extraction of Drug Metabolites Possessing a Distinct Isotope Pattern from LC-MS Data

(2009) Peijuan Zhu et al.   ANALYTICAL CHEMISTRY

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

(2009) Haiying Zhang et al.   JOURNAL OF MASS SPECTROMETRY

Quantitative-qualitative data acquisition using a benchtop orbitrap mass spectrometer

(2009) Kevin P. Bateman et al.   JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY

Two-injection workflow for a liquid chromatography/LTQ-Orbitrap system to completein vivobiotransformation characterization: demonstration with buspirone metabolite identification

(2009) Austin C. Li et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

In silicomethods for predicting metabolism and mass fragmentation applied to quetiapine in liquid chromatography/time-of-flight mass spectrometry urine drug screening

(2009) Anna Pelander et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

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

(2009) Peijuan Zhu et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

Rapid Screening of Glutathione-Trapped Reactive Metabolites by Linear Ion Trap Mass Spectrometry with Isotope Pattern-Dependent Scanning and Postacquisition Data Mining

(2008) Li Ma et al.   CHEMICAL RESEARCH IN TOXICOLOGY

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

(2008) Haiying Zhang et al.   JOURNAL OF MASS SPECTROMETRY

Orbitrap mass spectrometry: Instrumentation, ion motion and applications

(2008) Richard H. Perry et al.   MASS SPECTROMETRY REVIEWS

A generic method to detect electrophilic intermediates using isotopic pattern triggered data-dependent high-resolution accurate mass spectrometry

(2008) Heng-Keang Lim et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

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

(2008) Philip R. Tiller et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

FiD: a software forab initiostructural identification of product ions from tandem mass spectrometric data

(2008) Markus Heinonen et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

IsoScore: automated localization of biotransformations by mass spectrometry using product ion scoring of virtual regioisomers

(2008) Laurent Leclercq et al.   RAPID COMMUNICATIONS IN MASS SPECTROMETRY

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

(2007) Qian Ruan et al.   JOURNAL OF MASS SPECTROMETRY