Automated mass spectral deconvolution and identification system for GC-MS screening for drugs, poisons, and metabolites in urine

MR Meyer, FT Peters, HH Maurer - Clinical chemistry, 2010 - academic.oup.com
Background: The challenge in systematic toxicological analysis using gas chromatography
and/or liquid chromatography coupled to mass spectrometry is to identify compounds of …

Systematic forensic toxicological analysis by GC‐MS in serum using automated mass spectral deconvolution and identification system

M Grapp, HH Maurer, H Desel - Drug testing and analysis, 2016 - Wiley Online Library
Non‐targeted screening of body fluids for psychoactive agents is an essential task for
forensic toxicology. The challenge is the identification of xenobiotics of interest from …

Fully-automated systematic toxicological analysis of drugs, poisons, and metabolites in whole blood, urine, and plasma by gas chromatography–full scan mass …

A Polettini, A Groppi, C Vignali, M Montagna - Journal of Chromatography B …, 1998 - Elsevier
The availability of automated, rapid and reliable methods for the systematic toxicological
analysis (STA) of drugs and poisons in biosamples is of great importance in clinical and …

Facilitating high resolution mass spectrometry data processing for screening of environmental water samples: An evaluation of two deconvolution tools

R Bade, A Causanilles, E Emke, L Bijlsma… - Science of the Total …, 2016 - Elsevier
A screening approach was applied to influent and effluent wastewater samples. After
injection in a LC-LTQ-Orbitrap, data analysis was performed using two deconvolution tools …

Extending analysis of environmental pollutants in human urine towards screening for suspected compounds

MM Plassmann, W Brack, M Krauss - Journal of Chromatography A, 2015 - Elsevier
Today there is a large difference in the number of chemicals of commerce and the number of
chemicals being monitored in environmental and human samples. During the last decades …

Role of liquid chromatography–high-resolution mass spectrometry (LC-HR/MS) in clinical toxicology

AH Wu, R Gerona, P Armenian, D French… - Clinical …, 2012 - Taylor & Francis
Background. Gas chromatography (GC) and liquid chromatography (LC) coupled with mass
spectrometry (MS) are widely used to confirm drug screening results and for urine screening …

Gas chromatography/flame ionisation detection mass spectrometry for the detection of endogenous urine metabolites for metabonomic studies and its use as a …

SA Fancy, O Beckonert, G Darbon… - … in mass spectrometry, 2006 - Wiley Online Library
Metabonomics is a relatively new field of research in which the total pool of metabolites in
body fluids or tissues from different patient groups is subjected to comparative analysis …

Optimization and comparison of information-dependent acquisition (IDA) to sequential window acquisition of all theoretical fragment ion spectra (SWATH) for high …

JD Whitman, KL Lynch - Clinical Chemistry, 2019 - academic.oup.com
BACKGROUND Untargeted data acquisition on high-resolution mass spectrometers
(HRMSs) has been used in clinical toxicology for screening and identifying unknown …

Hyphenated mass spectrometric techniques—indispensable tools in clinical and forensic toxicology and in doping control

HH Maurer - Journal of Mass Spectrometry, 2006 - Wiley Online Library
Hyphenated mass spectrometric techniques, particularly gas chromatography/mass
spectrometry (GC/MS) and liquid chromatography/mass spectrometry (LC/MS), are …

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

S Ojanperä, A Pelander, M Pelzing… - … Journal Devoted to …, 2006 - Wiley Online Library
An efficient method was developed for toxicological drug screening in urine by liquid
chromatography coupled with electrospray ionization time‐of‐flight mass spectrometry. The …