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Determination of selected endogenous anabolic androgenic steroids and ratios in urine by ultra high performance liquid chromatography tandem mass spectrometry and isotope pattern deconvolution
(Elsevier, 2017-09)
An isotope dilution mass spectrometry (IDMS) method for the determination of selected endogenous anabolic androgenic steroids (EAAS) in urine by UHPLC–MS/MS has been developed using the isotope pattern deconvolution (IPD) ...
Identification and characterization of a putative new psychoactive substance, 2-(2-(4-chlorophenyl)acetamido)- 3-methylbutanamide, in Spain
(Wiley, 2017-02-28)
The term ‘new psychoactive substances’ (NPS) refers to
synthetically changed natural compounds or newly designed
compounds intended to elicit a psychotropic response such as
stimulation, hallucination or sedation.
According ...
Prediction of Collision Cross-Section Values for Small Molecules: Application to Pesticide Residue Analysis
(2017)
The use of collision cross-section (CCS) values obtained by ion mobility high-resolution mass spectrometry has added a third dimension (alongside retention time and exact mass) to aid in the identification of compounds. ...
Novel sampling strategy for alive animal volatolome extraction combined with GC-MS based untargeted metabolomics: Identifying mouse pup pheromones
(Elsevier, 2021-08-04)
In this study, we identify 11 mouse pup volatiles putatively involved in maternal care induction in adult females. For this purpose, we have adapted the dynamic headspace methodology to extract the volatolome of whole alive ...
LC-IMS-HRMS for identification of biomarkers in untargeted metabolomics: The effects of pterostilbene and resveratrol consumption in liver steatosis, animal model
(Elsevier, 2023)
Untargeted metabolomics with the combination of ion mobility separation coupled to high resolution mass spectrometry (IMS-HRMS) was applied to investigate the impact of resveratrol and pterostilbene supplementation on the ...
Untargeted metabolomics based on ultra-high-performance liquid chromatography-ion mobility-quadrupole time-of-flight mass spectrometry for biomarker discovery of orange intake in a cross-over trial
(Gordon Research Conferences, 2019-02-03)
Diet is one of the most important lifestyle factors associated with health status. Currently, one of the main limitations of nutritional epidemiology and nutritional genomics is the difficulty in the measurements of dietary ...
Proposal of 5-methoxy-N-methyl-N-isopropyltryptamine consumption biomarkers through identification of in vivo metabolites from mice
(Elsevier, 2017-07)
New psychoactive substances (NPS) are a new breed of synthetically produced substances designed to mimic the effects of traditional illegal drugs. Synthetic cannabinoids and synthetic cathinones are the two most common ...
Evaluation of uncertainty sources in the determination of testosterone in urine by calibration-based and isotope dilution quantification using ultra high performance liquid chromatography tandem mass spectrometry
(Elsevier, 2017-06)
Three quantification methodologies, namely calibration with internal standard (Cal-IS, non-weighted), weighted calibration with internal standard (wCal-IS) and isotope pattern deconvolution (IPD) have been used for the ...
Development of a Retention Time Interpolation scale (RTi) for liquid chromatography coupled to mass spectrometry in both positive and negative ionization modes
(Elsevier, 2018-07)
The accuracy and sensitivity of high resolution mass spectrometry (HRMS) enables the identification of candidate compounds with the use of mass spectrometric databases among other tools. However, retention time (RT) data ...
Building an empirical mass spectra library for screening of organic pollutants by ultra-high-pressure liquid chromatography/hybrid quadrupole time-of-flight mass spectrometry
(John Wiley, 2011-01-30)
Hybrid quadrupole time-of-flight mass spectrometry (QTOF MS) has gained wide acceptance in many fields of chemistry, for example, proteomics, metabolomics and small molecule analysis. This has been due to the numerous ...