1 research outputs found
Untargeted Metabolomics in Doping Control: Detection of New Markers of Testosterone Misuse by Ultrahigh Performance Liquid Chromatography Coupled to High-Resolution Mass Spectrometry
The use of untargeted metabolomics
for the discovery of markers
is a promising and virtually unexplored tool in the doping control
field. Hybrid quadrupole time-of-flight (QTOF) and hybrid quadrupole
Orbitrap (Q Exactive) mass spectrometers, coupled to ultrahigh pressure
liquid chromatography, are excellent tools for this purpose. In the
present work, QTOF and Q Exactive have been used to look for markers
for testosterone cypionate misuse by means of untargeted metabolomics.
Two different groups of urine samples were analyzed, collected before
and after the intramuscular administration of testosterone cypionate.
In order to avoid analyte losses in the sample treatment, samples
were just 2-fold diluted with water and directly injected into the
chromatographic system. Samples were analyzed in both positive and
negative ionization modes. Data from both systems were treated under
untargeted metabolomic strategies using XCMS application and multivariate
analysis. Results from the two mass spectrometers differed in the
number of detected features, but both led to the same potential marker
for the particular testosterone ester misuse. The in-depth study of
the MS and MS/MS behavior of this marker allowed for the establishment
of 1-cyclopentenoylglycine as a feasible structure. The putative structure
was confirmed by comparison with synthesized material. This potential
marker seems to come from the metabolism of the cypionic acid release
after hydrolysis of the administered ester. Its suitability for doping
control has been evaluated