Doping control using high and ultra-high resolution mass spectrometry based non-targeted metabolomics-a case study of salbutamol and budesonide abuse.
We have detected differences in metabolite levels between doped athletes, clean athletes, and volunteers (non athletes). This outcome is obtained by comparing results of measurements from two analytical platforms: UHPLC-QTOF/MS and FT-ICR/MS. Twenty-seven urine samples tested positive for glucocorticoids or beta-2-agonists and twenty samples coming from volunteers and clean athletes were analyzed with the two different mass spectrometry approaches using both positive and negative electrospray ionization modes. Urine is a highly complex matrix containing thousands of metabolites having different chemical properties and a high dynamic range. We used multivariate analysis techniques to unravel this huge data set. Thus, the several groups we created were studied by Principal Components Analysis (PCA) and Partial Least Square regression (PLS-DA and OPLS) in the search of discriminating m/z values. The selected variables were annotated and placed on pathway by using MassTRIX.
EquipeTRACES, Institut des Sciences Analytiques-UMR, Villeurbanne, France.
Agneta
A
Kiss
Marianna
M
Lucio
Aurélie
A
Fildier
Corinne
C
Buisson
Philippe
P
Schmitt-Kopplin
Cécile
C
Cren-Olivé
D000420:Albuterol / Q000009:adverse effects*; D056352:Athletes; D019819:Budesonide / Q000009:adverse effects*; D002851:Chromatography, High Pressure Liquid; D003401:Creatine / Q000378:metabolism; D017357:Cyclotrons; D004300:Doping in Sports / Q000517:prevention & control*; D005583:Fourier Analysis; D064368:Healthy Volunteers; D006801:Humans; D016018:Least-Squares Analysis; D013058:Mass Spectrometry / Q000379:methods*; D053858:Metabolic Networks and Pathways; D055432:Metabolomics / Q000379:methods*; D025341:Principal Component Analysis; D012263:Ribonucleosides / Q000378:metabolism; D012815:Signal Processing, Computer-Assisted; D021241:Spectrometry, Mass, Electrospray Ionization; D014970:Xanthines
D012263:Ribonucleosides; D014970:Xanthines; D019819:Budesonide; C005893:xanthosine; D003401:Creatine; D000420:Albuterol