title: Direct analysis in real time - high resolution mass spectrometry (DART-HRMS): a high throughput strategy for identification and quantification of anabolic steroid esters.
abstract: High throughput screening is essential for doping, forensic, and food safety laboratories. While hyphenated chromatography-mass spectrometry (MS) remains the approach of choice, recent ambient MS techniques, such as direct analysis in real time (DART), offer more rapid and more versatile strategies and thus gain in popularity. In this study, the potential of DART hyphenated with Orbitrap-MS for fast identification and quantification of 21 anabolic steroid esters has been evaluated. Direct analysis in high resolution scan mode allowed steroid esters screening by accurate mass measurement (Resolution = 60 000 and mass error < 3 ppm). Steroid esters identification was further supported by collision-induced dissociation (CID) experiments through the generation of two additional ions. Moreover, the use of labelled internal standards allowed quantitative data to be recovered based on isotopic dilution approach. Linearity (R(2)  > 0.99), dynamic range (from 1 to 1000 ng mL(-1) ), bias (<10%), sensitivity (1 ng mL(-1) ), repeatability and reproducibility (RSD < 20%) were evaluated as similar to those obtained with hyphenated chromatography-mass spectrometry techniques. This innovative high throughput approach was successfully applied for the characterization of oily commercial preparations, and thus fits the needs of the competent authorities in the fight against forbidden or counterfeited substances.
authors.affiliation: LUNAM Université, Oniris, Laboratoire d'Etude des Résidus et Contaminants dans les Aliments (LABERCA), Atlanpole-La-Chantrerie, CS 50707, Nantes, F-44307, France.
authors.forename: Mickael
authors.identifier: http://orcid.org/0000-0002-6274-1838
authors.initials: M
authors.lastname: Doué
authors.affiliation: LUNAM Université, Oniris, Laboratoire d'Etude des Résidus et Contaminants dans les Aliments (LABERCA), Atlanpole-La-Chantrerie, CS 50707, Nantes, F-44307, France.
authors.forename: Gaud
authors.initials: G
authors.lastname: Dervilly-Pinel
authors.affiliation: LUNAM Université, Oniris, Laboratoire d'Etude des Résidus et Contaminants dans les Aliments (LABERCA), Atlanpole-La-Chantrerie, CS 50707, Nantes, F-44307, France.
authors.forename: Karinne
authors.initials: K
authors.lastname: Pouponneau
authors.affiliation: LUNAM Université, Oniris, Laboratoire d'Etude des Résidus et Contaminants dans les Aliments (LABERCA), Atlanpole-La-Chantrerie, CS 50707, Nantes, F-44307, France.
authors.forename: Fabrice
authors.initials: F
authors.lastname: Monteau
authors.affiliation: LUNAM Université, Oniris, Laboratoire d'Etude des Résidus et Contaminants dans les Aliments (LABERCA), Atlanpole-La-Chantrerie, CS 50707, Nantes, F-44307, France.
authors.forename: Bruno
authors.initials: B
authors.lastname: Le Bizec
mesh_terms: D045930:Anabolic Agents / Q000032:analysis*; D002851:Chromatography, High Pressure Liquid / Q000379:methods; D003199:Computer Systems; D004300:Doping in Sports; D004952:Esters / Q000032:analysis; D013256:Steroids / Q000032:analysis*; D015813:Substance Abuse Detection / Q000295:instrumentation / Q000379:methods*
chemical_list: D045930:Anabolic Agents; D004952:Esters; D013256:Steroids
keywords: anabolic steroid esters; automation; direct analysis in real time; high resolution mass spectrometry; high throughput; screening method