Use of benchtop exactive high resolution and high mass accuracy orbitrap mass spectrometer for screening in horse doping control

Moulard, Yves; Bailly-Chouriberry, Ludovic; Boyer, Sophie; Garcia, Patrice; Popot, Marie-Agnès; Bonnaire, Yves

doi:10.1016/j.aca.2011.01.006

Cited by 60 publications

(44 citation statements)

References 26 publications

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“…A wide variety of compounds are now routinely analyzed by Orbitrap-based instruments, typically coupled with UHPLC. The role of Orbitrap-based analysis is growing rapidly in a variety of applications, including those of food safety and environmental analysis (51)(52)(53), metabolite and metabolomics analysis (54)(55)(56)(57)(58)(59)(60), clinical analysis (61)(62)(63), bioanalysis (64,65), doping control (66)(67)(68), and lipidomics (69)(70)(71)(72).…”

Section: Capabilities For Small Molecule Analysesmentioning

confidence: 99%

Evolution of Orbitrap Mass Spectrometry Instrumentation

Eliuk

Makarov²

2015

Annual Rev. Anal. Chem.

377

329

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We discuss the evolution of Orbitrap mass spectrometry (MS) from its birth in the late 1990s to its current role as one of the most prominent techniques for MS. The Orbitrap mass analyzer is the first high-performance mass analyzer that employs trapping of ions in electrostatic fields. Tight integration with the ion injection process enables the high-resolution, mass accuracy, and sensitivity that have become essential for addressing analytical needs in numerous areas of research, as well as in routine analysis. We examine three major families of instruments (related to the LTQ Orbitrap, Q Exactive, and Orbitrap Fusion mass spectrometers) in the context of their historical development over the past ten eventful years. We discuss as well future trends and perspectives of Orbitrap MS. We illustrate the compelling potential of Orbitrap-based mass spectrometers as (ultra) high-resolution platforms, not only for high-end proteomic applications, but also for routine targeted analysis.

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Section: Capabilities For Small Molecule Analysesmentioning

confidence: 99%

Evolution of Orbitrap Mass Spectrometry Instrumentation

Eliuk

Makarov²

2015

Annual Rev. Anal. Chem.

377

329

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“…Soon, other food toxicant domains followed including veterinary drugs [11–16], mycotoxins [17–19], plant toxins [20], marine biotoxins [21], or combinations of these [22, 23]. Similar trends are observed in other application areas such as environmental analysis [24–26], sports doping, clinical, and forensic toxicology [27, 28]. With improvement of the instrumentation in terms of sensitivity, selectivity (resolving power), and dynamic range, the technique is maturing, and the number of applications published is rapidly growing.…”

Section: Introductionmentioning

confidence: 88%

Qualitative aspects and validation of a screening method for pesticides in vegetables and fruits based on liquid chromatography coupled to full scan high resolution (Orbitrap) mass spectrometry

2012

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The analytical capabilities of liquid chromatography with single-stage high-resolution mass spectrometry have been investigated with emphasis on qualitative aspects related to selective detection during screening and to identification. The study involved 21 different vegetable and fruit commodities, a screening database of 556 pesticides for evaluation of false positives, and a test set of 130 pesticides spiked to the commodities at 0.01, 0.05, and 0.20 mg/kg for evaluation of false negatives. The final method involved a QuEChERS-based sample preparation (without dSPE clean up) and full scan acquisition using alternating scan events without/with fragmentation, at a resolving power of 50,000. Analyte detection was based on extraction of the exact mass (±5 ppm) of the major adduct ion at the database retention time ±30 s and the presence of a second diagnostic ion. Various options for the additional ion were investigated and compared (other adduct ions, M + 1 or M + 2 isotopes, fragments). The two-ion approach for selective detection of the pesticides in the full scan data was compared with two alternative approaches based on response thresholds. Using the two-ion approach, the number of false positives out of 11,676 pesticide/commodity combinations targeted was 36 (0.3 %). The percentage of false negatives, assessed for 2,730 pesticide/commodity combinations, was 13 %, 3 %, and 1 % at the 0.01-, 0.05-, and 0.20-mg/kg level, respectively (slightly higher with fully automated detection). Following the SANCO/12495/2011 protocol for validation of screening methods, the screening detection limit was determined for 130 pesticides and found to be 0.01, 0.05, and ≥0.20 mg/kg for 86, 30, and 14 pesticides, respectively. For the detected pesticides in the spiked samples, the ability for unambiguous identification according to EU criteria was evaluated. A proposal for adaption of the criteria was made. Figure Extracted ion chromatograms showing availability of various diagnostic ions after analysis by LC with full scan high resolution MS, enabling selective detection \and identification of pesticides. Example shown: propoxur at 0.01 mg/kg in apple. Electronic supplementary material The online version of this article (doi:10.1007/s00216-012-6100-x) contains supplementary material, which is available to authorized users.

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“…[102] • Over 320 drug targets in a 13-min run performed in positive ESI with a mass resolution of 60,000 and high mass accuracy enhanced by the application of internal lock mass. [120] • Three hundred compounds through a 35-min run by employing continual positive/negative polarity switching with a mass resolution of 50 000.…”

Section: Mass Spectrometric Techniques In the Equine Doping Controlmentioning

confidence: 99%

Challenges in detecting substances for equine anti‐doping

Fragkaki

Kioukia‐Fougia

Kiousi

et al. 2017

Drug Testing and Analysis

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The artificial increase of the physical capability of horses using drugs is well known in racing and other equine sports. Both illicit and therapeutic substances are regarded as prohibited substances in competition in most countries. Some countries make distinctions for a few, specific drugs which are, however, allowed for use in other countries. The primary objective in the case of doping control is the detection of any trace of drug exposure, either parent drug or any of its metabolites, using the most powerful analytical methods which are generally based on chromatographic/mass spectrometric techniques. Of major concern in horseracing is the absence of a single organization regulating the anti-doping framework; instead of this, individual racing authorities provide rules and regulations often resulting in variations in the applied doping control programmes of different countries. The aim of this paper is to review the recent literature (approximately from 2012 to mid-2016) to highlight the numerous and diverse challenges faced in doping control of racing and equestrian sports, including the detection of designer drugs (anabolic steroids or stimulants) and of other emerging prohibited substances, such as peptides and noble gases in horse urine and plasma. Moreover, the application of 'omics' techniques (especially of metabolomics) deserves attention for establishing possible fingerprints of drug abuse as well as the evolution of instrumental analysis resulting a powerful ally in the fight against doping in equine sports.

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Use of benchtop exactive high resolution and high mass accuracy orbitrap mass spectrometer for screening in horse doping control

Cited by 60 publications

References 26 publications

Evolution of Orbitrap Mass Spectrometry Instrumentation

Evolution of Orbitrap Mass Spectrometry Instrumentation

Qualitative aspects and validation of a screening method for pesticides in vegetables and fruits based on liquid chromatography coupled to full scan high resolution (Orbitrap) mass spectrometry

Challenges in detecting substances for equine anti‐doping

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