Introduction of HPLC/orbitrap mass spectrometry as screening method for doping control

Virus, Edward Danielevich; Sobolevsky, Tim; Rodchenkov, G. M.

doi:10.1002/jms.1447

Cited by 69 publications

(32 citation statements)

References 17 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.

359

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.

359

329

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“…Compound identification was based on retention time, accurate mass, and fragmentation patterns in in-source CID (Lee et al, 2009). Only limited results have been reported for STA using an orbitrap high-resolution MS instrument (Virus, Sobolevsky, & Rodchenkov, 2008). A next step in the development of LC-MS approaches in STA is the use of an MS-MS library containing accurate-mass data, developed on an Agilent Technologies Q-TOF MS instrument (Pragst et al, 2010;Broecker et al, in press).…”

Section: Systematic Toxicological Screeningmentioning

confidence: 99%

Fragmentation of toxicologically relevant drugs in positive‐ion liquid chromatography–tandem mass spectrometry

Niessen¹

2011

Mass Spectrometry Reviews

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The identification of drugs and related compounds by LC-MS-MS is an important analytical challenge in several application areas, including clinical and forensic toxicology, doping control analysis, and environmental analysis. Although target-compound based analytical strategies are most frequently applied, at some point the information content of the MS-MS spectra becomes relevant. In this article, the positive-ion MS-MS spectra of a wide variety of drugs and related substances are discussed. Starting point was an MS-MS mass spectral library of toxicologically relevant compounds, available on the internet. The positive-ion MS-MS spectra of ∼570 compounds were interpreted by chemical and therapeutic class, thus involving a wide variety of drug compound classes, such benzodiazepines, beta-blockers, angiotensin-converting enzyme inhibitors, phenothiazines, dihydropyridine calcium channel blockers, diuretics, local anesthetics, vasodilators, as well as various subclasses of anti-diabetic, antidepressant, analgesic, and antihistaminic drugs. In addition, the scientific literature was searched for available MS-MS data of these compound classes and the interpretation thereof. The results of this elaborate study are presented in this article. For each individual compound class, the emphasis is on class-specific fragmentation, as discussing fragmentation of all individual compounds would take far too much space. The recognition of class-specific fragmentation may be quite informative in determining the compound class of a specific unknown, which may further help in the identification. In addition, knowledge on (class-specific) fragmentation may further help in the optimization of the selectivity in targeted analytical approaches of compounds of one particular class.

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“…Nowadays, liquid chromatography combined with high resolution mass spectrometry plays essential role in test methods. Liquid chromatography-orbitrap mass spectrometry (LC-MS Orbitrap) has become a widely used platform for drug metabolism, toxicology, food safety, environmental analysis and clinical research applications [3][4][5][6]. Although its great mass accuracy, sensitivity and high resolving power are very helpful in the precise identification of compounds by LC-MS Orbitrap, using reference standards are still required for mass spectral and retention time matching [7].…”

Section: Introductionmentioning

confidence: 99%