Screening and confirmation criteria for hormone residue analysis using liquid chromatography accurate mass time-of-flight, Fourier transform ion cyclotron resonance and orbitrap mass spectrometry techniques

Nielen, Michel W. F.; Engelen, M.C. van; Zuiderent, R.; Ramaker, Raymond

doi:10.1016/j.aca.2006.08.055

Cited by 154 publications

(89 citation statements)

References 16 publications

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“…In addition, the slopes of these plots indicate that the orbitrap resolution will eventually even exceed that of 7, 9.4, and 14.5 T FT-ICR at 1 sec acquisition time at higher m/z values, because of its weaker mass dependence (see Section III.F). Although the measured mass accuracy was worse (compared to <5 ppm for 7.0 T LTQ-FT-ICR and TOF instruments), changes to the injection optics in later instrument designs achieved comparable performance of 2-5 ppm (Hardman & Makarov, 2003;Hu et al, 2005;Makarov et al, 2006a;Nielen et al, 2007). Mass accuracy remains worse than that of magnetic sectors which can routinely achieve 1 ppm accuracies (Bristow, 2006).…”

Section: A Electrostatic Acceleration Lensesmentioning

confidence: 94%

“…So, when unresolved isobaric ions are present in a sample the measured mass in TOF spectra will be an average, thereby reducing the mass accuracy to 10-20 ppm (the minimum required for elemental composition determination of steroids). Experimentally determined mass accuracies for stanozolol standard (i.e., no co-eluting isobaric interferences) at nominal m/z 329 were 12 and 0.4 ppm for the QqTOF and LTQ-FT-ICR, respectively (Nielen et al, 2007). The LTQ-Orbitrap has mass accuracy within 5 ppm (internal and external calibration) at m/z 400 (Makarov et al, 2006a,b;Olsen et al, 2005).…”

Section: B Metabolomicsmentioning

confidence: 99%

“…Such a study was performed by Thevis et al (2005), whose results were later compared to the resolution and mass accuracy obtained using QqTOF and FT-ICR mass spectrometers (Nielen et al, 2007). Nielen et al noted that to distinguish between co-eluting metabolites differing only by one CO, C 2 H 4 , or N 2 substructure would require a theoretical resolving power of 35,700-71, 400 in the 200-400 Da mass range, which is beyond the capabilities of current TOF instruments.…”

Section: B Metabolomicsmentioning

confidence: 99%

“…The LTQOrbitrap has also been used to analyze intact small (3-10 kDa) (Bredehöft, Schänzer, & Thevis, 2008;Thevis et al, 2006a;Thevis, Thomas, & Schänzer, 2008b), medium (10-25 kDa) (Macek et al, 2006;Waanders, Hanke, & Mann, 2007) and large ($150 kDa) (Zhang & Shah, 2007) proteins where the MS n capability of the LIT coupled with the high performance features of the orbitrap can facilitate unambiguous determination of the charge states of fragment ions, as well as identification of PTMs by database searching. The high performance attributes of this hybrid mass spectrometer have also found applications in environmental chemistry (Barceló & Petrovic, 2007;Krauss & Hollender, 2008), drug and metabolite analysis (Breitling, Pitt, & Barrett, 2006;Cuyckens et al, 2008;Ding et al, 2007;Karu et al, 2007;Li et al, 2007a;Lim et al, 2007Lim et al, , 2008Madalinski et al, 2008;Nielen et al, 2007;Peterman et al, 2006;Ruan et al, 2008;Thevis et al, 2005;Thevis, Kamber, & Schänzer, 2006b;Thevis, Krug, & Schänzer, 2006c;Thevis et al, 2006dThevis et al, ,e, 2007aThevis et al, , 2008aZhu et al, 2007), lipidomics (Davis et al, 2008;Ejsing et al, 2006;Schwudke et al, 2007;Silipo et al, 2008), small-molecule (Chen et al, 2007b) and reaction product (Jamin et al, 2007) identification, as well as molecular structure characterization using hydrogen/deuterium exchange measurements (Chen et al, 2007a;...…”

Section: Introductionmentioning

confidence: 99%

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Orbitrap mass spectrometry: Instrumentation, ion motion and applications

Perry

Cooks

Noll

2008

Mass Spectrometry Reviews

402

290

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Since its introduction, the orbitrap has proven to be a robust mass analyzer that can routinely deliver high resolving power and mass accuracy. Unlike conventional ion traps such as the Paul and Penning traps, the orbitrap uses only electrostatic fields to confine and to analyze injected ion populations. In addition, its relatively low cost, simple design and high space‐charge capacity make it suitable for tackling complex scientific problems in which high performance is required. This review begins with a brief account of the set of inventions that led to the orbitrap, followed by a qualitative description of ion capture, ion motion in the trap and modes of detection. Various orbitrap instruments, including the commercially available linear ion trap–orbitrap hybrid mass spectrometers, are also discussed with emphasis on the different methods used to inject ions into the trap. Figures of merit such as resolving power, mass accuracy, dynamic range and sensitivity of each type of instrument are compared. In addition, experimental techniques that allow mass‐selective manipulation of the motion of confined ions and their potential application in tandem mass spectrometry in the orbitrap are described. Finally, some specific applications are reviewed to illustrate the performance and versatility of the orbitrap mass spectrometers. © 2008 Wiley Periodicals, Inc., Mass Spec Rev 27: 661–699, 2008

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Section: A Electrostatic Acceleration Lensesmentioning

confidence: 94%

Section: B Metabolomicsmentioning

confidence: 99%

Section: B Metabolomicsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Orbitrap mass spectrometry: Instrumentation, ion motion and applications

Perry

Cooks

Noll

2008

Mass Spectrometry Reviews

402

290

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show abstract

“…However, the use of narrow mass tolerance windows is only feasible when the mass spectrometer provides sufficient resolving power to discriminate analytes from isobaric co-eluting sample matrix compounds. It was predicted and demonstrated that a medium mass resolving power (Q)TOFMS(/MS) instrument might be critical in this respect [14]. The European Union (EU) recognizes the added value of high mass resolving power instruments for the identification of residues [15].…”

mentioning

confidence: 99%

Full-scan accurate mass selectivity of ultra-performance liquid chromatography combined with time-of-flight and orbitrap mass spectrometry in hormone and veterinary drug residue analysis

Heeft¹,

Bolck²,

Beumer³

et al. 2009

J. Am. Soc. Mass Spectrom.

128

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The applicability of ultra-performance liquid chromatography (UPLC) combined with fullscan accurate mass time-of-flight (TOF) and Orbitrap mass spectrometry (MS) to the analysis of hormone and veterinary drug residues was evaluated. Extracts from blank bovine hair were fortified with 14 steroid esters. UPLC-Orbitrap MS performed at a resolving power of 60,000 (FWHM) enabled the detection and accurate mass measurement (Ͻ3 ppm error) of all 14 steroid esters at low ng/g concentration level, despite the complex matrix background. A 5 ppm mass tolerance window proved to be essential to generate highly selective reconstructed ion chromatograms (RICs) having reduced background from the hair matrix. UPLC-Orbitrap MS at a lower resolving power of 7500 and UPLC-TOFMS at mass resolving power 10,000 failed both to detect all of the steroid esters in hair extracts owing to the inability to mass resolve analyte ions from co-eluting isobaric matrix compounds. In a second application, animal feed extracts were fortified with coccidiostats drugs at levels ranging from 240 to 1900 ng/g. UPLC-Orbitrap MS conducted at a resolving power of 7500 and 60,000 and UPLC-TOFMS detected all of the analytes at the lowest investigated level. Thanks to the higher analyte-to-matrix background ratio, the utilization of very narrow mass tolerance windows in the RIC was not required. This study demonstrates that even when the targeted sample preparation from conventional LC-MS/MS is applied to UPLC with full-scan accurate mass MS, false compliant (false negative) results can be obtained when the mass resolving power of the MS is insufficient to separate analyte ions from isobaric co-eluting sample matrix ions. The current trend towards more generic and less selective sample preparation is expected to aggravate this issue further. (J Am Soc Mass Spectrom 2009, 20, 451-463)

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Pharmaceuticals and Hormones in the Environment

Jones-Lepp

Alvarez²,

Englert

et al. 2009

Encyclopedia of Analytical Chemistry

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Some of the earliest initial reports from Europe and the United States demonstrated that a variety of pharmaceuticals and hormones could be found in surface waters, source waters, drinking water, and influents and effluents from wastewater treatment plants (WWTPs). It is unknown though, at this time, what ecotoxicological effects can be had from pharmaceuticals and hormones that are essentially designed for one purpose (e.g., treatment of human and domestic livestock for illness and disease) and their possible adverse effects on terrestrial wildlife, aquatic organisms, bacteria, and ultimately humans, through unintentional environmental exposure. One of the challenges the analytical chemistry community faces is the development of robust and standardized analytical methods and technologies that can easily be transferred to laboratories worldwide. While today's analysts can detect picograms per liter and nanograms per liter concentrations of numerous pharmaceuticals, hormones, and their metabolites, in a variety of environmental matrices, there are still analytical gaps that are necessary to fill. We hope that this article will add to the body of knowledge of environmental analytical chemistry techniques regarding pharmaceuticals and hormones, giving environmental scientists a good overview of those analytical techniques that are currently available, and where possible, of improvements and new methodologies that can be developed in support of this important, and relevant, environmental issue.

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Screening and confirmation criteria for hormone residue analysis using liquid chromatography accurate mass time-of-flight, Fourier transform ion cyclotron resonance and orbitrap mass spectrometry techniques

Cited by 154 publications

References 16 publications

Orbitrap mass spectrometry: Instrumentation, ion motion and applications

Orbitrap mass spectrometry: Instrumentation, ion motion and applications

Full-scan accurate mass selectivity of ultra-performance liquid chromatography combined with time-of-flight and orbitrap mass spectrometry in hormone and veterinary drug residue analysis

Pharmaceuticals and Hormones in the Environment

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