Semi‐automated tandem mass spectrometric (MS/MS) triple quadrupole operating parameter optimization for high‐throughput MS/MS detection workflows

Geddes, Kristin; Adamson, Gary E.; Dube, Neal; Crathern, Susan; King, Richard C.

doi:10.1002/rcm.3983

Cited by 13 publications

(4 citation statements)

References 15 publications

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“…, chlorinated compounds). Even though the time for direct infusion ESI-MS analysis can be decreased by implementing microarray ESI technologies [42; 43], the removal of the chlorinated solvent used in lipid extraction is a required step as they are incompatible with the MS vacuum system. In this sense, the DESI-MS analysis has a built-in solvent removal step during sample deposition onto the DESI-probe (glass slide), making its measurement independent of the original sample solvent.…”

Section: Resultsmentioning

confidence: 99%

Analysis of lipids from crude lung tissue extracts by desorption electrospray ionization mass spectrometry and pattern recognition

Basile

Sibray

Belisle

et al. 2011

Analytical Biochemistry

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A method is described using Desorption Electrospray Ionization (DESI) Mass Spectrometry (MS) to obtain phospholipid mass spectral profiles from crude lung tissue extracts. The measured DESI-mass spectral lipid fingerprints were then analyzed by unsupervised learning principal components analysis (PCA). This combined approach was used to differentiate the effect(s) of two vaccination routes on lipid composition in mice lung. Specifically, the two vaccination routes compared were intra-nasal (i.n.) and intra-dermal (i.d.) inoculation of the Francisella tularensis Live Vaccine Strain (Ft-LVS). Lung samples of control and LVS-inoculated mice were quickly extracted with a methanol/chloroform solution and the crude extract directly analyzed by DESI-MS, with a total turnaround time of less than 10 min per sample. All the measured DESI-mass spectra (in both positive and negative ion mode) were compared via PCA which resulted in clear differentiation of mass spectral profiles of i.n.-inoculated mice lung tissues from those of i.d.-inoculated and control mice lung tissues. Lipid biomarkers responsible for sample differentiation were identified via tandem MS (MS/MS) measurements or by comparison with mass spectra of lipid standards. The DESI-MS approach here described provided a practical and rapid means to analyze tissue samples without extensive extractions and solvent changes.

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Section: Resultsmentioning

confidence: 99%

Analysis of lipids from crude lung tissue extracts by desorption electrospray ionization mass spectrometry and pattern recognition

Basile

Sibray

Belisle

et al. 2011

Analytical Biochemistry

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“…LESA involves an adaptation of the TriVersa NanoMate robotic system which provides automated nanoelectrospray infusion of samples dissolved in an aqueous‐organic solvent . Since infusion nanoelectrospray does not provide any chromatographic separation, added selectivity may be obtained by HRMS or MS/MS techniques as described in this work.…”

Section: Methodsmentioning

confidence: 99%

Liquid extraction surface analysis (LESA) of food surfaces employing chip‐based nano‐electrospray mass spectrometry

Eikel¹,

Henion²

2011

Rapid Comm Mass Spectrometry

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An automated surface-sampling technique called liquid extraction surface analysis (LESA), coupled with infusion nano-electrospray high-resolution mass spectrometry and tandem mass spectrometry (MS/MS), is described and applied to the qualitative determination of surface chemical residues resulting from the artificial spraying of selected fresh fruits and vegetables with representative pesticides. Each of the targeted pesticides was readily detected with both high-resolution and full-scan collision-induced dissociation (CID) mass spectra. In the case of simazine and sevin, a mass resolution of 100,000 was insufficient to distinguish the isobaric protonated molecules for these compounds. When the surface of a spinach leaf was analyzed by LESA, trace levels of diazinon were readily detected on the spinach purchased directly from a supermarket before they were sprayed with the five-pesticide mixture. A 30 s rinse under hot running tap water appeared to quantitatively remove all remaining residues of this pesticide. Diazinon was readily detected by LESA analysis on the skin of the artificially sprayed spinach. Finally, incurred pyrimethanil at a level of 169 ppb in a batch slurry of homogenized apples was analyzed by LESA and this pesticide was readily detected by both high-resolution mass spectrometry and full-scan CID mass spectrometry, thus showing that pesticides may also be detected in whole fruit homogenized samples. This report shows that representative pesticides on fruit and vegetable surfaces present at levels 20-fold below generally allowed EPA tolerance levels are readily detected and confirmed by the title technologies making LESA-MS as interesting screening method for food safety purposes.

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“…regarding the analytical part, software tools for ms compound optimization and data processing [8][9][10] were developed to facilitate and speed up analytical processes. although the abovementioned approaches such as uplc 1 or new interfaces 6,7 already speed up sample analysis, both the autosampler and lc part are still the rate-limiting factor of lc/ms/ms analysis.…”

mentioning

confidence: 99%

Application of a Rapid and Integrated Analysis System (RIAS) as a High-Throughput Processing Tool for In Vitro ADME Samples by Liquid Chromatography/Tandem Mass Spectrometry

et al. 2011

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Over the past decade, drug discovery programs have started to address the optimization of key ADME properties already at an early stage of the process. Hence, analytical chemists have been confronted with tremendously rising sample numbers and have had to develop methodologies accelerating quantitative liquid chromatography/tandem mass spectrometry (LC/MS/MS). This article focuses on the application of a generic and fully automated LC/MS/MS, named Rapid and Integrated Analysis System (RIAS), as a high-throughput platform for the rapid quantification of drug-like compounds in various in vitro ADME assays. Previous efforts were dedicated to the setup and feasibility study of a workflow-integrated platform combining a modified high-throughput liquid handling LC/MS/MS system controlled by a customized software interface and a customized data-processing and reporting tool. Herein the authors present an extension of this previously developed basic application to a broad set of ADME screening campaigns, covering CYP inhibition, Caco-2, and PAMPA assays. The platform is capable of switching automatically between various ADME assays, performs MS compound optimization if required, and provides a speed of 8 s from sample to sample, independently of the type of ADME assay. Quantification and peak review are adopted to the high-throughput environment and tested against a standard HPLC-ESI technology.

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Semi‐automated tandem mass spectrometric (MS/MS) triple quadrupole operating parameter optimization for high‐throughput MS/MS detection workflows

Cited by 13 publications

References 15 publications

Analysis of lipids from crude lung tissue extracts by desorption electrospray ionization mass spectrometry and pattern recognition

Analysis of lipids from crude lung tissue extracts by desorption electrospray ionization mass spectrometry and pattern recognition

Liquid extraction surface analysis (LESA) of food surfaces employing chip‐based nano‐electrospray mass spectrometry

Application of a Rapid and Integrated Analysis System (RIAS) as a High-Throughput Processing Tool for In Vitro ADME Samples by Liquid Chromatography/Tandem Mass Spectrometry

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