Enhanced performance in the determination of ibuprofen 1-β-O-acyl glucuronide in urine by combining high field asymmetric waveform ion mobility spectrometry with liquid chromatography-time-of-flight mass spectrometry

Smith, Robert W.; Toutoungi, Danielle E.; Reynolds, James C.; Bristow, Anthony W. T.; Ray, Andrew; Sage, Ashley; Wilson, Ian D.; Weston, Daniel J.; Boyle, Billy; Creaser, Colin S.

doi:10.1016/j.chroma.2012.12.065

Cited by 17 publications

(23 citation statements)

References 19 publications

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“…We employed FAIMS chips from Owlstone (Cambridge, UK): the early version (I) with g = 35 μm, installed on the Thermo Scientific LTQ ion trap mass spectrometer [35], and current ultraFAIMS (II) with g = 100 μm, coupled to the Agilent 6538 time-of-flight (ToF) MS platform [38]. One difficulty of integrating FAIMS using large He or H 2 fractions with commercial MS instruments is the aspiration of hard-to-evacuate light gases into MS vacuum, where they challenge pumping designed for air.…”

Section: Methodsmentioning

confidence: 99%

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Differential Ion Mobility Separations in up to 100 % Helium Using Microchips

Shvartsburg

Ibrahim

Smith

2014

J. Am. Soc. Mass Spectrom.

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The performance of differential IMS (FAIMS) analyzers is much enhanced by gases comprising He, especially He/N2 mixtures. However, electrical breakdown has limited the He fraction to ~50 %–75 %, depending on the field strength. By the Paschen law, the threshold field for breakdown increases at shorter distances. This allows FAIMS using chips with microscopic channels to utilize much stronger field intensities (E) than “full-size” analyzers with wider gaps. Here we show that those chips can employ higher He fractions up to 100 %. Use of He-rich gases improves the resolution and resolution/sensitivity balance substantially, although less than for full-size analyzers. The optimum He fraction is ~80 %, in line with first-principles theory. Hence, one can now measure the dependences of ion mobility on E in pure He, where ion-molecule cross section calculations are much more tractable than in other gases that form deeper and more complex interaction potentials. This capability may facilitate quantitative modeling of high-field ion mobility behavior and, thus, FAIMS separation properties, which would enable a priori extraction of structural information about the ions.

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Section: Methodsmentioning

confidence: 99%

“…As the FAIMS technology has advanced, the minimum gap width ( g ) has been reduced from ~2 mm to 0.5 mm [31–33] and, recently, to 35 or 100 μm in microchips with multiple channels for concurrent ion processing [34–38]. By the Paschen law [29], the breakdown field for any gas goes up at lower gN .…”

Section: Introductionmentioning

confidence: 99%

Differential Ion Mobility Separations in up to 100 % Helium Using Microchips

Shvartsburg

Ibrahim

Smith

2014

J. Am. Soc. Mass Spectrom.

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“…There was a 10-fold improvement of both mass-selected and drift time-selected chromatogram for the HPLC-IMS-TOF combination over the mass-selected chromatogram when no IMS was used (Figure 4). This can be attributed to the reduction of chemical noise by ion mobility spectrometry though the absolute intensity was reduced [49][50][51]. Two concerns about multidimensional separation with HPLC-IMS-MS are the limit of detection and method of quantification.…”

Section: Sampling Rate Of Hadamard Transform Ion Mobility Spectrometementioning

confidence: 99%

Multidimensional Separation of Natural Products Using Liquid Chromatography Coupled to Hadamard Transform Ion Mobility Mass Spectrometry

Liang

Zhang

Knochenmuss

et al. 2016

J. Am. Soc. Mass Spectrom.

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Abstract. A high performance liquid chromatograph (HPLC)was interfaced to an atmospheric drift tube ion mobility time of flight mass spectrometry. The power of multidimensional separation was demonstrated using chili pepper extracts. The ambient pressure drift tube ion mobility provided high resolving powers up to 166 for the HPLC eluent. With implementation of Hadamard transform (HT), the duty cycle for the ion mobility drift tube was increased from less than 1% to 50%, and the ion transmission efficiency was improved by over 200 times compared with pulsed mode, improving signal to noise ratio 10 times. HT ion mobility and TOF mass spectrometry provide an additional dimension of separation for complex samples without increasing the analysis time compared with conventional HPLC.

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“…Given that LC separations have a timescale of minutes and time-of-flight (TOF) detection occurs in microseconds, IM is easily integrated with its millisecond regime without affecting the timescale of the existing LC-MS/MS method, by adding an extra, orthogonal separation dimension. Relatively few studies have been published on the use of LC-IM-MS/MS so far [33][34][35][36][37][38], but this number is expected to increase considerably in the next years. While retention time (t R ), drift time (t d ) and mass-tocharge (m/z) provide key analytical determinants (e.g.…”

Section: Introductionmentioning

confidence: 99%

Analyzing complex mixtures of drug-like molecules: Ion mobility as an adjunct to existing liquid chromatography-(tandem) mass spectrometry methods

Boschmans

Lemière

Sobott

2017

Journal of Chromatography A

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Please cite this article as: Jasper Boschmans, Filip Lemière, Frank Sobott, Analyzing complex mixtures of drug-like molecules: ion mobility as an adjunct to existing liquid chromatography-(tandem) mass spectrometry methods, Journal of Chromatography A http://dx.doi.org/10. 1016/j.chroma.2017.02.015 This is a PDF Þle of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its Þnal form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. AbstractThe use of traveling wave ion mobility mass spectrometry (TWIMS) is evaluated in conjunction with, and as a possible alternative to, conventional LC-MS(/MS) methods for the separation and characterization of drug-like compounds and metabolites. As a model system we use an in vitro incubation mixture of the chemotherapeutic agent melphalan, which results in more than ten closely related hydrolysis products and chain-like oligomers. Ion mobility as a filtering tool results in the separation of ions of interest from interfering ions, based on charge state and shape/size. Different classes of chemical compounds often display different mobilities even if they show the same LC behavior -thereby providing an orthogonal separation dimension. Small molecules with identical or similar m/z that only differ in shape/size (e.g. isomers and isobars, monomers/dimers) can also be distinguished using ion mobility. Similar to retention times and mass-to-charge ratios, drift times are analyte-dependent and can be used as an additional identifier. We find that the compound melphalan shows two different drift times due to the formation of gas-phase charge isomers (protomers). The occurrence of protomers has important implications for ion mobility characterization of such analytes, and also for the interpretation of their fragmentation behavior (CID) in the gas phase.

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Enhanced performance in the determination of ibuprofen 1-β-O-acyl glucuronide in urine by combining high field asymmetric waveform ion mobility spectrometry with liquid chromatography-time-of-flight mass spectrometry

Cited by 17 publications

References 19 publications

Differential Ion Mobility Separations in up to 100 % Helium Using Microchips

Differential Ion Mobility Separations in up to 100 % Helium Using Microchips

Multidimensional Separation of Natural Products Using Liquid Chromatography Coupled to Hadamard Transform Ion Mobility Mass Spectrometry

Analyzing complex mixtures of drug-like molecules: Ion mobility as an adjunct to existing liquid chromatography-(tandem) mass spectrometry methods

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