The use of shift reagents in ion mobility-mass spectrometry: Studies on the complexation of an active pharmaceutical ingredient with polyethylene glycol excipients

Howdle, Mark D.; Eckers, Christine; Laures, Alice M.-F.; Creaser, Colin S.

doi:10.1016/j.jasms.2008.10.002

Cited by 56 publications

(39 citation statements)

References 44 publications

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“…The improved resolution was due to mobility shifts in one of the isomeric forms as a result of conformational changes induced by cation adduct formation. Other common approaches to shift the mobility of ions involve the use of mixed carrier gases, shift reagents (SR) and/or changes in temperature of the buffer gas [14][15][16][17].…”

Section: Introductionmentioning

confidence: 99%

Adduct-ion formation in trapped ion mobility spectrometry as a potential tool for studying molecular structures and conformations

Zietek

Mengerink

Jordens

et al. 2017

Int. J. Ion Mobil. Spec.

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Recent developments in the field of ion mobility spectrometry provide new possibilities to explore and understand gas-phase ion chemistry. In this study, hyphenated trapped ion mobility spectrometry-mass spectrometry (TIMS-MS) was applied to investigate analyte ion mobility as function of adduct ion formation for twelve pharmaceutically relevant molecules, and for tetrahydrocannabinol (THC) and its isomer cannabidiol (CBD). Samples were introduced by direct infusion and ions were generated with positive electrospray ionization (ESI+) observing protonated and sodiated ions. Measurements were performed with and without addition of cesium-, lithium-, silver-and sodium ions to the samples. For the tested compounds, metal adduct ions with the same m/z but with different mobility and collision cross section (CCSs) were observed, indicating different molecular conformations. Formation of analyte dimers was also observed, which could be associated with molecular geometry of the compounds. By optimizing the range and speed of the electric field gradient and ramp, respectively, the separation of THC and CBD was achieved by employing the adduct formation. This study demonstrates that the favorable resolution of TIMS combined with the ability to detect weakly bound counter ions is a valuable means for rapid detection, separation and structural assignment of molecular isomers and analyte conformations.

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Section: Introductionmentioning

confidence: 99%

Adduct-ion formation in trapped ion mobility spectrometry as a potential tool for studying molecular structures and conformations

Zietek

Mengerink

Jordens

et al. 2017

Int. J. Ion Mobil. Spec.

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show abstract

“…These shift reagents can form noncovalent complexes with the active pharmaceutical ingredients which move them to different regions of the 2D mobility-mass space. (180) IMS-MS has been applied for the analysis of benzodiazepine drugs (181,182) and a range of over-the-counter and prescription tablets and cream formulations. (183) …”

Section: Pharmaceuticalsmentioning

confidence: 99%

Ion Mobility‐Mass Spectrometry

Jiang

Robinson

2013

Encyclopedia of Analytical Chemistry

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Ion mobility spectrometry (IMS) separates ions based on their mobility in an inert buffer gas in the presence of an electric field. The mobility of ions is based on their size, shape, and charge, thus IMS provides insights into structure. In addition to being used for structural information, IMS can also be used as a separation device for complex mixtures. When coupled with mass spectrometry (MS), IMS–MS offers a powerful hybrid analytical technique that has many biological, pharmaceutical, structural, environmental, and other applications. This article provides an overview of IMS–MS, which focuses on principles of drift‐time ion mobility spectrometry (DTIMS), high‐field‐asymmetric ion mobility spectrometry (FAIMS), and traveling wave ion mobility spectrometry (TWIMS) methods. Several IMS–MS instruments are discussed and examples of the current applications of the technology are provided.

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“…[26] For the detection of drug impurities, ion mobility separations have been used in conjunction with mass spectrometry, the additional dimension offered by ion mobility proving useful in separating active pharmaceutical ingredient ions from excipient ion species such as polyethylene glycols. [27,28,29] Standalone ion mobility has also been used to determine trace impurities in cosmetic intermediates. This approach used thermal desorption to determine the level of a volatile impurity (dimethylaminopropylamine DMAPA) in stearamidopropyldimethylamine which is an intermediate used in the industrial production of cosmetic oils.…”

Section: Introductionmentioning

confidence: 99%

Rapid analysis of N-methylpyrrolidine in cefepime with thermal desorption ion mobility spectrometry

Reynolds

Giddings

Usen

et al. 2016

Int. J. Ion Mobil. Spec.

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The use of shift reagents in ion mobility-mass spectrometry: Studies on the complexation of an active pharmaceutical ingredient with polyethylene glycol excipients

Cited by 56 publications

References 44 publications

Adduct-ion formation in trapped ion mobility spectrometry as a potential tool for studying molecular structures and conformations

Adduct-ion formation in trapped ion mobility spectrometry as a potential tool for studying molecular structures and conformations

Ion Mobility‐Mass Spectrometry

Rapid analysis of N-methylpyrrolidine in cefepime with thermal desorption ion mobility spectrometry

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