Accurate and reproducible ion mobility measurements for chemical standard evaluation

Crawford, Christina L.; Hauck, Brian C.; Tufariello, Jessica A.; Harden, Charles S.; McHugh, Vincent M.; Siems, William F.; Hill, Herbert H.

doi:10.1016/j.talanta.2012.09.003

Cited by 43 publications

(39 citation statements)

References 34 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…A few studies provide a more detailed assessment of the combined standard uncertainty (Crawford et al, ; Stow et al, ; Hauck et al, ), based on proper propagation of the standard uncertainties on t , E (Δ V / L) , p and T . The work referenced above also devoted particular care to characterize V , L , p and T and their uncertainties with the appropriate technologies and measurement methods, not just by using instrument settings or read backs and ballpark estimates of the associated errors.…”

Section: Reference Materials For Ion Mobilitymentioning

confidence: 99%

Recommendations for reporting ion mobility Mass Spectrometry measurements

Gabelica

Shvartsburg

Afonso

et al. 2019

Mass Spectrometry Reviews

376

477

View full text Add to dashboard Cite

Here we present a guide to ion mobility mass spectrometry experiments, which covers both linear and nonlinear methods: what is measured, how the measurements are done, and how to report the results, including the uncertainties of mobility and collision cross section values. The guide aims to clarify some possibly confusing concepts, and the reporting recommendations should help researchers, authors and reviewers to contribute comprehensive reports, so that the ion mobility data can be reused more confidently. Starting from the concept of the definition of the measurand, we emphasize that (i) mobility values ( K 0 ) depend intrinsically on ion structure, the nature of the bath gas, temperature, and E / N ; (ii) ion mobility does not measure molecular surfaces directly, but collision cross section (CCS) values are derived from mobility values using a physical model; (iii) methods relying on calibration are empirical (and thus may provide method‐dependent results) only if the gas nature, temperature or E / N cannot match those of the primary method. Our analysis highlights the urgency of a community effort toward establishing primary standards and reference materials for ion mobility, and provides recommendations to do so. © 2019 The Authors. Mass Spectrometry Reviews Published by Wiley Periodicals, Inc.

show abstract

Section: Reference Materials For Ion Mobilitymentioning

confidence: 99%

Recommendations for reporting ion mobility Mass Spectrometry measurements

Gabelica

Shvartsburg

Afonso

et al. 2019

Mass Spectrometry Reviews

376

477

View full text Add to dashboard Cite

show abstract

“…A common IMS mobility standard is 2,4‐lutidine whose K 0 has been demonstrated to be largely affected by moisture that behaves as an SR because it enters the drift tube with the buffer gas. However, this chemical standard is still frequently used for calibration in IMS.…”

Section: Calibration In Ims and Mobility Shifts Produced By Srs Or Comentioning

confidence: 99%

Buffer gas additives (modifiers/shift reagents) in ion mobility spectrometry: Applications, predictions of mobility shifts, and influence of interaction energy and structure

Fernandez‐Maestre

2018

J Mass Spectrom

View full text Add to dashboard Cite

Ion mobility spectrometry (IMS) is an analytical technique used for fast and sensitive detection of illegal substances in customs and airports, diagnosis of diseases through detection of metabolites in breath, fundamental studies in physics and chemistry, space exploration, and many more applications. Ion mobility spectrometry separates ions in the gas-phase drifting under an electric field according to their size to charge ratio. Ion mobility spectrometry disadvantages are false positives that delay transportation, compromise patient's health and other negative issues when IMS is used for detection. To prevent false positives, IMS measures the ion mobilities in 2 different conditions, in pure buffer gas or when shift reagents (SRs) are introduced in this gas, providing 2 different characteristic properties of the ion and increasing the chances of right identification. Mobility shifts with the introduction of SRs in the buffer gas are due to clustering of analyte ions with SRs. Effective SRs are polar volatile compounds with free electron pairs with a tendency to form clusters with the analyte ion. Formation of clusters is favored by formation of stable analyte ion-SR hydrogen bonds, high analytes' proton affinity, and low steric hindrance in the ion charge while stabilization of ion charge by resonance may disfavor it. Inductive effects and the number of adduction sites also affect cluster formation. The prediction of IMS separations of overlapping peaks is important because it simplifies a trial and error procedure. Doping experiments to simplify IMS spectra by changing the ion-analyte reactions forming the so-called alternative reactant ions are not considered in this review and techniques other than drift tube IMS are marginally covered.

show abstract

“…The length of the drift space L could not be measured directly. We determined it indirectly, using the calibration of the ion mobility scale by 2,6‐di‐ tert ‐butylpyridine (Sigma‐Aldrich) as a standard compound with the well‐known reduced mobility of 1.410 (±0.005) cm 2 .V − 1 .s − 1 17,18 . The ion mobility K depends on the drift gas temperature and pressure; for this reason, it is usually normalized to the standard conditions (pressure p 0 = 101.325 kPa and temperature T 0 = 273 K) and this value K 0 is called the reduced ion mobility:

K_{0} = K . ()(, T_{0} / T) . ()(, p / p_{0})

Using Equations and for the 2,6‐di‐ tert ‐butylpyridine standard we are able to determine L and the ion mobilities of unknown substances.…”

Section: Methodsmentioning

confidence: 99%

Study of atmospheric pressure chemical ionization of phthalates in air by ion mobility spectrometry/mass spectrometry

Moravský

Michalczuk

Borkhari

et al. 2021

Rapid Comm Mass Spectrometry

View full text Add to dashboard Cite

Rationale Phthalates are widely used in consumer products in the chemical industries. Due to their abundance in the milieu, their potentially harmful effect on the environment, human and animal health there is a need for sensitive and fast methods for their detection. Methods Positive polarity Corona Discharge Atmospheric Pressure Chemical Ionization (CD‐APCI) in the air was applied for ionization of phthalates. The ionization method for the phthalates was studied by atmospheric pressure Ion Mobility Spectrometry (IMS) and hybrid IMS/orthogonal acceleration Time‐of‐Flight Mass spectrometry (IMS‐oaTOF‐MS). Results CD‐APCI IMS and MS spectra of selected phthalates (dimethyl phthalate, diethyl phthalate, diethyl isophthalate, diethyl terephthalate, dipropyl phthalate, diisopropyl phthalate, dibutyl phthalate, diisobutyl phthalate, and dibutyl terephthalate) were recorded. In the case of the ortho‐ and “iso”‐isomers exclusively the protonated molecular ions [M + H]+ were detected. In the case of the para‐ and meta‐isomers and regioisomers, APCI resulted in the appearance of hydrated protonated molecular ions [M + H]+·(H2O)0,1,2. The ion mobilities, collision cross‐sections of these ions in air, as well as the limits of detection (LODs) for the phthalate vapors, were determined. In the case of isomeric phthalates, we have demonstrated the potential of the IMS technique for their separation. Conclusions The results show that CD‐APCI in combination with IMS and IMS‐oaTOF‐MS is a suitable method for the fast and sensitive detection of phthalates with the potential to separate some isomers.

show abstract

Accurate and reproducible ion mobility measurements for chemical standard evaluation

Cited by 43 publications

References 34 publications

Recommendations for reporting ion mobility Mass Spectrometry measurements

Recommendations for reporting ion mobility Mass Spectrometry measurements

Buffer gas additives (modifiers/shift reagents) in ion mobility spectrometry: Applications, predictions of mobility shifts, and influence of interaction energy and structure

Study of atmospheric pressure chemical ionization of phthalates in air by ion mobility spectrometry/mass spectrometry

Contact Info

Product

Resources

About