Sliding Windows in Ion Mobility (SWIM): A New Approach to Increase the Resolving Power in Trapped Ion Mobility-Mass Spectrometry Hyphenated with Chromatography.
Muller, Hugo; Scholl, Georges; Far, Johannet al.
2023 • In Analytical Chemistry, 95 (48), p. 17586 - 17594
Ion Mobility; Ion mobility-mass spectrometry; Trapped ion mobility; TIMS; Gas chromatography; POPs
Abstract :
[en] Over the past decade, the separation efficiency achieved by linear IMS instruments has increased substantially, with state-of-the-art IM technologies, such as the trapped ion mobility (TIMS), the cyclic traveling wave ion mobility (cTWIMS), and the structure for lossless ion manipulation (SLIM) platforms commonly demonstrating resolving powers in excess of 200. However, for complex sample analysis that require front end separation, the achievement of such high resolving power in TIMS is significantly hampered, since the ion mobility range must be broad enough to analyze all the classes of compounds of interest, whereas the IM analysis time must be short enough to cope with the time scale of the preseparation technique employed. In this paper, we introduce the concept of sliding windows in ion mobility (SWIM) for chromatography hyphenated TIMS applications that bypasses the need to use a wide and fixed IM range by using instead narrow and mobile ion mobility windows that adapt to the analytes' ion mobility during chromatographic separation. GC-TIMS-MS analysis of a mixture of 174 standards from several halogenated persistent organic pollutant (POP) classes, including chlorinated and brominated dioxins, biphenyls, and PBDEs, demonstrated that the average IM resolving power could be increased up to 40% when the SWIM mode was used, thereby greatly increasing the method selectivity for the analysis of complex samples.
Research center :
MolSys - Molecular Systems - ULiège [BE]
Disciplines :
Chemistry
Author, co-author :
Muller, Hugo ; Université de Liège - ULiège > Molecular Systems (MolSys)
Scholl, Georges ; Université de Liège - ULiège > Département de chimie (sciences) > Center for Analytical Research and Technology (CART)
Far, Johann ; Université de Liège - ULiège > Département de chimie (sciences) > Chimie analytique inorganique
De Pauw, Edwin ; Université de Liège - ULiège > Département de chimie (sciences)
Eppe, Gauthier ; Université de Liège - ULiège > Département de chimie (sciences) > Laboratoire de spectrométrie de masse (L.S.M.)
Language :
English
Title :
Sliding Windows in Ion Mobility (SWIM): A New Approach to Increase the Resolving Power in Trapped Ion Mobility-Mass Spectrometry Hyphenated with Chromatography.
FRIA - Fund for Research Training in Industry and Agriculture [BE]
Funding text :
This publication was supported by the French Community of Belgium through the funding of a FRIA grant (FC 47331). The authors also thank Bruker for their support and the Belgian Federal Public Service of Health, Food Chain Safety and Environment through the contract RT22/06 TEQFOOD.
Jones, K. C.; de Voogt, P. Persistent Organic Pollutants (POPs): State of the Science. Environ. Pollut. 1999, 100 ( 1-3), 209- 221, 10.1016/S0269-7491(99)00098-6
Listing of POPs in the Stockholm Convention. http://www.pops.int/TheConvention/ThePOPs/AllPOPs/tabid/2509/Default.aspx (accessed 2023-05-08).
Muir, D. C. G.; Howard, P. H. Are There Other Persistent Organic Pollutants? A Challenge for Environmental Chemists. Environ. Sci. Technol. 2006, 40 ( 23), 7157- 7166, 10.1021/es061677a
Kumar, A. R.; Singh, I.; Ambekar, K.; Kumar, A. R.; Singh, I.; Ambekar, K. Distribution, and Fate of Emerging Persistent Organic Pollutants in the Environment. In Management of Contaminants of Emerging Concern (CEC) in Environment; Elsevier 2021 1 69 10.1016/B978-0-12-822263-8.00001-4.
Ayala-Cabrera, J. F.; Santos, F. J.; Moyano, E. Recent Advances in Analytical Methodologies Based on Mass Spectrometry for the Environmental Analysis of Halogenated Organic Contaminants. Trends in Environmental Analytical Chemistry 2021, 30, e00122 10.1016/j.teac.2021.e00122
Focant, J.-F.; Sjödin, A.; Patterson, D. G. Qualitative Evaluation of Thermal Desorption-Programmable Temperature Vaporization-Comprehensive Two-Dimensional Gas Chromatography-Time-of-Flight Mass Spectrometry for the Analysis of Selected Halogenated Contaminants. Journal of Chromatography A 2003, 1019 ( 1-2), 143- 156, 10.1016/j.chroma.2003.07.007
Muscalu, A. M.; Górecki, T. Comprehensive Two-Dimensional Gas Chromatography in Environmental Analysis. TrAC Trends in Analytical Chemistry 2018, 106, 225- 245, 10.1016/j.trac.2018.07.001
Hernández, F.; Sancho, J. V.; Ibáñez, M.; Abad, E.; Portolés, T.; Mattioli, L. Current Use of High-Resolution Mass Spectrometry in the Environmental Sciences. Anal Bioanal Chem. 2012, 403 ( 5), 1251- 1264, 10.1007/s00216-012-5844-7
Hernández, F.; Portolés, T.; Pitarch, E.; López, F. J. Gas Chromatography Coupled to High-Resolution Time-of-Flight Mass Spectrometry to Analyze Trace-Level Organic Compounds in the Environment, Food Safety and Toxicology. TrAC Trends in Analytical Chemistry 2011, 30 ( 2), 388- 400, 10.1016/j.trac.2010.11.007
Li, X.; Dorman, F. L.; Helm, P. A.; Kleywegt, S.; Simpson, A.; Simpson, M. J.; Jobst, K. J. Nontargeted Screening Using Gas Chromatography-Atmospheric Pressure Ionization Mass Spectrometry: Recent Trends and Emerging Potential.. Molecules 2021, 26 ( 22), 6911, 10.3390/molecules26226911
Ross, D. H.; Xu, L. Determination of Drugs and Drug Metabolites by Ion Mobility-Mass Spectrometry: A Review. Anal. Chim. Acta 2021, 1154, 338270 10.1016/j.aca.2021.338270
Metz, T. O.; Baker, E. S.; Schymanski, E. L.; Renslow, R. S.; Thomas, D. G.; Causon, T. J.; Webb, I. K.; Hann, S.; Smith, R. D.; Teeguarden, J. G. Integrating Ion Mobility Spectrometry into Mass Spectrometry-Based Exposome Measurements: What Can It Add and How Far Can It Go?. Bioanalysis 2017, 9 ( 1), 81- 98, 10.4155/bio-2016-0244
Paglia, G.; Smith, A. J.; Astarita, G. Ion Mobility Mass Spectrometry in the Omics Era: Challenges and Opportunities for Metabolomics and Lipidomics. Mass Spectrom. Rev. 2022, 41 ( 5), 722- 765, 10.1002/mas.21686
Gabelica, V. CHAPTER 1. Ion Mobility-Mass Spectrometry: An Overview. In New Developments in Mass Spectrometry; Ashcroft, A. E., Sobott, F., Eds.; Royal Society of Chemistry: Cambridge, 2021; pp 1- 25. 10.1039/9781839162886-00001.
Izquierdo-Sandoval, D.; Fabregat-Safont, D.; Lacalle-Bergeron, L.; Sancho, J. V.; Hernández, F.; Portoles, T. Benefits of Ion Mobility Separation in GC-APCI-HRMS Screening: From the Construction of a CCS Library to the Application to Real-World Samples. Anal. Chem. 2022, 94 ( 25), 9040- 9047, 10.1021/acs.analchem.2c01118
Celma, A.; Sancho, J. V.; Schymanski, E. L.; Fabregat-Safont, D.; Ibáñez, M.; Goshawk, J.; Barknowitz, G.; Hernández, F.; Bijlsma, L. Improving Target and Suspect Screening High-Resolution Mass Spectrometry Workflows in Environmental Analysis by Ion Mobility Separation. Environ. Sci. Technol. 2020, 54 ( 23), 15120- 15131, 10.1021/acs.est.0c05713
Regueiro, J.; Negreira, N.; Berntssen, M. H. G. Ion-Mobility-Derived Collision Cross Section as an Additional Identification Point for Multiresidue Screening of Pesticides in Fish Feed. Anal. Chem. 2016, 88 ( 22), 11169- 11177, 10.1021/acs.analchem.6b03381
Celma, A.; Ahrens, L.; Gago-Ferrero, P.; Hernández, F.; López, F.; Lundqvist, J.; Pitarch, E.; Sancho, J. V.; Wiberg, K.; Bijlsma, L. The Relevant Role of Ion Mobility Separation in LC-HRMS Based Screening Strategies for Contaminants of Emerging Concern in the Aquatic Environment. Chemosphere 2021, 280, 130799 10.1016/j.chemosphere.2021.130799
Foster, M.; Rainey, M.; Watson, C.; Dodds, J. N.; Kirkwood, K. I.; Fernández, F. M.; Baker, E. S. Uncovering PFAS and Other Xenobiotics in the Dark Metabolome Using Ion Mobility Spectrometry, Mass Defect Analysis, and Machine Learning. Environ. Sci. Technol. 2022, 56 ( 12), 9133- 9143, 10.1021/acs.est.2c00201
Kirk, A. T.; Bohnhorst, A.; Raddatz, C.-R.; Allers, M.; Zimmermann, S. Ultra-High-Resolution Ion Mobility Spectrometry─Current Instrumentation, Limitations, and Future Developments. Anal Bioanal Chem. 2019, 411 ( 24), 6229- 6246, 10.1007/s00216-019-01807-0
Delafield, D. G.; Lu, G.; Kaminsky, C. J.; Li, L. High-End Ion Mobility Mass Spectrometry: A Current Review of Analytical Capacity in Omics Applications and Structural Investigations. TrAC Trends in Analytical Chemistry 2022, 157, 116761 10.1016/j.trac.2022.116761
Dodds, J. N.; May, J. C.; McLean, J. A. Investigation of the Complete Suite of the Leucine and Isoleucine Isomers: Toward Prediction of Ion Mobility Separation Capabilities. Anal. Chem. 2017, 89 ( 1), 952- 959, 10.1021/acs.analchem.6b04171
Ridgeway, M. E.; Lubeck, M.; Jordens, J.; Mann, M.; Park, M. A. Trapped Ion Mobility Spectrometry: A Short Review. Int. J. Mass Spectrom. 2018, 425, 22- 35, 10.1016/j.ijms.2018.01.006
Giles, K.; Ujma, J.; Wildgoose, J.; Pringle, S.; Richardson, K.; Langridge, D.; Green, M. A Cyclic Ion Mobility-Mass Spectrometry System. Anal. Chem. 2019, 91 ( 13), 8564- 8573, 10.1021/acs.analchem.9b01838
Garimella, S. V. B.; Nagy, G.; Ibrahim, Y. M.; Smith, R. D. Opening New Paths for Biological Applications of Ion Mobility - Mass Spectrometry Using Structures for Lossless Ion Manipulations. TrAC Trends in Analytical Chemistry 2019, 116, 300- 307, 10.1016/j.trac.2019.04.021
Larriba-Andaluz, C.; Prell, J. S. Fundamentals of Ion Mobility in the Free Molecular Regime. Interlacing the Past, Present and Future of Ion Mobility Calculations. Int. Rev. Phys. Chem. 2020, 39 ( 4), 569- 623, 10.1080/0144235X.2020.1826708
Adams, K. J.; Montero, D.; Aga, D.; Fernandez-Lima, F. Isomer Separation of Polybrominated Diphenyl Ether Metabolites Using nanoESI-TIMS-MS. Int. J. Ion Mobil. Spec. 2016, 19 ( 2-3), 69- 76, 10.1007/s12127-016-0198-z
Adams, K. J.; Smith, N. F.; Ramirez, C. E.; Fernandez-Lima, F. Discovery and Targeted Monitoring of Polychlorinated Biphenyl Metabolites in Blood Plasma Using LC-TIMS-TOF MS. Int. J. Mass Spectrom. 2018, 427, 133- 140, 10.1016/j.ijms.2017.11.009
Adams, K. J.; Ramirez, C. E.; Smith, N. F.; Muñoz-Muñoz, A. C.; Andrade, L.; Fernandez-Lima, F. Analysis of Isomeric Opioids in Urine Using LC-TIMS-TOF MS. Talanta 2018, 183, 177- 183, 10.1016/j.talanta.2018.02.077
Jeanne Dit Fouque, K.; Ramirez, C. E.; Lewis, R. L.; Koelmel, J. P.; Garrett, T. J.; Yost, R. A.; Fernandez-Lima, F. Effective Liquid Chromatography-Trapped Ion Mobility Spectrometry-Mass Spectrometry Separation of Isomeric Lipid Species. Anal. Chem. 2019, 91 ( 8), 5021- 5027, 10.1021/acs.analchem.8b04979
Olanrewaju, C. A.; Ramirez, C. E.; Fernandez-Lima, F. Comprehensive Screening of Polycyclic Aromatic Hydrocarbons and Similar Compounds Using GC-APLI-TIMS-TOFMS/GC-EI-MS. Anal. Chem. 2021, 93 ( 15), 6080- 6087, 10.1021/acs.analchem.0c04525
Dodds, J. N.; May, J. C.; McLean, J. A. Investigation of the Complete Suite of the Leucine and Isoleucine Isomers: Toward Prediction of Ion Mobility Separation Capabilities. Anal. Chem. 2017, 89 ( 1), 952- 959, 10.1021/acs.analchem.6b04171
Zheng, X.; Dupuis, K. T.; Aly, N. A.; Zhou, Y.; Smith, F. B.; Tang, K.; Smith, R. D.; Baker, E. S. Utilizing Ion Mobility Spectrometry and Mass Spectrometry for the Analysis of Polycyclic Aromatic Hydrocarbons, Polychlorinated Biphenyls, Polybrominated Diphenyl Ethers and Their Metabolites. Anal. Chim. Acta 2018, 1037, 265- 273, 10.1016/j.aca.2018.02.054
Wu, Q.; Wang, J.-Y.; Han, D.-Q.; Yao, Z.-P. Recent Advances in Differentiation of Isomers by Ion Mobility Mass Spectrometry. TrAC Trends in Analytical Chemistry 2020, 124, 115801 10.1016/j.trac.2019.115801
Dodds, J. N.; Hopkins, Z. R.; Knappe, D. R. U.; Baker, E. S. Rapid Characterization of Per- and Polyfluoroalkyl Substances (PFAS) by Ion Mobility Spectrometry-Mass Spectrometry (IMS-MS). Anal. Chem. 2020, 92 ( 6), 4427- 4435, 10.1021/acs.analchem.9b05364
Causon, T. J.; Hann, S. Theoretical Evaluation of Peak Capacity Improvements by Use of Liquid Chromatography Combined with Drift Tube Ion Mobility-Mass Spectrometry. Journal of Chromatography A 2015, 1416, 47- 56, 10.1016/j.chroma.2015.09.009
MacNeil, A.; Li, X.; Amiri, R.; Muir, D. C. G.; Simpson, A.; Simpson, M. J.; Dorman, F. L.; Jobst, K. J. Gas Chromatography-(Cyclic) Ion Mobility Mass Spectrometry: A Novel Platform for the Discovery of Unknown Per-/Polyfluoroalkyl Substances. Anal. Chem. 2022, 94 ( 31), 11096- 11103, 10.1021/acs.analchem.2c02325
Aly, N. A.; Dodds, J. N.; Luo, Y.-S.; Grimm, F. A.; Foster, M.; Rusyn, I.; Baker, E. S. Utilizing Ion Mobility Spectrometry-Mass Spectrometry for the Characterization and Detection of Persistent Organic Pollutants and Their Metabolites. Anal Bioanal Chem. 2022, 414 ( 3), 1245- 1258, 10.1007/s00216-021-03686-w
Mullin, L.; Jobst, K.; DiLorenzo, R. A.; Plumb, R.; Reiner, E. J.; Yeung, L. W. Y.; Jogsten, I. E. Liquid Chromatography-Ion Mobility-High Resolution Mass Spectrometry for Analysis of Pollutants in Indoor Dust: Identification and Predictive Capabilities. Anal. Chim. Acta 2020, 1125, 29- 40, 10.1016/j.aca.2020.05.052
Goscinny, S.; Joly, L.; De Pauw, E.; Hanot, V.; Eppe, G. Travelling-Wave Ion Mobility Time-of-Flight Mass Spectrometry as an Alternative Strategy for Screening of Multi-Class Pesticides in Fruits and Vegetables. Journal of Chromatography A 2015, 1405, 85- 93, 10.1016/j.chroma.2015.05.057
Belova, L.; Caballero-Casero, N.; Van Nuijs, A. L. N.; Covaci, A. Ion Mobility-High-Resolution Mass Spectrometry (IM-HRMS) for the Analysis of Contaminants of Emerging Concern (CECs): Database Compilation and Application to Urine Samples. Anal. Chem. 2021, 93 ( 16), 6428- 6436, 10.1021/acs.analchem.1c00142
Silveira, J. A.; Ridgeway, M. E.; Laukien, F. H.; Mann, M.; Park, M. A. Parallel Accumulation for 100% Duty Cycle Trapped Ion Mobility-Mass Spectrometry. Int. J. Mass Spectrom. 2017, 413, 168- 175, 10.1016/j.ijms.2016.03.004
Dodds, J. N.; May, J. C.; McLean, J. A. Correlating Resolving Power, Resolution, and Collision Cross Section: Unifying Cross-Platform Assessment of Separation Efficiency in Ion Mobility Spectrometry. Anal. Chem. 2017, 89 ( 22), 12176- 12184, 10.1021/acs.analchem.7b02827
Fernandez-Lima, F.; Kaplan, D. A.; Suetering, J.; Park, M. A. Gas-Phase Separation Using a Trapped Ion Mobility Spectrometer. Int. J. Ion Mobil. Spec. 2011, 14 ( 2-3), 93- 98, 10.1007/s12127-011-0067-8
Michelmann, K.; Silveira, J. A.; Ridgeway, M. E.; Park, M. A. Fundamentals of Trapped Ion Mobility Spectrometry. J. Am. Soc. Mass Spectrom. 2015, 26 ( 1), 14- 24, 10.1007/s13361-014-0999-4
Silveira, J. A.; Michelmann, K.; Ridgeway, M. E.; Park, M. A. Fundamentals of Trapped Ion Mobility Spectrometry Part II: Fluid Dynamics. J. Am. Soc. Mass Spectrom. 2016, 27 ( 4), 585- 595, 10.1007/s13361-015-1310-z
Larriba-Andaluz, C.; Chen, X.; Nahin, M.; Wu, T.; Fukushima, N. Analysis of Ion Motion and Diffusion Confinement in Inverted Drift Tubes and Trapped Ion Mobility Spectrometry Devices. Anal. Chem. 2019, 91 ( 1), 919- 927, 10.1021/acs.analchem.8b03930
Hernandez, D. R.; DeBord, J. D.; Ridgeway, M. E.; Kaplan, D. A.; Park, M. A.; Fernandez-Lima, F. Ion Dynamics in a Trapped Ion Mobility Spectrometer. Analyst 2014, 139 ( 8), 1913- 1921, 10.1039/C3AN02174B
Izquierdo-Sandoval, D.; Fabregat-Safont, D.; Lacalle-Bergeron, L.; Sancho, J. V.; Hernández, F.; Portoles, T. Benefits of Ion Mobility Separation in GC-APCI-HRMS Screening: From the Construction of a CCS Library to the Application to Real-World Samples. Anal. Chem. 2022, 94 ( 25), 9040- 9047, 10.1021/acs.analchem.2c01118
Focant, J.-F.; Eppe, G.; Pirard, C.; De Pauw, E. Fast Clean-up for Polychlorinated Dibenzo-p-Dioxins, Dibenzofurans and Coplanar Polychlorinated Biphenyls Analysis of High-Fat-Content Biological Samples. Journal of Chromatography A 2001, 925 ( 1-2), 207- 221, 10.1016/S0021-9673(01)01047-0
García-Bermejo, Á.; Ábalos, M.; Sauló, J.; Abad, E.; González, M. J.; Gómara, B. Triple Quadrupole Tandem Mass Spectrometry: A Real Alternative to High Resolution Magnetic Sector Instrument for the Analysis of Polychlorinated Dibenzo-p-Dioxins, Furans and Dioxin-like Polychlorinated Biphenyls. Anal. Chim. Acta 2015, 889, 156- 165, 10.1016/j.aca.2015.07.039
Benigni, P.; Fernandez-Lima, F. Oversampling Selective Accumulation Trapped Ion Mobility Spectrometry Coupled to FT-ICR MS: Fundamentals and Applications. Anal. Chem. 2016, 88 ( 14), 7404- 7412, 10.1021/acs.analchem.6b01946
Benigni, P.; Porter, J.; Ridgeway, M. E.; Park, M. A.; Fernandez-Lima, F. Increasing Analytical Separation and Duty Cycle with Nonlinear Analytical Mobility Scan Functions in TIMS-FT-ICR MS. Anal. Chem. 2018, 90 ( 4), 2446- 2450, 10.1021/acs.analchem.7b04053
Meier, F.; Brunner, A.-D.; Frank, M.; Ha, A.; Bludau, I.; Voytik, E.; Kaspar-Schoenefeld, S.; Lubeck, M.; Raether, O.; Bache, N.; Aebersold, R.; Collins, B. C.; Röst, H. L.; Mann, M. diaPASEF: Parallel Accumulation-Serial Fragmentation Combined with Data-Independent Acquisition. Nat. Methods 2020, 17 ( 12), 1229- 1236, 10.1038/s41592-020-00998-0
Skowronek, P.; Krohs, F.; Lubeck, M.; Wallmann, G.; Itang, E. C. M.; Koval, P.; Wahle, M.; Thielert, M.; Meier, F.; Willems, S.; Raether, O.; Mann, M. Synchro-PASEF Allows Precursor-Specific Fragment Ion Extraction and Interference Removal in Data-Independent Acquisition. Molecular & Cellular Proteomics 2023, 22 ( 2), 100489 10.1016/j.mcpro.2022.100489
Dodds, J. N.; Alexander, N. L. M.; Kirkwood, K. I.; Foster, M. R.; Hopkins, Z. R.; Knappe, D. R. U.; Baker, E. S. From Pesticides to Per- and Polyfluoroalkyl Substances: An Evaluation of Recent Targeted and Untargeted Mass Spectrometry Methods for Xenobiotics. Anal. Chem. 2021, 93 ( 1), 641- 656, 10.1021/acs.analchem.0c04359
Te Brinke, E.; Arrizabalaga-Larrañaga, A.; Blokland, M. H. Insights of Ion Mobility Spectrometry and Its Application on Food Safety and Authenticity: A Review. Anal. Chim. Acta 2022, 1222, 340039 10.1016/j.aca.2022.340039
Dodds, J. N.; May, J. C.; McLean, J. A. Correlating Resolving Power, Resolution, and Collision Cross Section: Unifying Cross-Platform Assessment of Separation Efficiency in Ion Mobility Spectrometry. Anal. Chem. 2017, 89 ( 22), 12176- 12184, 10.1021/acs.analchem.7b02827
van Leeuwen, S. P. J.; de Boer, J. Advances in the Gas Chromatographic Determination of Persistent Organic Pollutants in the Aquatic Environment. J. Chromatogr. A 2008, 1186 ( (1-2)), 161- 182, 10.1016/j.chroma.2008.01.044
Muir, D.; Sverko, E. Analytical Methods for PCBs and Organochlorine Pesticides in Environmental Monitoring and Surveillance: A Critical Appraisal. Anal Bioanal Chem. 2006, 386 ( 4), 769- 789, 10.1007/s00216-006-0765-y
Deng, L.; Webb, I. K.; Garimella, S. V. B.; Hamid, A. M.; Zheng, X.; Norheim, R. V.; Prost, S. A.; Anderson, G. A.; Sandoval, J. A.; Baker, E. S.; Ibrahim, Y. M.; Smith, R. D. Serpentine Ultralong Path with Extended Routing (SUPER) High Resolution Traveling Wave Ion Mobility-MS Using Structures for Lossless Ion Manipulations. Anal. Chem. 2017, 89 ( 8), 4628- 4634, 10.1021/acs.analchem.7b00185
Chouinard, C. D.; Nagy, G.; Webb, I. K.; Shi, T.; Baker, E. S.; Prost, S. A.; Liu, T.; Ibrahim, Y. M.; Smith, R. D. Improved Sensitivity and Separations for Phosphopeptides Using Online Liquid Chromotography Coupled with Structures for Lossless Ion Manipulations Ion Mobility-Mass Spectrometry. Anal. Chem. 2018, 90 ( 18), 10889- 10896, 10.1021/acs.analchem.8b02397
May, J. C.; Leaptrot, K. L.; Rose, B. S.; Moser, K. L. W.; Deng, L.; Maxon, L.; DeBord, D.; McLean, J. A. Resolving Power and Collision Cross Section Measurement Accuracy of a Prototype High-Resolution Ion Mobility Platform Incorporating Structures for Lossless Ion Manipulation. J. Am. Soc. Mass Spectrom. 2021, 32 ( 4), 1126- 1137, 10.1021/jasms.1c00056
Ma, Q.; Wang, C.; Bai, H.; Xi, H. W.; Xi, G. C.; Ren, X. M.; Yang, Y.; Guo, L. H. Comprehensive Two-Dimensional Separation of Hydroxylated Polybrominated Diphenyl Ethers by Ultra-Performance Liquid Chromatography Coupled with Ion Mobility-Mass Spectrometry. J. Am. Soc. Mass Spectrom. 2011, 22 ( 10), s13361-011-0200-0202, 10.1007/s13361-011-0200-2
Kajtazi, A.; Russo, G.; Wicht, K.; Eghbali, H.; Lynen, F. Facilitating Structural Elucidation of Small Environmental Solutes in RPLC-HRMS by Retention Index Prediction. Chemosphere 2023, 337, 139361 10.1016/j.chemosphere.2023.139361
Celma, A.; Bade, R.; Sancho, J. V.; Hernandez, F.; Humphries, M.; Bijlsma, L. Prediction of Retention Time and Collision Cross Section (CCS H+, CCS H-, and CCS Na+) of Emerging Contaminants Using Multiple Adaptive Regression Splines. J. Chem. Inf. Model. 2022, 62 ( 22), 5425- 5434, 10.1021/acs.jcim.2c00847
