Structural Characterization of Drug-like Compounds by Ion Mobility Mass Spectrometry: Comparison of Theoretical and Experimentally Derived Nitrogen Collision Cross Sections

2011 ◽  
Vol 84 (2) ◽  
pp. 1026-1033 ◽  
Author(s):  
Iain Campuzano ◽  
Matthew F. Bush ◽  
Carol V. Robinson ◽  
Claire Beaumont ◽  
Keith Richardson ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Cross Sections ◽  
Structural Characterization ◽  
Ion Mobility ◽  
Ion Mobility Mass Spectrometry ◽  
Collision Cross Sections

scholarly journals Structural Characterization of Methylenedianiline Regioisomers by Ion Mobility-Mass Spectrometry and Tandem Mass Spectrometry. 4. 3-Ring and 4-Ring Isomers

2018 ◽  
Vol 90 (24) ◽  
pp. 14453-14461 ◽  
Author(s):  
Tiffany M. Crescentini ◽  
Sarah M. Stow ◽  
Jay G. Forsythe ◽  
Jody C. May ◽  
John A. McLean ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Tandem Mass Spectrometry ◽  
Structural Characterization ◽  
Ion Mobility ◽  
Ion Mobility Mass Spectrometry ◽  
Tandem Mass

scholarly journals A Novel Approach to Characterize the Lipidome of Marine Archaeon Nitrosopumilus maritimus by Ion Mobility Mass Spectrometry

2021 ◽  
Vol 12 ◽  
Author(s):  
Kai P. Law ◽  
Wei He ◽  
Jianchang Tao ◽  
Chuanlun Zhang
Keyword(s):  
Mass Spectrometry ◽  
Cross Sections ◽  
Ion Mobility ◽  
Resolving Power ◽  
Ion Mobility Mass Spectrometry ◽  
Ion Chemistry ◽  
Lipid Species ◽  
Mobility System ◽  
Archaeal Lipids

Archaea are differentiated from the other two domains of life by their biomolecular characteristics. One such characteristic is the unique structure and composition of their lipids. Characterization of the whole set of lipids in a biological system (the lipidome) remains technologically challenging. This is because the lipidome is innately complex, and not all lipid species are extractable, separable, or ionizable by a single analytical method. Furthermore, lipids are structurally and chemically diverse. Many lipids are isobaric or isomeric and often indistinguishable by the measurement of mass or even their fragmentation spectra. Here we developed a novel analytical protocol based on liquid chromatography ion mobility mass spectrometry to enhance the coverage of the lipidome and characterize the conformations of archaeal lipids by their collision cross-sections (CCSs). The measurements of ion mobility revealed the gas-phase ion chemistry of representative archaeal lipids and provided further insights into their attributions to the adaptability of archaea to environmental stresses. A comprehensive characterization of the lipidome of mesophilic marine thaumarchaeon, Nitrosopumilus maritimus (strain SCM1) revealed potentially an unreported phosphate- and sulfate-containing lipid candidate by negative ionization analysis. It was the first time that experimentally derived CCS values of archaeal lipids were reported. Discrimination of crenarchaeol and its proposed stereoisomer was, however, not achieved with the resolving power of the SYNAPT G2 ion mobility system, and a high-resolution ion mobility system may be required for future work. Structural and spectral libraries of archaeal lipids were constructed in non-vendor-specific formats and are being made available to the community to promote research of Archaea by lipidomics.

Estimating Collision Cross Sections of Negatively Charged N-Glycans using Traveling Wave Ion Mobility-Mass Spectrometry

2014 ◽  
Vol 86 (21) ◽  
pp. 10789-10795 ◽  
Author(s):  
Johanna Hofmann ◽  
Weston B. Struwe ◽  
Charlotte A. Scarff ◽  
James H. Scrivens ◽  
David J. Harvey ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Cross Sections ◽  
Ion Mobility ◽  
Traveling Wave ◽  
Ion Mobility Mass Spectrometry ◽  
Collision Cross Sections ◽  
Traveling Wave Ion Mobility
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