Determining Collisional Cross Sections from Ion Decay with Individual Ion Mass Spectrometry

Fisher, Nickolas P.; McGee, John P.; Bowen, Kyle P.; Goodwin, Michael; Senko, Michael W.; Kelleher, Neil L.; Kafader, Jared O.

doi:10.1021/jasms.3c00340

Cited by 2 publications

(1 citation statement)

References 33 publications

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“…Previous efforts to couple CD-MS with LC 11,12 and capillary electrophoresis (CE) 13 have achieved some success, although spectra had relatively low signal-tonoise ratios (SNR). At the time of writing, we are not aware of any studies that report coupling IM with CD-MS, but information about collision cross sections (CCS) has been obtained through analysis of signal decay rates in ELIT 14,15 and Orbitrap 16 CD-MS platforms.…”

Section: Introductionmentioning

confidence: 99%

UniChromCD for Demultiplexing Time-resolved Charge Detection-Mass Spectrometry Data

Sanders,

Owen,

Tran

et al. 2024

Preprint

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Charge detection mass spectrometry (CD-MS) enables characterization of large, heterogeneous analytes through the analysis of individual ion signals. Because hundreds to thousands of scans must be acquired to produce adequate ion statistics, CD-MS generally requires long analysis times. The slow acquisition speed of CD-MS complicates efforts to couple it with time-dispersive techniques, such as chromatography and ion mobility, because it is not always possible to acquire enough scans from a single sample injection to generate sufficient ion statistics. Multiplexing methods based on Hadamard and Fourier transforms offer an attractive solution to this problem by improving the duty cycle of the separation while preserving retention/drift time information. However, integrating multiplexing with CD-MS data processing is complex. Here, we present UniChromCD, a new module in the open-source UniDec package that incorporates CD-MS time-domain data processing with demultiplexing tools. Following a detailed description of the algorithm, we demonstrate its capabilities using two multiplexed CD-MS workflows: Hadamard-transform size-exclusion chromatography and Fourier-transform ion mobility. Overall, UniChromCD provides a user-friendly interface for analysis and visualization of time-resolved CD-MS data.

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