High-confidence structural identification of metabolites relying on tandem mass spectrometry through isomeric identification: A tutorial

Y Song, Q Song, W Liu, J Li, P Tu - TrAC Trends in Analytical Chemistry, 2023 - Elsevier
MS/MS currently serves as the workhorse for metabolomics. Structural identification is
extremely important to correlate statistical variables to biochemical functions and …

Recent advances in high‐resolution traveling wave‐based ion mobility separations coupled to mass spectrometry

CN Naylor, G Nagy - Mass Spectrometry Reviews, 2024 - Wiley Online Library
Recently, ion mobility spectrometry‐mass spectrometry (IMS‐MS) has become more readily
incorporated into various omics‐based workflows. These growing applications are due to …

General method to obtain collision cross-section values in multipass high-resolution cyclic ion mobility separations

SC Habibi, G Nagy - Analytical chemistry, 2023 - ACS Publications
In recent years, ion mobility spectrometry-mass spectrometry (IMS-MS) has advanced the
field of omics-based research, especially with the development of high-resolution platforms; …

Multistage ion mobility spectrometry combined with infrared spectroscopy for glycan analysis

P Bansal, A Ben Faleh, S Warnke… - Journal of the American …, 2023 - ACS Publications
The structural complexity of glycans makes their characterization challenging, not only
because of the presence of various isomeric forms of the precursor molecule but also …

Probing High-Order Transient Oligomers Using Ion Mobility Mass Spectrometry Coupled with Infrared Action Spectroscopy

S Bakels, S Daly, B Doğan, M Baerenfaenger… - Analytical …, 2024 - ACS Publications
Understanding and controlling peptide aggregation are critical due to its neurotoxic
implications. However, structural information about the key intermediates, the oligomers, is …

Enhancing the depth of analyses with next-generation ion mobility experiments

BP Zercher, TA Gozzo, AC Wageman… - Annual Review of …, 2023 - annualreviews.org
Recent developments in ion mobility (IM) technology have expanded the capability to
separate and characterize gas-phase ions of biomolecules, especially when paired with …

Strategy strengthens structural identification through hyphenating full collision energy ramp-MS2 and full exciting energy ramp-MS3 spectra: an application for …

K Zhang, H Li, J Shi, W Liu, Y Wang, P Tu, J Li… - Analytica Chimica …, 2024 - Elsevier
Abstract “MS/MS spectrum to structure” analysis is the most challenging task for MS/MS-
relied qualitative characterization. The conventional database-and computation-assisted …

Ion Mobility Mass Spectrometry for Glycomics: Challenges and Opportunities When Met with Artificial Intelligence

K Zhu, W Wang, X Ye, S Chen - TrAC Trends in Analytical Chemistry, 2024 - Elsevier
Glycans possess complex and unique stereochemical features, endowing them with
distinguishing functions. An urgent need to develop a glycan sequencing method to …

An In Silico Infrared Spectral Library of Molecular Ions for Metabolite Identification

KJ Houthuijs, G Berden, UFH Engelke… - Analytical …, 2023 - ACS Publications
Infrared ion spectroscopy (IRIS) continues to see increasing use as an analytical tool for
small-molecule identification in conjunction with mass spectrometry (MS). The IR spectrum …

Combining Liquid Chromatography and Cryogenic IR Spectroscopy in Real Time for the Analysis of Oligosaccharides

AH Abikhodr, S Warnke, A Ben Faleh… - Analytical …, 2024 - ACS Publications
While the combination of liquid chromatography (LC) and mass spectrometry (MS) serves as
a robust approach for oligosaccharide analysis, it has difficulty distinguishing the smallest …