Software tools and approaches for compound identification of LC-MS/MS data in metabolomics

I Blaženović, T Kind, J Ji, O Fiehn - Metabolites, 2018 - mdpi.com
The annotation of small molecules remains a major challenge in untargeted mass
spectrometry-based metabolomics. We here critically discuss structured elucidation …

Ion mobility mass spectrometry in the omics era: Challenges and opportunities for metabolomics and lipidomics

G Paglia, AJ Smith, G Astarita - Mass Spectrometry Reviews, 2022 - Wiley Online Library
Researchers worldwide are taking advantage of novel, commercially available,
technologies, such as ion mobility mass spectrometry (IM‐MS), for metabolomics and …

Adding a new separation dimension to MS and LC–MS: what is the utility of ion mobility spectrometry?

V d'Atri, T Causon, O Hernandez‐Alba… - Journal of separation …, 2018 - Wiley Online Library
Ion mobility spectrometry is an analytical technique known for more than 100 years, which
entails separating ions in the gas phase based on their size, shape, and charge. While ion …

Ion mobility-based sterolomics reveals spatially and temporally distinctive sterol lipids in the mouse brain

T Li, Y Yin, Z Zhou, J Qiu, W Liu, X Zhang, K He… - Nature …, 2021 - nature.com
Aberrant sterol lipid metabolism is associated with physiological dysfunctions in the aging
brain and aging-dependent disorders such as neurodegenerative diseases. There is an …

Recommendations on the measurement and the clinical use of vitamin D metabolites and vitamin D binding protein–A position paper from the IFCC Committee on …

K Makris, HP Bhattoa, E Cavalier, K Phinney… - Clinica Chimica …, 2021 - Elsevier
Vitamin D, an important hormone with a central role in calcium and phosphate homeostasis,
is required for bone and muscle development as well as preservation of musculoskeletal …

Investigating the potential of drift tube ion mobility for the analysis of oxidized lipids

KM da Silva, M Wölk, P Nepachalovich… - Analytical …, 2023 - ACS Publications
Epilipids, a subset of the lipidome that comprises oxidized, nitrated, and halogenated lipid
species, show important biochemical activity in the regulation of redox lipid metabolism by …

Isomer and conformer-specific mass distribution-based isotopic shifts in high-resolution cyclic ion mobility separations

DL Williamson, G Nagy - Analytical Chemistry, 2022 - ACS Publications
Herein, we present the use of mass distribution-based isotopic shifts in high-resolution cyclic
ion mobility spectrometry–mass spectrometry (cIMS-MS)-based separations to characterize …

Collision cross section measurement and prediction methods in omics

KY Kartowikromo, OE Olajide… - Journal of mass …, 2023 - Wiley Online Library
Omics studies such as metabolomics, lipidomics, and proteomics have become important for
understanding the mechanisms in living organisms. However, the compounds detected are …

Advancing the large-scale CCS database for metabolomics and lipidomics at the machine-learning era

Z Zhou, J Tu, ZJ Zhu - Current Opinion in Chemical Biology, 2018 - Elsevier
Highlights•Ion mobility–mass spectrometry (IM–MS) supports the metabolomics and
lipidomics applications.•Collision cross-section (CCS) value is a valuable physiochemical …

Analysis of vitamin D metabolic markers by mass spectrometry: Recent progress regarding the “gold standard” method and integration into clinical practice

A Alexandridou, P Schorr, CS Stokes… - Mass Spectrometry …, 2023 - Wiley Online Library
Liquid chromatography/tandem mass spectrometry is firmly established today as the gold
standard technique for analysis of vitamin D, both for vitamin D status assessments as well …