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 …

NORMAN guidance on suspect and non-target screening in environmental monitoring

J Hollender, EL Schymanski, L Ahrens… - Environmental Sciences …, 2023 - Springer
Increasing production and use of chemicals and awareness of their impact on ecosystems
and humans has led to large interest for broadening the knowledge on the chemical status …

diaPASEF: parallel accumulation–serial fragmentation combined with data-independent acquisition

F Meier, AD Brunner, M Frank, A Ha, I Bludau… - Nature …, 2020 - nature.com
Data-independent acquisition modes isolate and concurrently fragment populations of
different precursors by cycling through segments of a predefined precursor m/z range …

Online parallel accumulation–serial fragmentation (PASEF) with a novel trapped ion mobility mass spectrometer

F Meier, AD Brunner, S Koch, H Koch, M Lubeck… - Molecular & Cellular …, 2018 - ASBMB
In bottom-up proteomics, peptides are separated by liquid chromatography with elution peak
widths in the range of seconds, whereas mass spectra are acquired in about 100 …

Ion mobility spectrometry in food analysis: Principles, current applications and future trends

M Hernández-Mesa, D Ropartz, AM García-Campaña… - Molecules, 2019 - mdpi.com
In the last decade, ion mobility spectrometry (IMS) has reemerged as an analytical
separation technique, especially due to the commercialization of ion mobility mass …

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 …

[HTML][HTML] Novel technologies for metabolomics: More for less

P Miggiels, B Wouters, GJP van Westen… - TrAC Trends in …, 2019 - Elsevier
The human metabolome provides a direct physiological read-out of an individual's actual
health state and includes biomarkers that may predict disease or response to a treatment …

A tutorial in small molecule identification via electrospray ionization‐mass spectrometry: The practical art of structural elucidation

T De Vijlder, D Valkenborg, F Lemière… - Mass spectrometry …, 2018 - Wiley Online Library
The identification of unknown molecules has been one of the cornerstone applications of
mass spectrometry for decades. This tutorial reviews the basics of the interpretation of …

Glycan analysis by ion mobility–mass spectrometry

J Hofmann, K Pagel - Angewandte Chemie International …, 2017 - Wiley Online Library
Carbohydrates form one of the major classes of biological macromolecules in living
organisms. To investigate their properties and function, an in‐depth knowledge of their …

Approaches to heterogeneity in native mass spectrometry

AD Rolland, JS Prell - Chemical reviews, 2021 - ACS Publications
Native mass spectrometry (MS) is aimed at preserving and determining the native structure,
composition, and stoichiometry of biomolecules and their complexes from solution after they …