[HTML][HTML] 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 …

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 …

[HTML][HTML] Ion mobility collision cross-section atlas for known and unknown metabolite annotation in untargeted metabolomics

Z Zhou, M Luo, X Chen, Y Yin, X Xiong, R Wang… - Nature …, 2020 - nature.com
The metabolome includes not just known but also unknown metabolites; however,
metabolite annotation remains the bottleneck in untargeted metabolomics. Ion mobility …

Advanced analytical and informatic strategies for metabolite annotation in untargeted metabolomics

Y Cai, Z Zhou, ZJ Zhu - TrAC Trends in Analytical Chemistry, 2023 - Elsevier
Liquid chromatography–mass spectrometry (LC–MS)-based untargeted metabolomics is
constantly challenged by large-scale and unambiguous metabolite annotation in complex …

[HTML][HTML] 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 …

Improving target and suspect screening high-resolution mass spectrometry workflows in environmental analysis by ion mobility separation

A Celma, JV Sancho, EL Schymanski… - Environmental …, 2020 - ACS Publications
Currently, the most powerful approach to monitor organic micropollutants (OMPs) in
environmental samples is the combination of target, suspect, and nontarget screening …

Predicting ion mobility collision cross-sections using a deep neural network: DeepCCS

PL Plante, É Francovic-Fontaine, JC May… - Analytical …, 2019 - ACS Publications
Untargeted metabolomic measurements using mass spectrometry are a powerful tool for
uncovering new small molecules with environmental and biological importance. The small …

Guidance in selecting analytical techniques for identification and quantification of non-intentionally added substances (NIAS) in food contact materials (FCMS)

C Nerín, S Bourdoux, B Faust, T Gude… - Food Additives & …, 2022 - Taylor & Francis
There are numerous approaches and methodologies for assessing the identity and
quantities of non-intentionally added substances (NIAS) in food contact materials (FCMs) …

Breaking down structural diversity for comprehensive prediction of ion-neutral collision cross sections

DH Ross, JH Cho, L Xu - Analytical chemistry, 2020 - ACS Publications
Identification of unknowns is a bottleneck for large-scale untargeted analyses like
metabolomics or drug metabolite identification. Ion mobility-mass spectrometry (IM-MS) …

AllCCS2: Curation of ion mobility collision cross-section atlas for small molecules using comprehensive molecular representations

H Zhang, M Luo, H Wang, F Ren, Y Yin… - Analytical …, 2023 - ACS Publications
The development of ion mobility–mass spectrometry (IM–MS) has revolutionized the
analysis of small molecules, such as metabolomics, lipidomics, and exposome studies. The …