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

Kas J. Houthuijs, Giel Berden, Udo F. H. Engelke, Vasuk Gautam, David S. Wishart, Ron A. Wevers, Jonathan Martens, Jos Oomens

Research output: Contribution to JournalArticleAcademicpeer-review

Original languageUndefined/Unknown
Pages (from-to)8998-9005
JournalAnalytical chemistry
Volume95
Issue number23
DOIs
Publication statusPublished - 13 Jun 2023

Funding

We gratefully acknowledge the Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) for the support of the FELIX Laboratory through the research program “National Roadmap Grootschalige Wetenschappelijke Infastructuur” 184.034.022. This project received funding from NWO-TTW (15769) and NWO Rekentijd for the computational resources (2021.055); we thank the SURFsara Supercomputer Centre staff for continuous support and the Canada Foundation for Innovation (35456) for financial support for the HMDB.

FundersFunder number
HMDB
NWO-TTW2021.055
Canada Foundation for Innovation35456
Nederlandse Organisatie voor Wetenschappelijk Onderzoek184.034.022

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