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LC-MS² meta data for each MassBank (MB) subset

  • Eric Bach (Creator)

Dataset

Description

The CSV-file (tab used as separator) provides the Liquid-chromatography (LC) and Tandem-mass spectrometry (MS²) configurations for each MassBank (MB) subset used in the publication: "Joint structural annotation of small molecules using liquid chromatography retention order and tandem mass spectrometry data" by Bach et al. (2022).
Date made available7 Sept 2022
PublisherZenodo

Dataset Licences

  • CC-BY-4.0

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  • MAGITICS: Machine Learning for Antimicrobial Resistance

    Rousu, J. (Principal investigator), Oksanen, M. (Project Member), Xiang, W. (Project Member), Bach, E. (Project Member), Szedmak, S. (Project Member) & Huusari, R. (Project Member)

    01/01/2020 → 31/12/2023

    Project: EU H2020 Framework program

  • Machine Learning for Computational Metabolomics

    Rousu, J. (Principal investigator), Bach, E. (Project Member), Brouard, C. (Project Member), Oksanen, M. (Project Member), Sabzevari, M. (Project Member) & Huusari, R. (Project Member)

    01/09/2017 → 31/08/2021

    Project: Academy of Finland: Other research funding

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