In-Silico Mass Spectra for Compounds in the Metabolon's Annotation List (Open-Access)
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In-silico spectra (+ve mode, M+H) were generated for Metabolon's data dictionary ( https://zenodo.org/records/10974865 ) using the ICEBERG model, re-trained using MONA/GNPS/NIST2020 spectra. Disclaimer: These are simulated spectra so they should be used with cautions to annotate compounds in LC-HRMS datasets.
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Zenodo创建时间：
2024-09-13
