In-silico CID MS/MS Spectra for the Blood Exposome Compounds
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In-silico spectra (+ve mode, M+H) were generated for the Blood Exposome Compounds ( BloodExposome.org ) 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. Files are available in the NIST MSP format and the NIST Library (lib2nist conversion)
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Zenodo创建时间：
2024-09-17
