In-silico Mass Spectra for PFAS compounds in Negative mode
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https://zenodo.org/record/13787861
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资源简介：
In-silico spectra were generated for PFAS compounds in negative mode, 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.
创建时间：
2024-09-19
