In-silico Mass Spectra for PFAS compounds in Negative mode
收藏官方服务：
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.
提供机构：
Zenodo创建时间：
2024-09-18
