Blood Exposome Database Compounds with DDA spectra coverage
- 1. Icahn School of Medicine at Mt Sinai
The last two columns in the CSV file has 1) DDA spectra (publicly available) count for blood exposome database compound list and 2) coverage (y/n) in the NIST 2020 database. First block of the InchiKey was used to query the spectral data that was downloaded from the MONA, GNPS, MS-DIAL repositories.
It can be useful for prioritizing compounds that need to be purchased for new DDA data collection, or they can be candidates for in-silico fragmentation analyses.
- Is derived from
- https://ehp.niehs.nih.gov/doi/full/10.1289/EHP4713 (URL)