Merge pull request #399 from j2zemlin/patch-12

Update gnpslibraries.md

docs/gnpslibraries.md

@@ -69,3 +69,5 @@ To download the spectra, go to [here](https://external.gnps2.org/gnpslibrary).
 | [View](https://gnps.ucsd.edu/ProteoSAFe/gnpslibrary.jsp?library=ELIXDB-LICHEN-DATABASE) | ELIXDB  | This library contains the MS/MS spectra of 534 lichen-derived compounds from the library of Jack Elix, housed at the Australian National Herbarium (Canberra, Australia). This included 399 unique metabolites that are not in the LDB Lichen Database.  |
 | [View](https://gnps.ucsd.edu/ProteoSAFe/gnpslibrary.jsp?library=GNPS-DRUG-ANALOG) | GNPS-DRUG-ANALOG  | Drug analogs propagated from GNPS Drug Library. Drug analogs were compiled by mining the GNPS/MassIVE public repository based on MS/MS spectra alignment using repository-scale molecular networking and fastMASST with analog search, followed by rigorous post-filtering. Contact [email protected] for metadata.  |
 | [View](https://gnps.ucsd.edu/ProteoSAFe/gnpslibrary.jsp?library=MCE-DRUG) | MCE-DRUG | Drugs in clinical phase 1-4 from the MedChemExpress Bioactive Compound Library. Samples were analyzed by flow injection method to acquire MSn data on an Orbitrap ID-X instrument in positive ionization mode. Pseudo MS2 spectra were generated by merging a full MSn tree into one spectrum per compound ion.  |
+| [View](https://gnps.ucsd.edu/ProteoSAFe/gnpslibrary.jsp?library=CMMC-FOOD-BIOMARKERS) | CMMC Food Biomarkers Library | -  |
+| [View](https://gnps.ucsd.edu/ProteoSAFe/gnpslibrary.jsp?library=ECRFS_DB) | Emerging Chemical Risks in Food Safety (ECRFS) Spectral library | This dataset contains MS2 spectral data for 102 compounds identified as emerging chemical risks in the food chain by the European Food Safety Authority (EFSA) or classified as persistent, mobile, and toxic (PMT) compounds. The spectral data was collected at Wageningen Food Safety Research, part of Wageningen University and Research (The Netherlands), using an Orbitrap IQX instrument in positive ionization mode with a collision energy of 30. The pure standards were acquired as part of the project “Screening for emerging chemical risks in the food chain (SCREENER) | EFSA (europa.eu))’’ and the dataset refinement, and dissemination were funded by the Fair Data Fund 2023 grant (The FAIR Data Fund – 4TU.ResearchData). The spectral data, available in .mgf and .msp formats, is also hosted in the MassIVE repository, along with compounds’ metadata such as name, synonyms, retention times, molecular formulae, SMILES, InchIKeys and EFSA-sourced predicted toxicity and toxicological endpoints.  |