Merge pull request #398 from j2zemlin/patch-11

Update gnpslibraries.md

docs/gnpslibraries.md

@@ -68,3 +68,4 @@ To download the spectra, go to [here](https://external.gnps2.org/gnpslibrary).
 | [View](https://gnps.ucsd.edu/ProteoSAFe/gnpslibrary.jsp?library=GNPS-N-ACYL-LIPIDS-MASSQL) | GNPS N-ACYL LIPIDS MASSQL Library  | This library consists of 3,063 MS/MS spectra of highest intensity from from the clustered spectra of public data on GNPS/MassIVE recovered using MassQL queries designed for N-acyl lipids. This library contains MS/MS spectra of 851 unique N-acyl lipids (46 different headgroups and fatty acid chain length ranging from 2 to 30 carbons and up to 4 unsaturations). Note: This library is not selected by default for search in GNPS and must be explicitly selected in the GNPS workflow from CCMS_SpectralLibraries/GNPS_Propagated_Libraries/GNPS-N-ACYL-LIPIDS-MASSQL  |
 | [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.  |