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Update gnpslibraries.md #397

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Update gnpslibraries.md #397

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Expand Up @@ -67,3 +67,4 @@ To download the spectra, go to [here](https://external.gnps2.org/gnpslibrary).
| [Positive](https://gnps.ucsd.edu/ProteoSAFe/gnpslibrary.jsp?library=MSNLIB-POSITIVE) <br> [Negative](https://gnps.ucsd.edu/ProteoSAFe/gnpslibrary.jsp?library=MSNLIB-NEGATIVE) | MSNLIB | This spectral library contains 4 different compound libraries: MCEBIO: bioactive compound library (MedChemExpress), MCESAF: 5k scaffold library (MedChemExpress), NIHNP: NIH NPAC ACONN collection of NP (NIH/NCATS), OVATAPEP: alpha-helix peptidomimetic library (OTAVAchemicals), resulting in 16,391 unique compounds (14,008 in positive, 10,091 in negative). |
| [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. |
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