Update gnpslibraries.md

docs/gnpslibraries.md

@@ -65,7 +65,7 @@ To download the spectra, go to [here](https://external.gnps2.org/gnpslibrary).
 | [View](https://gnps.ucsd.edu/ProteoSAFe/gnpslibrary.jsp?library=NEO-MSMS) | NEO-MSMS  | The NEO-MSMS, described on Elloumi et al. (https://doi.org/10.26434/chemrxiv-2023-561x5-v2), comprises three distinct libraries. The first library (i.e. NEO-MSMS) includes standards of oxylipins and non-enzymatic oxygenated metabolites of polyunsaturated fatty acids (NEO-PUFAs). The second library (i.e. NEO-MSMS_putative_lib) incorporates putative oxylipin and NEO-PUFA MSMS spectra derreplicated from oxidation experiments. Lastly, the collection features a version of the Watrous et al. oxylipin MSMS standards library (https://doi.org/10.1016/j.chembiol.2018.11.015) (i.e. NEO-MSMS_Watrous_lib). |
 | [View](https://gnps.ucsd.edu/ProteoSAFe/gnpslibrary.jsp?library=PHENOLICSDB) | PHENOLICSDB  | Our database includes flavonols, flavonoids, anthocyanins, dihydrochalcones, phenolic acids, organic acids, and sugars. Fragmentation patterns for 73 authentic standards were collected using electrospray ionization in positive and negative polarity, and at multiple collision energies (20, 40, 60, and 80 eV CE) using a LC-QTOF. The resulting 320 MS/MS spectra are presented in PhenolicsDB , publicly available in GNPS and for download in .mgf and .nist format and use also at https://cooperstonelab.github.io/PhenolicsDB/. This library was created by Cristian Quiroz-Moreno ([email protected]) and Jessica Cooperstone ([email protected]).  |
 |  [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=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).|
 | [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.  |