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Library ID results do not display SMILES #13

@oolonek

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@oolonek

I am not sure this is the correct place to post this issue. Let me know if it should be shared elsewhere.

When running a FBMN workflow the library id do not necessarily returns SMILES associated to the spectral match.

E.g. https://gnps2.org/result?task=b947d7e448bf4954b6cb0eef4076fe8c&viewname=librarymatches&resultdisplay_type=task
Here feature 41 is matched to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine https://metabolomics-usi.gnps2.org/dashinterface/?usi1=mzspec:GNPS2:TASK-b947d7e448bf4954b6cb0eef4076fe8c-nf_output/clustering/spectra_reformatted.mgf:scan:41&usi2=mzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00003136226

The original spectral library entry for the reference compound does have a SMILES associated see https://gnps.ucsd.edu/ProteoSAFe/gnpslibraryspectrum.jsp?SpectrumID=CCMSLIB00003136226

Why is this SMILES not associated to the spectral matching results file ?
In this case :

CCMSLIB00003136226	41	spectra_filtered.mgf	GNPS-NIST14-MATCHES.mgf	0.958908	56054.1	0	2.46594	9	0.00183105	742.539	-1	temp/spectra_filtered.mgf41	1	Spectral Match to 1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine from NIST14	ESI	HCD	Isolated	Data from Charles Ansong	Data deposited by alchemistmatt	M-H	742.537	0.0	1	7266537	N/A	N/A	N/A	N/A	3	Negative	GNPS-NIST14-MATCHES	742.537	UPDATE-SINGLE-ANNOTATED-BRONZE	Bronze		N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	N/A	mzspec:GNPS:GNPS-LIBRARY:CCMSLIB00003136226

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