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Workflow MOLECULAR-LIBRARYSEARCH-V2 (version release_28)
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Userwoutb (wout.bittremieux@uantwerpen.be), University of Antwerp
Title
Public library search 1400-1599
Re-Analyze Task Outputs Import to Re-analyze Task Data Attach Reanalysis Results to Dataset
Date Created 2021-06-23 10:24:28.0
Execution Time 14 days 3 hours 50 minutes 50 seconds
Progress
Spectrum Files
MSV000085621/ccms_peak/C458ab-tandem.mzML
MSV000085621/ccms_peak/Col328-tandem.mzML
MSV000085621/ccms_peak/C458b-syn-tandem.mzML
MSV000085621/ccms_peak/Colipterins-pooled-tandem.mzML
MSV000085621/ccms_peak/C458a-syn-tandem.mzML
MSV000085632/ccms_peak/raw/QExHF03_HPLC_0000206.mzML
MSV000085632/ccms_peak/raw/QExHF03_HPLC_0000202.mzML
MSV000085632/ccms_peak/raw/QExHF03_HPLC_0000193.mzML
MSV000085632/ccms_peak/raw/QExHF03_HPLC_0000216.mzML
MSV000085632/ccms_peak/raw/QExHF03_HPLC_0000227.mzML
MSV000085632/ccms_peak/raw/QExHF03_HPLC_0000197.mzML
MSV000085632/ccms_peak/raw/QExHF03_HPLC_0000223.mzML
MSV000085632/ccms_peak/raw/QExHF03_HPLC_0000217.mzML
MSV000085632/ccms_peak/raw/QExHF03_HPLC_0000226.mzML
MSV000085632/ccms_peak/raw/QExHF03_HPLC_0000196.mzML
MSV000085632/ccms_peak/raw/QExHF03_HPLC_0000222.mzML
MSV000085632/ccms_peak/raw/QExHF03_HPLC_0000213.mzML
MSV000085632/ccms_peak/raw/QExHF03_HPLC_0000207.mzML
MSV000085632/ccms_peak/raw/QExHF03_HPLC_0000203.mzML
MSV000085632/ccms_peak/raw/QExHF03_HPLC_0000215.mzML

Spectral Library
speclibs/CASMI/CASMI.mgf
speclibs/MONA/MONA.mgf
speclibs/GNPS-NIH-CLINICALCOLLECTION2/GNPS-NIH-CLINICALCOLLECTION2.mgf
speclibs/GNPS-SELLECKCHEM-FDA-PART1/GNPS-SELLECKCHEM-FDA-PART1.mgf
speclibs/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE/GNPS-COLLECTIONS-PESTICIDES-NEGATIVE.mgf
speclibs/LDB_POSITIVE/LDB_POSITIVE.mgf
speclibs/GNPS-NIH-NATURALPRODUCTSLIBRARY/GNPS-NIH-NATURALPRODUCTSLIBRARY.mgf
speclibs/GNPS-NIH-CLINICALCOLLECTION1/GNPS-NIH-CLINICALCOLLECTION1.mgf
speclibs/MMV_POSITIVE/MMV_POSITIVE.mgf
speclibs/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE/GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE.mgf
speclibs/GNPS-SELLECKCHEM-FDA-PART2/GNPS-SELLECKCHEM-FDA-PART2.mgf
speclibs/PNNL-LIPIDS/PNNL-LIPIDS-NEGATIVE.mgf
speclibs/PNNL-LIPIDS/PNNL-LIPIDS-POSITIVE.mgf
speclibs/GNPS-NIST14-MATCHES/GNPS-NIST14-MATCHES.mgf
speclibs/GNPS-IOBA-NHC/GNPS-IOBA-NHC.mgf
speclibs/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE/GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE.mgf
speclibs/BILELIB19/BILELIB19.mgf
speclibs/HCE-CELL-LYSATE-LIPIDS/HCE-CELL-LYSATE-LIPIDS.mgf
speclibs/GNPS-EMBL-MCF/GNPS-EMBL-MCF.mgf
speclibs/GNPS-PRESTWICKPHYTOCHEM/GNPS-PRESTWICKPHYTOCHEM.mgf