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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 1200-1400
Re-Analyze Task Outputs Import to Re-analyze Task Data Attach Reanalysis Results to Dataset
Date Created 2021-06-23 10:23:16.0
Execution Time 35 days 2 hours 18 minutes 21 seconds
Progress
Spectrum Files
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/S095-8---PDMS-W3.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/S312-26---PDMS-W4.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/S072-6---PDMS-W4.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/PDMS BLANK B3.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/S298-25---PDMS-W2.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/S383-32---PDMS-W3.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/S336-28----PDMS-W4.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/S021-2---PDMS-W1.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/S297-25---PDMS-W1.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/S214-18---PDMS-W2.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/S264-22---PDMS-W4.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/I018-18---PDMS-W0.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/S084-7---PDMS-W4.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/I010-10---PDMS-W0.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/I014-14---PDMS-W0.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/I026-26---PDMS-W0.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/Vial_blank_2_2.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/S215-18---PDMS-W3.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/S012-1---PDMS-W4.mzML
MSV000084337/ccms_peak/High res QToF_armpits smell hedonic value data_PDMS_HS/S382-32---PDMS-W2.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