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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 + suspect library search 200-400
Re-Analyze Task Outputs Import to Re-analyze Task Data Attach Reanalysis Results to Dataset
Date Created 2021-06-23 10:36:32.0
Execution Time 35 days 2 hours 26 minutes 10 seconds
Progress
Spectrum Files
MSV000079099/ccms_peak/technical_blanks/P-1_MeOH-1_P2-E-2_01_20698.mzXML
MSV000079099/ccms_peak/technical_blanks/P-1_MeOH+Std-1uM_P2-E-1_01_20695.mzXML
MSV000079099/ccms_peak/technical_blanks/P-1_MeOH+Std-10uM_P2-E-7_01_20697.mzXML
MSV000079099/ccms_peak/technical_blanks/P-1_Blank-1_P2-A-1_01_20694.mzXML
MSV000079099/ccms_peak/technical_blanks/P-1_MeOH-2_P2-E-4_01_20702.mzXML
MSV000079099/ccms_peak/Control_Swabs/Tomato-Swabs_NoSwab-3_EtOAc_P1-H-9_01_20794.mzXML
MSV000079099/ccms_peak/Control_Swabs/Tomato-Swabs_Swab-6_EtOAc_P1-H-6_01_20701.mzXML
MSV000079099/ccms_peak/Control_Swabs/Tomato-Swabs_Swab-5_EtOAc_P1-H-5_01_20791.mzXML
MSV000079099/ccms_peak/Control_Swabs/Tomato-Swabs_Swab-4_EtOAc_P1-H-4_01_20790.mzXML
MSV000079099/ccms_peak/Control_Swabs/Tomato-Swabs_Swab-1_EtOAc_P1-A-12_01_20714.mzXML
MSV000079099/ccms_peak/Control_Swabs/Tomato-Swabs_NoSwab-5_EtOAc_P1-H-11_01_20724.mzXML
MSV000079099/ccms_peak/Control_Swabs/Tomato-Swabs_Swab-3_EtOAc_P1-H-3_01_20789.mzXML
MSV000079099/ccms_peak/Control_Swabs/Tomato-Swabs_Swab-2_EtOAc_P1-H-2_01_20788.mzXML
MSV000079099/ccms_peak/Control_Swabs/Tomato-Swabs_NoSwab-6_EtOAc_P1-H-12_01_20699.mzXML
MSV000079099/ccms_peak/Control_Swabs/Tomato-Swabs_NoSwab-2_EtOAc_P1-H-8_01_20793.mzXML
MSV000079099/ccms_peak/Control_Swabs/Tomato-Swabs_NoSwab-1_EtOAc_P1-H-7_01_20792.mzXML
MSV000079099/ccms_peak/Control_Swabs/Tomato-Swabs_NoSwab-6_EtOAc_P1-H-12_01_20696.mzXML
MSV000079099/ccms_peak/Control_Swabs/Tomato-Swabs_NoSwab-4_EtOAc_P1-H-10_01_20795.mzXML
MSV000079099/ccms_peak/Sample_Swabs/Tomato-Swabs_L2D-B_EtOAc_P1-D-8_01_20747.mzXML
MSV000079099/ccms_peak/Sample_Swabs/Tomato-Swabs_L1A-ii-T_EtOAc_P1-B-3_01_20717.mzXML
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