GNPS Library Spectrum CCMSLIB00001058300

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00001058300
Compound NamePesticide3_Lufenuron_C17H8Cl2F8N2O3_N-[[[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluorobenzamide
PIDorrestein/Touboul
Data Collectorlfnothias
Pubmedn/a
CAS Number103055-07-8
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesC1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F
InChIInChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-COLLECTIONS-PESTICIDES-NEGATIVE:accession:CCMSLIB00001058300
Precursor M/Z508.971
Exact Mass509.978
Charge1
AdductM-H
Ion SourceLC-ESI
InstrumentMaxis HD qTOF
Ion Modenegative
Provenance LCMS File ViewerView Provenance Full LCMS File
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Library MembershipGNPS-COLLECTIONS-PESTICIDES-NEGATIVE
SPLASH Keynull-null-null-null
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentPesticide3_Lufenuron_C17H8Cl2F8N2O3_N-[[[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluorobenzamideDorrestein/TouboulM-Hlfnothias508.971mwang87n/a2017-03-21 12:15:00.0

Spectrum ID Ratings