GNPS Library Spectrum CCMSLIB00001058251

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00001058251
Compound NamePesticide3_Forchlorfenuron_C12H10ClN3O_Urea, N-(2-chloro-4-pyridinyl)-N'-phenyl-
PIDorrestein/Touboul
Data Collectorlfnothias
Pubmedn/a
CAS Number68157-60-8
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesC1=CC=C(C=C1)NC(=O)NC2=CC(=NC=C2)Cl
InChIInChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-COLLECTIONS-PESTICIDES-NEGATIVE:accession:CCMSLIB00001058251
Precursor M/Z292.049
Exact Mass247.051
Charge1
AdductM+FA-H
Ion SourceLC-ESI
InstrumentQ-Exactive Plus Orbitrap Res 70k
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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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentPesticide3_Forchlorfenuron_C12H10ClN3O_Urea, N-(2-chloro-4-pyridinyl)-N'-phenyl-Dorrestein/TouboulM+FA-Hlfnothias292.049mwang87n/a2017-03-21 12:12:25.0

Spectrum ID Ratings