GNPS Library Spectrum CCMSLIB00001058270

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00001058270
Compound NamePesticide3_Bifenazate_C17H20N2O3_1-Methylethyl 2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylate
PIDorrestein/Touboul
Data Collectorlfnothias
Pubmedn/a
CAS Number149877-41-8
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCC(C)OC(=O)NNC1=C(C=CC(=C1)C2=CC=CC=C2)OC
InChIInChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-COLLECTIONS-PESTICIDES-POSITIVE:accession:CCMSLIB00001058270
Precursor M/Z323.136
Exact Mass300.147
Charge1
AdductM+Na
Ion SourceLC-ESI
InstrumentQ-Exactive Plus Orbitrap Res 14k
Ion Modepositive
Provenance LCMS File ViewerView Provenance Full LCMS File
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Library MembershipGNPS-COLLECTIONS-PESTICIDES-POSITIVE
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_Bifenazate_C17H20N2O3_1-Methylethyl 2-(4-methoxybiphenyl-3-yl)hydrazinecarboxylateDorrestein/TouboulM+Nalfnothias323.136mwang87n/a2017-03-21 12:10:26.0

Spectrum ID Ratings