GNPS Library Spectrum CCMSLIB00001058275

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00001058275
Compound NamePesticide3_Fenoxycarb_C17H19NO4_[2-(4-Phenoxyphenoxy)ethyl]carbamic acid ethyl ester
PIDorrestein/Touboul
Data Collectorlfnothias
Pubmedn/a
CAS Number79127-80-3
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2
InChIInChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-COLLECTIONS-PESTICIDES-POSITIVE:accession:CCMSLIB00001058275
Precursor M/Z302.138
Exact Mass301.131
Charge1
AdductM+H
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_Fenoxycarb_C17H19NO4_[2-(4-Phenoxyphenoxy)ethyl]carbamic acid ethyl esterDorrestein/TouboulM+Hlfnothias302.138mwang87n/a2017-03-21 12:10:26.0

Spectrum ID Ratings