GNPS Library Spectrum CCMSLIB00001058217

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00001058217
Compound NamePesticide3_Propoxur_C11H15NO3_Baygon
PIDorrestein/Touboul
Data Collectorlfnothias
Pubmedn/a
CAS Number114-26-1
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCC(C)OC1=CC=CC=C1OC(=O)NC
InChIInChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-COLLECTIONS-PESTICIDES-POSITIVE:accession:CCMSLIB00001058217
Precursor M/Z210.112
Exact Mass209.105
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentQ-Exactive Plus Orbitrap Res 14k
Ion Modepositive
Provenance LCMS File ViewerView Provenance Full LCMS File
Spectrum Provenance Input FileDownload Provenance File
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Library MembershipGNPS-COLLECTIONS-PESTICIDES-POSITIVE
SPLASH Keynull-null-null-null
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Spectrum Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentPesticide3_Propoxur_C11H15NO3_BaygonDorrestein/TouboulM+Hlfnothias210.112mwang87n/a2017-03-21 12:10:26.0

Spectrum ID Ratings