GNPS Library Spectrum CCMSLIB00001058451

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00001058451
Compound NamePesticide4_Imazalil_C14H14Cl2N2O_Freshgard
PIDorrestein/Touboul
Data Collectorlfnothias
Pubmedn/a
CAS Number35554-44-0
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesC=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChIInChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-COLLECTIONS-PESTICIDES-POSITIVE:accession:CCMSLIB00001058451
Precursor M/Z297.055
Exact Mass296.048
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentQ-Exactive Plus Orbitrap Res 70k
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 Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentPesticide4_Imazalil_C14H14Cl2N2O_FreshgardDorrestein/TouboulM+Hlfnothias297.055mwang87n/a2017-03-21 12:14:30.0

Spectrum ID Ratings