GNPS Library Spectrum CCMSLIB00000848899

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000848899
Compound NameNCGC00177162-03!6-methoxy-2-phenylchromen-4-one
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCOC1=CC2=C(OC(=CC2=O)C3=CC=CC=C3)C=C1
InChIInChI=1S/C16H12O3/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-10H,1H3
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000848899
Precursor M/Z253.086
Exact Mass252.079
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentMaxis II HD Q-TOF Bruker
Ion Modepositive
Provenance LCMS File ViewerView Provenance Full LCMS File
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_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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1Comment
NCGC00177162-03
6-methoxy-2-phenylchromen-4-one
Jadhav/DorresteinM+Hlfnothias253.086mwang87n/a2017-01-30 15:16:07.0

Spectrum ID Ratings