GNPS Library Spectrum CCMSLIB00000850681

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000850681
Compound NameNCGC00381179-01_C17H14O4_
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesOC1=CC=C(C=C1)C/2OC(=O)C(=C2O)/CC3=CC=CC=C3
InChIInChI=1S/C17H14O4/c18-13-8-6-12(7-9-13)16-15(19)14(17(20)21-16)10-11-4-2-1-3-5-11/h1-9,16,18-19H,10H2
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000850681
Precursor M/Z265.085
Exact Mass282.089
Charge1
AdductM-H2O+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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1CommentNCGC00381179-01_C17H14O4_Jadhav/DorresteinM-H2O+Hlfnothias265.085mwang87n/a2017-02-19 14:59:22.0

Spectrum ID Ratings