GNPS Library Spectrum CCMSLIB00000845961

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000845961
Compound NameNCGC00015420-11!1,3,8-trihydroxy-6-methylanthracene-9,10-dione
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCC1=CC2=C(C(O)=C1)C(=O)C3=C(C=C(O)C=C3O)C2=O
InChIInChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000845961
Precursor M/Z271.06
Exact Mass270.053
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 Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
NCGC00015420-11
1,3,8-trihydroxy-6-methylanthracene-9,10-dione
Jadhav/DorresteinM+Hlfnothias271.06mwang87n/a2017-01-30 15:16:07.0

Spectrum ID Ratings