GNPS Library Spectrum CCMSLIB00006578913

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00006578913
Compound Name1,3,8-trihydroxy-6-methylanthra-9,10-quinone
PIBMDMS-NP
Data CollectorBMDMS-NP
CAS NumberN/A
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesO=C1C=2C=C(O)C=C(O)C2C(=O)C3=C(O)C=C(C=C13)C
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:BMDMS-NP:accession:CCMSLIB00006578913
Precursor M/Z293.04
Exact Mass270.053
Charge1
Adduct[M+Na]+
Ion SourceESI
InstrumentOrbitrap
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipBMDMS-NP
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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1Comment1,3,8-trihydroxy-6-methylanthra-9,10-quinoneBMDMS-NP[M+Na]+BMDMS-NP293.04mwang87N/A2021-05-21 10:24:01.0

Spectrum ID Ratings