GNPS Library Spectrum CCMSLIB00000579378

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000579378
Compound NameAnthraflavic acid
PICASMI
Data CollectorCASMI2016
Pubmed2678
CAS NumberN/A
Original Submitterlfnothias
Most Recent Revisorlfnothias
Library QualityGold Spectrum
SmilesOC1=CC=C2C(=O)C3=CC(O)=CC=C3C(=O)C2=C1
InChI"InChI=1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:CASMI:accession:CCMSLIB00000579378
Precursor M/Z239.035
Exact Mass0.0
Charge1
AdductM-H
Ion SourceLC-ESI
InstrumentOrbitrap
Ion Mode Negative
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipCASMI
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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1CommentAnthraflavic acidCASMIM-HCASMI2016239.035lfnothias26782016-05-24 18:27:20.0

Spectrum ID Ratings