GNPS Library Spectrum CCMSLIB00004679278

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00004679278
Compound NameEmodin
PISang Hyun Sung
Data CollectorKyo BIn Kang
Pubmed18825536
CAS Number518-82-1
Original Submitterkbkang
Most Recent Revisorkbkang
Library QualityBronze Spectrum
SmilesCC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)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-LIBRARY:accession:CCMSLIB00004679278
Precursor M/Z269.045
Exact Mass270.053
Charge1
AdductM-H
Ion SourceLC-ESI
InstrumentqTof
Ion ModeNegative
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Library MembershipGNPS-LIBRARY
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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1CommentEmodinSang Hyun SungM-HKyo BIn Kang269.045kbkang18825536 2018-05-11 15:28:00.0
2CommentEmodinSang Hyun SungM-HKyo BIn Kang269.045kbkang32202018-05-09 15:13:22.0

Spectrum ID Ratings