GNPS Library Spectrum CCMSLIB00000075084

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000075084
Compound NameDidemnin Y
PIDorrestein/Moore
Data CollectorRoland Kersten
Pubmed
CAS Number
Original Submittermcruesemann
Most Recent Revisormcruesemann
Library QualityBronze Spectrum
Smiles
InChIO=C(N)CCC(NC(=O)C(CCC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C[C@@H](O)CCCCCCC)C(=O)NC(CCC(N)=O)C(=O)OC(C)C(=O)N1CCCC1C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H]3C(=O)N[C@H]([C@@H](O)CC(=O)O[C@@H](C(C)C)C(=O)[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)N(C)[C@@H](Cc2ccc(OC)cc2)C(=O)O[C@@H]3C)[C@@H](C)CC
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000075084
Precursor M/Z898.0
Exact Mass1794.01
Charge2
AdductM+H
Ion SourceDI-ESI
InstrumentIon Trap
Ion ModePositive
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Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-00ke-0021111942-21aac5ad12607ead52a8
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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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1CommentDidemnin YDorrestein/MooreM+HRoland Kersten898.0mcruesemann 2014-04-08 17:51:54.0

Spectrum ID Ratings