GNPS Library Spectrum CCMSLIB00006514981

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272.0
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Latest Library Spectrum Information
Spectrum IDCCMSLIB00006514981
Compound NameDehydrolucidenic acid A, 20(21)-
PIBMDMS-NP
Data CollectorBMDMS-NP
CAS NumberN/A
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesO=C(O)CCC(=C)C1CC(=O)C2(C3=C(C(=O)CC12C)C4(C)CCC(=O)C(C)(C)C4CC3O)C
InChIInChI=1S/C27H36O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h15-16,18,28H,1,7-13H2,2-6H3,(H,32,33)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:BMDMS-NP:accession:CCMSLIB00006514981
Precursor M/Z479.24
Exact Mass456.251
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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1CommentDehydrolucidenic acid A, 20(21)-BMDMS-NP[M+Na]+BMDMS-NP479.24mwang87N/A2021-05-21 10:24:01.0

Spectrum ID Ratings