GNPS Library Spectrum CCMSLIB00011431731

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00011431731
Compound NameHymenotamayonin E
PIJL Wolfender
Data CollectorLuis Quiros
Pubmed
CAS Number
Original Submitterquirosgu
Most Recent Revisorquirosgu
Library QualityBronze Spectrum
SmilesC/C(C)=C\CC1=CC([C@]([C@]23C/C=C(C)\C)([H])CC[C@@](C4=CC2=O)(C3=O)C[C@](O4)([H])C(C)=C)=CC(O)=C1OC
InChIInChI=1S/C31H38O5/c1-18(2)8-9-21-14-22(15-24(32)28(21)35-7)23-11-12-30-17-25(20(5)6)36-27(30)16-26(33)31(23,29(30)34)13-10-19(3)4/h8,10,14-16,23,25,32H,5,9,11-13,17H2,1-4,6-7H3/t23-,25+,30+,31+/m0/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00011431731
Precursor M/Z491.279
Exact Mass491.279
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentOrbitrap
Ion ModePositive
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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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1CommentHymenotamayonin EJL WolfenderM+HLuis Quiros491.279quirosgu 2023-07-27 05:15:23.0

Spectrum ID Ratings