GNPS Library Spectrum CCMSLIB00005463670

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005463670
Compound NameNakijiquinone O
PIVinayak Agarwal
Data CollectorIpsita Mohanty
Pubmed
CAS Number
Original Submittermohantyipsita92
Most Recent Revisormohantyipsita92
Library QualityBronze Spectrum
SmilesCC(CNC(C(C(CC1(C)C(C)CCC2(C)C(C)=CCCC21)=C3O)=O)=CC3=O)C
InChIInChI=1S/C25H37NO3/c1-15(2)14-26-19-12-20(27)23(29)18(22(19)28)13-25(6)17(4)10-11-24(5)16(3)8-7-9-21(24)25/h8,12,15,17,21,26,29H,7,9-11,13-14H2,1-6H3
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00005463670
Precursor M/Z400.283
Exact Mass399.277
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
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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1CommentNakijiquinone OVinayak AgarwalM+HIpsita Mohanty400.283mohantyipsita92 2019-09-30 07:17:11.0

Spectrum ID Ratings