GNPS Library Spectrum CCMSLIB00000845017

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000845017
Compound NameNCGC00380168-01!3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCOC1=CC(C)=C(OC2=CC(OC)=CC(C)=C2OC3=CC(C)=CC(O)=C3O)C(O)=C1
InChIInChI=1S/C23H24O7/c1-12-6-17(24)21(26)19(7-12)29-23-14(3)9-16(28-5)11-20(23)30-22-13(2)8-15(27-4)10-18(22)25/h6-11,24-26H,1-5H3
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000845017
Precursor M/Z430.186
Exact Mass412.152
Charge1
AdductM+NH4
Ion SourceLC-ESI
InstrumentMaxis II HD Q-TOF Bruker
Ion Modepositive
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
SPLASH Keynull-null-null-null
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
NCGC00380168-01
3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol
Jadhav/DorresteinM+NH4lfnothias430.186mwang87n/a2017-01-30 15:16:07.0

Spectrum ID Ratings