GNPS Library Spectrum CCMSLIB00000849276

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000849276
Compound NameNCGC00347538-02_C21H26O5_15,16-Dimethoxytricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,17-triol
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCOC1=C(O)C2=CC(=C1OC)CCCCC(O)CCC3=CC=C(O)C2=C3
InChIInChI=1S/C21H26O5/c1-25-20-14-5-3-4-6-15(22)9-7-13-8-10-18(23)16(11-13)17(12-14)19(24)21(20)26-2/h8,10-12,15,22-24H,3-7,9H2,1-2H3
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000849276
Precursor M/Z359.185
Exact Mass358.178
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentMaxis II HD Q-TOF Bruker
Ion Modepositive
Provenance LCMS File ViewerView Provenance Full LCMS File
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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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1CommentNCGC00347538-02_C21H26O5_15,16-Dimethoxytricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,17-triolJadhav/DorresteinM+Hlfnothias359.185mwang87n/a2017-02-19 14:59:22.0

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