GNPS Library Spectrum CCMSLIB00000855316

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000855316
Compound NameNCGC00380288-01_C21H26O5_Tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 16,17-dimethoxy-
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Number33606-81-4
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCOC1=C(OC)C2=CC(=C1O)CCCCC(O)CCC3=CC2=C(O)C=C3
InChIInChI=1S/C21H26O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/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:CCMSLIB00000855316
Precursor M/Z400.212
Exact Mass358.178
Charge1
AdductM+ACN+H
Ion SourceLC-ESI
InstrumentMaxis II HD Q-TOF Bruker
Ion Modepositive
Provenance LCMS File ViewerView Provenance Full LCMS File
Spectrum Provenance Input FileDownload Provenance 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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1CommentNCGC00380288-01_C21H26O5_Tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 16,17-dimethoxy-Jadhav/DorresteinM+ACN+Hlfnothias400.212mwang87n/a2017-02-19 14:59:22.0

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