GNPS Library Spectrum CCMSLIB00000845115

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000845115
Compound NameNCGC00347505-02!
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCOC1=CC=C(C=C1OC)C23CCNC2CC45OC6(O)CC7N4CCC7(C(C6)C5=C3)C8=CC=C(OC)C(OC)=C8
InChIInChI=1S/C32H38N2O6/c1-36-23-7-5-19(13-25(23)38-3)29-9-11-33-27(29)17-32-22(15-29)21-16-30(35,40-32)18-28-31(21,10-12-34(28)32)20-6-8-24(37-2)26(14-20)39-4/h5-8,13-15,21,27-28,33,35H,9-12,16-18H2,1-4H3
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE:accession:CCMSLIB00000845115
Precursor M/Z591.271
Exact Mass546.273
Charge1
AdductM+FA-H
Ion SourceLC-ESI
InstrumentMaxis II HD Q-TOF Bruker
Ion Modenegative
Provenance LCMS File ViewerView Provenance Full LCMS File
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE
SPLASH Keynull-null-null-null
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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
NCGC00347505-02
Jadhav/DorresteinM+FA-Hlfnothias591.271mwang87n/a2017-01-30 15:18:11.0

Spectrum ID Ratings