GNPS Library Spectrum CCMSLIB00000845114

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000845114
Compound NameNCGC00163378-03!
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCC1=C2C3=C(C)C=C(O)C4=C3C5=C6C2=C(C(O)=C1)C(=O)C7=C6C(=C(O)C=C7O)C8=C5C(C4=O)=C(O)C=C8O
InChIInChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE:accession:CCMSLIB00000845114
Precursor M/Z503.078
Exact Mass504.085
Charge1
AdductM-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 Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
NCGC00163378-03
Jadhav/DorresteinM-Hlfnothias503.078mwang87n/a2017-01-30 15:18:11.0

Spectrum ID Ratings