GNPS Library Spectrum CCMSLIB00000845033

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000845033
Compound NameNCGC00385656-01!9-(1H-indol-3-ylmethyl)-6,12-dimethyl-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCC(C)C1NC(=O)C(C)NC(=O)C(CC2=CNC3=C2C=CC=C3)NC(=O)C(C)NC(=O)CNC1=O
InChIInChI=1S/C24H32N6O5/c1-12(2)20-24(35)26-11-19(31)27-13(3)21(32)29-18(23(34)28-14(4)22(33)30-20)9-15-10-25-17-8-6-5-7-16(15)17/h5-8,10,12-14,18,20,25H,9,11H2,1-4H3,(H,26,35)(H,27,31)(H,28,34)(H,29,32)(H,30,33)
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000845033
Precursor M/Z485.25
Exact Mass484.243
Charge1
AdductM+H
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
NCGC00385656-01
9-(1H-indol-3-ylmethyl)-6,12-dimethyl-3-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
Jadhav/DorresteinM+Hlfnothias485.25mwang87n/a2017-01-30 15:16:07.0

Spectrum ID Ratings