GNPS Library Spectrum CCMSLIB00004679300

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00004679300
Compound NamePutative orfamide C
PIDorrestein
Data Collectoramcaraballor
CAS NumberN/A
Original Submitteramcaraballor
Most Recent Revisoramcaraballor
Library QualityBronze Spectrum
SmilesCCCCCCCCCC(O)CC(NC(C(NC(C(NC1C(C)OC(C(C(C)C)NC(C(CO)NC(C(CC(C)C)NC(C(CC(C)C)NC(C(CO)NC(C(CC(C)C)NC(C(C(CC)C)NC1=O)=O)=O)=O)=O)=O)=O)=O)=O)CCC(O)=O)=O)CC(C)C)=O
InChIInChI=1S/C62H110N10O17/c1-15-17-18-19-20-21-22-23-40(75)30-48(76)63-42(26-33(3)4)54(80)64-41(24-25-49(77)78)53(79)72-52-39(14)89-62(88)50(37(11)12)70-59(85)47(32-74)69-56(82)44(28-35(7)8)65-55(81)43(27-34(5)6)66-58(84)46(31-73)68-57(83)45(29-36(9)10)67-60(86)51(38(13)16-2)71-61(52)87/h33-47,50-52,73-75H,15-32H2,1-14H3,(H,63,76)(H,64,80)(H,65,81)(H,66,84)(H,67,86)(H,68,83)(H,69,82)(H,70,85)(H,71,87)(H,72,79)(H,77,78)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00004679300
Precursor M/Z1267.81
Exact Mass1266.8
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-LIBRARY
SPLASH Keynull-null-null-null
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Spectrum Annotation History

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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentPutative orfamide CDorresteinM+Hamcaraballor1267.81amcaraballorN/A2018-05-27 14:05:51.0

Spectrum ID Ratings