GNPS Library Spectrum CCMSLIB00000081680

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000081680
Compound NameAphidicolin
PINorberto Lopes
Data CollectorMonica Pupo
CAS Number38966-21-1
Original Submitterrsilva
Most Recent Revisorrsilva
Library QualityBronze Spectrum
SmilesOC[C@@]1(O)CC[C@]23[C@](CC[C@]4([H])[C@]2(C)CC[C@@H](O)[C@@]4(C)CO)([H])C[C@@]1(C3)[H]
InChIInChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000081680
Precursor M/Z361.204
Exact Mass338.246
Charge1
AdductM+Na
Ion SourceDI-ESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
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Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-03di-0898000000-a44a30192db3c23b3313
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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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1CommentAphidicolinNorberto LopesM+NaMonica Pupo361.204rsilvaN/A2014-05-27 12:26:35.0

Spectrum ID Ratings