GNPS Library Spectrum CCMSLIB00000429792

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000429792
Compound NameAmphotericin A
PIMonica T Pupo
Data Collectoramcaraballor
Pubmed
CAS Number1405-32-9
Original Submitteramcaraballor
Most Recent Revisoramcaraballor
Library QualityBronze Spectrum
SmilesCC1/C=C\C=C\CC/C=C/C=C/C=C/C=C/C(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O
InChIInChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8-,13-11-,14-12+,17-15+,18-16+
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000429792
Precursor M/Z926.0
Exact Mass925.503
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-006t-0396224101-d0813952222672abb1be
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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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1CommentAmphotericin AMonica T PupoM+Hamcaraballor926.0amcaraballor 2015-03-23 14:43:21.0

Spectrum ID Ratings