GNPS Library Spectrum CCMSLIB00000223998

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000223998
Compound NameAmphotericin B
PIMonica T Pupo
Data CollectorMauricio Caraballo
Pubmed
CAS Number1397-89-3
Original Submitteramcaraballor
Most Recent Revisoramcaraballor
Library QualityBronze Spectrum
SmilesC[C@H]([C@@H](O)[C@H]([C@@H](OC(C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C1)=O)C)C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@H]2[C@@H](O)[C@@H](N)[C@H](O)[C@H](C)O2)C[C@@H]3O[C@@]1(O)C[C@H](O)[C@H]3C(O)=O
InChIInChI=1S/C47H73NO17/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/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,37-,38-,40?,41-,42+,43+,44-,46-,47+/m0/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000223998
Precursor M/Z924.0
Exact Mass923.488
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentHybrid FT
Ion ModePositive
Provenance LCMS File ViewerView Provenance Full LCMS File
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Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-0a4i-0000000029-3f11f12acb513066dbef
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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 BMonica T PupoM+HMauricio Caraballo924.0amcaraballor 2014-10-14 23:48:43.0

Spectrum ID Ratings