GNPS Library Spectrum CCMSLIB00006710029

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00006710029
Compound NameNgercheumicin I
PIGurevich
Data Collectorlfnothias
Pubmed
CAS Number
Original Submitterlfnothias
Most Recent Revisorlfnothias
Library QualityBronze Spectrum
SmilesCCCCCCCCCCCCCC(CC(=O)NC(CC(C)C)C(=O)N[C@H]1[C@@H](OC(=O)C(NC(=O)C(NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CO)[C@H](C)O)CC(C)C)CC(C)C)C)O
InChIInChI=1S/C45H82N6O11/c1-10-11-12-13-14-15-16-17-18-19-20-21-32(54)25-37(55)46-33(22-27(2)3)41(57)51-39-31(9)62-45(61)35(24-29(6)7)48-40(56)34(23-28(4)5)47-43(59)38(30(8)53)50-42(58)36(26-52)49-44(39)60/h27-36,38-39,52-54H,10-26H2,1-9H3,(H,46,55)(H,47,59)(H,48,56)(H,49,60)(H,50,58)(H,51,57)/t30-,31-,32?,33?,34?,35?,36+,38-,39-/m0/s1
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00006710029
Precursor M/Z883.618
Exact Mass0.0
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentOrbitrap
Ion ModePositive
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Library MembershipGNPS-LIBRARY
SPLASH Keynull-null-null-null
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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentNgercheumicin IGurevichM+Hlfnothias883.618lfnothias 2021-08-18 08:32:53.0

Spectrum ID Ratings