GNPS Library Spectrum CCMSLIB00000075306

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000075306
Compound NameErythromycin A
PIDorrestein/Moore
Data CollectorRoland Kersten
CAS NumberN/A
Original Submittermcruesemann
Most Recent Revisormcruesemann
Library QualityBronze Spectrum
SmilesCC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O
InChI"InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000075306
Precursor M/Z734.5
Exact Mass733.461
Charge1
AdductM+H
Ion SourceDI-ESI
InstrumentHybrid FT
Ion ModePositive
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Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-056r-1195478423-a6488f4142a514bb6e82
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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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1CommentErythromycin ADorrestein/MooreM+HRoland Kersten734.5mcruesemannN/A2014-04-09 13:17:51.0

Spectrum ID Ratings