GNPS Library Spectrum CCMSLIB00003739948

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00003739948
Compound NameErythromycin
PIBandow
Data CollectorSenges
Pubmed
CAS Number114-07-8
Original Submittermice
Most Recent Revisormice
Library QualityBronze Spectrum
SmilesCCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O
InChI1S/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:CCMSLIB00003739948
Precursor M/Z734.467
Exact Mass733.461
Charge0
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-LIBRARY
SPLASH Keynull-null-null-null
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Spectrum Tags

Datasets ID
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TypeDescriptionDatabaseURLURLRemove Tag
checked only
1Drug ClassAntibioticlinkout

Spectrum Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
checked only
1CommentErythromycinBandowM+HSenges734.467mice 2017-10-11 23:02:17.0

Spectrum ID Ratings