GNPS Library Spectrum CCMSLIB00003739949

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00003739949
Compound NameErythromycin A enol ether
PIBandow
Data CollectorSenges
Pubmed
CAS Number33396-29-1
Original Submittermice
Most Recent Revisormice
Library QualityBronze Spectrum
SmilesCCC1C(C(C(C2=C(CC(O2)(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)C)C)C)O)(C)O
InChI1S/C37H65NO12/c1-14-25-37(10,43)30(40)20(4)28-18(2)16-36(9,50-28)32(49-34-27(39)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)47-25)48-26-17-35(8,44-13)31(41)23(7)46-26/h19-27,29-32,34,39-41,43H,14-17H2,1-13H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00003739949
Precursor M/Z716.463
Exact Mass715.451
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 Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentErythromycin A enol ether BandowM+HSenges716.463mice 2017-10-11 23:06:51.0

Spectrum ID Ratings