GNPS Library Spectrum CCMSLIB00003739955

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00003739955
Compound NameCezomycin
PIBandow
Data CollectorSenges
Pubmed
CAS Number83874-22-0
Original Submittermice
Most Recent Revisormice
Library QualityBronze Spectrum
SmilesCC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(C=CC=C5O4)C(=O)O
InChI1S/C28H34N2O6/c1-15-10-11-28(17(3)13-16(2)26(36-28)18(4)25(31)20-8-6-12-29-20)35-22(15)14-23-30-24-19(27(32)33)7-5-9-21(24)34-23/h5-9,12,15-18,22,26,29H,10-11,13-14H2,1-4H3,(H,32,33)/t15-,16?,17?,18?,22-,26+,28?/m1/s1
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00003739955
Precursor M/Z495.247
Exact Mass494.242
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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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentCezomycinBandowM+HSenges495.247mice 2017-10-12 00:13:17.0

Spectrum ID Ratings