GNPS Library Spectrum CCMSLIB00003739947

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00003739947
Compound NameCalcimycin
PIBandow
Data CollectorSenges
Pubmed
CAS Number52665-69-7
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(O4)C=CC(=C5C(=O)O)NC
InChI1S/C29H37N3O6/c1-15-10-11-29(17(3)13-16(2)27(38-29)18(4)26(33)20-7-6-12-31-20)37-22(15)14-23-32-25-21(36-23)9-8-19(30-5)24(25)28(34)35/h6-9,12,15-18,22,27,30-31H,10-11,13-14H2,1-5H3,(H,34,35)/t15-,16+,17+,18?,22-,27-,29?/m0/s1
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00003739947
Precursor M/Z524.274
Exact Mass523.268
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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1CommentCalcimycinBandowM+HSenges524.274mice 2017-10-11 22:51:41.0

Spectrum ID Ratings