GNPS Library Spectrum CCMSLIB00000075308

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000075308
Compound NameKanamycin A
PIDorrestein/Moore
Data CollectorRoland Kersten
CAS NumberN/A
Original Submittermcruesemann
Most Recent Revisormcruesemann
Library QualityBronze Spectrum
SmilesO([C@@H]2[C@@H](O)[C@H](O[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](N)C[C@H]2N)[C@H]3O[C@@H]([C@@H](O)[C@H](N)[C@H]3O)CO
InChI"InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000075308
Precursor M/Z485.0
Exact Mass484.238
Charge1
AdductM+H
Ion SourceDI-ESI
InstrumentHybrid FT
Ion ModePositive
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Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-00di-0339212111-cec46ba91ef2abad5819
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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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1CommentKanamycin ADorrestein/MooreM+HRoland Kersten485.0mcruesemannN/A2014-04-09 13:17:51.0

Spectrum ID Ratings