GNPS Library Spectrum CCMSLIB00005436022

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005436022
Compound NamePivampicillin
PIKudzanai Tapfuma
Data Collector
Pubmed
CAS Number33817-20-8
Original Submitterkudzanai2003
Most Recent Revisorkudzanai2003
Library QualityBronze Spectrum
SmilesCC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)C(=O)OCOC(=O)C(C)(C)C)C
InChIInChI=1S/C22H29N3O6S/c1-21(2,3)20(29)31-11-30-19(28)15-22(4,5)32-18-14(17(27)25(15)18)24-16(26)13(23)12-9-7-6-8-10-12/h6-10,13-15,18H,11,23H2,1-5H3,(H,24,26)/t13-,14-,15+,18-/m1/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00005436022
Precursor M/Z486.168
Exact Mass0.0
Charge0
AdductM+Na
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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1CommentPivampicillinKudzanai TapfumaM+Na 486.168kudzanai2003 2019-06-15 20:23:02.0

Spectrum ID Ratings