GNPS Library Spectrum CCMSLIB00005720342

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720342
Compound NameNICOTINAMIDE
PIAndrew D. Patterson
Data CollectorPhilip Smith
Pubmed936
CAS Number 98-92-0
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC1=CC(=CN=C1)C(=O)N
InChI"InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720342
Precursor M/Z123.056
Exact Mass122.048
Charge1
Adduct[M+H]+
Ion SourceESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipPSU-MSMLS
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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1CommentNICOTINAMIDEAndrew D. Patterson[M+H]+Philip Smith123.056mpanitchpakdi9362020-04-10 13:26:10.0

Spectrum ID Ratings