GNPS Library Spectrum CCMSLIB00005720348

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720348
Compound NameCREATINE
PIAndrew D. Patterson
Data CollectorPhilip Smith
Pubmed586
CAS Number 57-00-1
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesCN(CC(=O)O)C(=N)N
InChI"InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720348
Precursor M/Z132.077
Exact Mass131.069
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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1CommentCREATINEAndrew D. Patterson[M+H]+Philip Smith132.077mpanitchpakdi5862020-04-10 13:26:10.0

Spectrum ID Ratings