GNPS Library Spectrum CCMSLIB00005720341

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720341
Compound NameCARNOSINE
PIAndrew D. Patterson
Data CollectorPhilip Smith
Pubmed439224
CAS Number 305-84-0
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN
InChI"InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720341
Precursor M/Z227.114
Exact Mass226.107
Charge1
Adduct[M+H]+
Ion SourceESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
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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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1CommentCARNOSINEAndrew D. Patterson[M+H]+Philip Smith227.114mpanitchpakdi4392242020-04-10 13:26:10.0

Spectrum ID Ratings