GNPS Library Spectrum CCMSLIB00005720324

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720324
Compound NameBETA-ALANINE
PIAndrew D. Patterson
Data CollectorPhilip Smith
Pubmed239
CAS Number 107-95-9
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC(CN)C(=O)O
InChI"InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720324
Precursor M/Z90.0555
Exact Mass89.0477
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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1CommentBETA-ALANINEAndrew D. Patterson[M+H]+Philip Smith90.0555mpanitchpakdi2392020-04-10 13:26:10.0

Spectrum ID Ratings