GNPS Library Spectrum CCMSLIB00005720336

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720336
Compound NameALANINE
PIAndrew D. Patterson
Data CollectorPhilip Smith
Pubmed5950
CAS Number 56-41-7
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC[C@@H](C(=O)O)N
InChI"InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720336
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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1CommentALANINEAndrew D. Patterson[M+H]+Philip Smith90.0555mpanitchpakdi59502020-04-10 13:26:10.0

Spectrum ID Ratings