GNPS Library Spectrum CCMSLIB00005720343

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720343
Compound NamePHENYLALANINE
PIAndrew D. Patterson
Data CollectorPhilip Smith
Pubmed6140
CAS Number 63-91-2
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC1=CC=C(C=C1)C[C@@H](C(=O)O)N
InChI"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720343
Precursor M/Z166.087
Exact Mass165.079
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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1CommentPHENYLALANINEAndrew D. Patterson[M+H]+Philip Smith166.087mpanitchpakdi61402020-04-10 13:26:10.0

Spectrum ID Ratings