GNPS Library Spectrum CCMSLIB00005720349

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720349
Compound Name"3,4-DIHYDROXY-1-PHENYLALANINE"
PIAndrew D. Patterson
Data CollectorPhilip Smith
Pubmed6047
CAS Number 59-92-7
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O
InChI"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720349
Precursor M/Z198.077
Exact Mass197.069
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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1Comment"3,4-DIHYDROXY-1-PHENYLALANINE"Andrew D. Patterson[M+H]+Philip Smith198.077mpanitchpakdi60472020-04-10 13:26:10.0

Spectrum ID Ratings