GNPS Library Spectrum CCMSLIB00005720337

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720337
Compound NameTRYPTOPHAN
PIAndrew D. Patterson
Data CollectorPhilip Smith
Pubmed6305
CAS Number 73-22-3
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N
InChI"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720337
Precursor M/Z205.098
Exact Mass204.09
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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1CommentTRYPTOPHANAndrew D. Patterson[M+H]+Philip Smith205.098mpanitchpakdi63052020-04-10 13:26:10.0

Spectrum ID Ratings