Dataset

TRYPTOPHAN; LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_P103401_F638 contains the MS2 mass spectrum of TRYPTOPHAN with the InChIkey QIVBCDIJIAJPQS-SECBINFHSA-N.

Chemical Information

molecular Image
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-/m1/s1
SMILES N[C@H](CC1=CNC2=CC=CC=C12)C(O)=O
InChI Key QIVBCDIJIAJPQS-SECBINFHSA-N
Molecular Formula C11H12N2O2
Exact Mass 204.090 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_P103401_F638
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MetadataPublished 2021-12-10
Related Molecule
  • (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB03225 drugbank
    CHEBI:16296 chebi
    CHEBI:57719 chebi
    DTR rcsb_pdb
    CHEMBL292303 chembl
    29350338 surechembl
    92677 surechembl
    6923517 pubchem
    9060 pubchem
    PD001170 probes_and_drugs
    BEBCAP CCDC
    1728 brenda
    821 brenda
    7NS97N9H1G fdasrs
    HMDB0013609 hmdb
    50070304 bindingdb
    51129373 bindingdb
    51341572 bindingdb
    51403501 bindingdb
    The data in this table is sourced from UniChem at EBI.