Dataset

L-Tryptophan; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

This MassBank record with Accession MSBNK-Keio_Univ-KO004073 contains the MS2 mass spectrum of L-Tryptophan with the InChIkey QIVBCDIJIAJPQS-VIFPVBQESA-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-/m0/s1
SMILES C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N
InChI Key QIVBCDIJIAJPQS-VIFPVBQESA-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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Keio_Univ-KO004073
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (2S)-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
    DB00150 drugbank
    CHEBI:16828 chebi
    CHEBI:57912 chebi
    LTR rcsb_pdb
    TRP rcsb_pdb
    CHEMBL54976 chembl
    23141133 surechembl
    7328 surechembl
    6305 pubchem
    6923516 pubchem
    8DUH1N11BX fdasrs
    TRP pdbe
    PD002096 probes_and_drugs
    VIXQOK CCDC
    107452 brenda
    107453 brenda
    119 brenda
    183728 brenda
    229596 brenda
    260101 brenda
    420 brenda
    817 brenda
    888 brenda
    HMDB0000929 hmdb
    DTXSID5021419 comptox
    NCT00000324 clinicaltrials
    NCT00202124 clinicaltrials
    NCT00567931 clinicaltrials
    NCT00739609 clinicaltrials
    NCT00865202 clinicaltrials
    NCT01042535 clinicaltrials
    NCT01191216 clinicaltrials
    NCT02018588 clinicaltrials
    NCT02051530 clinicaltrials
    NCT02051569 clinicaltrials
    NCT02067975 clinicaltrials
    NCT02184832 clinicaltrials
    NCT02184832 clinicaltrials
    NCT02402179 clinicaltrials
    NCT02612259 clinicaltrials
    NCT02618824 clinicaltrials
    NCT04013555 clinicaltrials
    NCT05586789 clinicaltrials
    Molport-001-794-499 molport
    21974 bindingdb
    The data in this table is sourced from UniChem at EBI.