Dataset

Tryptophan; LC-ESI-QFT; MS2; NEGATIVE; generated fron DDA dataset

This MassBank record with Accession MSBNK-SMB_Measured-HSA002P0203001 contains the MS2 mass spectrum of 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-SMB_Measured-HSA002P0203001
Version
Author
Maintainer
Language
MetadataPublished 2023-12-15
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
    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
    Molport-001-794-499 molport
    21974 bindingdb
    The data in this table is sourced from UniChem at EBI.