Dataset

Tryptophan; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00631 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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00631
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
    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
    1041873 bindingdb
    328035 bindingdb
    328831 bindingdb
    50070301 bindingdb
    50556462 bindingdb
    50556468 bindingdb
    50556474 bindingdb
    50832981 bindingdb
    50923245 bindingdb
    51096242 bindingdb
    51129392 bindingdb
    51226595 bindingdb
    51278697 bindingdb
    51341570 bindingdb
    51341571 bindingdb
    51403500 bindingdb
    Molport-001-794-499 molport
    The data in this table is sourced from UniChem at EBI.