Dataset

L-Tryptophan; LC-ESI-ITFT; MS2; m/z:188.07; POS

This MassBank record with Accession MSBNK-NAIST-KNA00241 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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NAIST-KNA00241
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
    229596 Brenda
    21974 BindingDB
    TRYPTOPHAN DailyMed
    TRYPTOPHAN rxnorm
    L-TRYPTOPHAN clinicaltrials
    TRYPTOPHAN clinicaltrials
    HY-N0623 MedChemExpress
    DTXSID5021419 EPA CompTox Dashboard
    2780 DrugCentral
    ZINC000000083315 ZINC
    J9.181B Nikkaji
    VIXQOK CCDC
    SCHEMBL23141133 SureChEMBL
    DB00150 DrugBank
    24714971 PubChem: Drugs of the Future
    C00078 KEGG Ligand
    CHEMBL54976 ChEMBL
    717 Guide to Pharmacology
    57912 ChEBI
    16828 ChEBI
    TRP PDBe
    6923516 PubChem
    15195597 PubChem: Thomson Pharma
    6305 PubChem
    60018670 NMRShiftDB
    14916602 PubChem: Thomson Pharma
    PD002096 ProbesDrugs
    8DUH1N11BX FDA SRS
    trp_L Recon
    6912-86-3 ACToR
    260101 Brenda
    26755894 eMolecules
    533030 eMolecules
    MTBLC16828 Metabolights
    PA10323 PharmGKB
    MTBLC57912 Metabolights
    420 Brenda
    107452 Brenda
    817 Brenda
    119 Brenda
    888 Brenda
    107453 Brenda
    HMDB0000929 Human Metabolome Database
    57912 Rhea
    CB3750054 ChemicalBook
    tryptophan DailyMed
    MCULE-3721322622 Mcule
    SCHEMBL7328 SureChEMBL
    MCULE-8004234494 Mcule
    The data in this table is sourced from UniChem at EBI.