Dataset

L-Tryptophan; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01191 contains the MS2 mass spectrum of L-Tryptophan with the InChIkey QIVBCDIJIAJPQS-UHFFFAOYSA-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)
SMILES C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
InChI Key QIVBCDIJIAJPQS-UHFFFAOYSA-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-Washington_State_Univ-BML01191
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 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
    484485 eMolecules
    PD039179 ProbesDrugs
    14941072 PubChem: Thomson Pharma
    64554 ChEBI
    1148 PubChem
    4099458 PubChem
    10016970 NMRShiftDB
    MCULE-5675773208 Mcule
    SCHEMBL7327 SureChEMBL
    SCHEMBL19161120 SureChEMBL
    MTBLC27897 Metabolights
    CB6107772 ChemicalBook
    109814 Brenda
    HMDB0030396 Human Metabolome Database
    13059 Brenda
    195522 Brenda
    27897 ChEBI
    C00806 KEGG Ligand
    CHEMBL484901 ChEMBL
    92685 BindingDB
    DEZHIZ CCDC
    DTXSID0021418 EPA CompTox Dashboard
    HY-W012480 MedChemExpress
    LSM-36836 LINCS
    SCHEMBL23141136 SureChEMBL
    J314.694D Nikkaji
    X9U7434L7A FDA SRS
    MTBLC64554 Metabolights
    The data in this table is sourced from UniChem at EBI.