Dataset

6-Fluoro-DL-tryptophan; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01569 contains the MS2 mass spectrum of 6-Fluoro-DL-tryptophan with the InChIkey YMEXGEAJNZRQEH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)
SMILES C1=CC2=C(C=C1F)NC=C2CC(C(=O)O)N
InChI Key YMEXGEAJNZRQEH-UHFFFAOYSA-N
Molecular Formula C11H11FN2O2
Exact Mass 222.080 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-BML01569
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    522657 PubChem
    PD017652 ProbesDrugs
    15341314 PubChem: Thomson Pharma
    SCHEMBL248870 SureChEMBL
    182183 ChEBI
    538480 eMolecules
    MCULE-1286010028 Mcule
    94937 PubChem
    9082 Brenda
    173393 Brenda
    132672 Brenda
    29966 Brenda
    4677 Brenda
    CHEMBL472222 ChEMBL
    HMDB0247058 Human Metabolome Database
    3I7LZ8M32B FDA SRS
    SCHEMBL18029199 SureChEMBL
    J3.016.033I Nikkaji
    5126 Guide to Pharmacology
    CB3764974 ChemicalBook
    DTXSID00874167 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.