Dataset

3,4-Dihydroxy-L-phenylalanine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01812 contains the MS2 mass spectrum of 3,4-Dihydroxy-L-phenylalanine with the InChIkey WTDRDQBEARUVNC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)
SMILES C1=CC(=C(C=C1CC(C(=O)O)N)O)O
InChI Key WTDRDQBEARUVNC-UHFFFAOYSA-N
Molecular Formula C9H11NO4
Exact Mass 197.069 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-BML01812
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-6834245595 Mcule
    58663891 PubChem
    20039638 NMRShiftDB
    97588 Brenda
    93253 Brenda
    108244 Brenda
    49008 Brenda
    HMDB0000609 Human Metabolome Database
    MTBLC49168 Metabolights
    107593 Brenda
    4886 Brenda
    121923 Brenda
    836 PubChem
    PD041841 ProbesDrugs
    15120912 PubChem: Thomson Pharma
    59-92-7 ACToR
    SCHEMBL24360 SureChEMBL
    63-84-3 ACToR
    477728 eMolecules
    49168 ChEBI
    CHEMBL351042 ChEMBL
    HY-113404 MedChemExpress
    QI9C343R60 FDA SRS
    DTXSID8020549 EPA CompTox Dashboard
    J128.150J Nikkaji
    LDOPAS CCDC
    4377 BindingDB
    CB1327115 ChemicalBook
    56256 Brenda
    The data in this table is sourced from UniChem at EBI.