Dataset

5-Fluorouracil; LC-ESI-QFT; MS2; CE: 180%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00256609 contains the MS2 mass spectrum of 5-Fluorouracil with the InChIkey GHASVSINZRGABV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)
SMILES FC1=CNC(=O)NC1=O
InChI Key GHASVSINZRGABV-UHFFFAOYSA-N
Molecular Formula C4H3FN2O2
Exact Mass 130.018 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-Eawag-EQ00256609
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MetadataPublished 2024-06-14
Related Molecule
  • 5-fluoro-1H-pyrimidine-2,4-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00544 drugbank
    URF rcsb_pdb
    CHEMBL185 chembl
    3646 surechembl
    592897 surechembl
    3385 pubchem
    U3P01618RT fdasrs
    4789 gtopdb
    PD002327 probes_and_drugs
    FURACL CCDC
    155282 brenda
    176866 brenda
    190396 brenda
    229064 brenda
    229065 brenda
    51649 brenda
    812 brenda
    84162 brenda
    URF - Ideal conformer pdbe
    CHEBI:46345 chebi
    HMDB0014684 hmdb
    Molport-000-156-102 molport
    Molport-003-990-447 molport
    26 drugcentral
    50340677 bindingdb
    The data in this table is sourced from UniChem at EBI.