Dataset

5-FLUOROURACIL; CI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005568 contains the MS 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 O=C(N1)NC(=O)C(F)=C1
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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005568
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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 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.