Dataset

5-Fluorocytosine; LC-ESI-QFT; MS2; CE: 75%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00312105 contains the MS2 mass spectrum of 5-Fluorocytosine with the InChIkey XRECTZIEBJDKEO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
SMILES C1=NC(=O)NC(=C1F)N
InChI Key XRECTZIEBJDKEO-UHFFFAOYSA-N
Molecular Formula C4H4FN3O
Exact Mass 129.034 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-EQ00312105
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MetadataPublished 2024-05-08
Related Molecule
  • 6-amino-5-fluoro-1H-pyrimidin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01099 drugbank
    CHEBI:5100 chebi
    1LD rcsb_pdb
    CHEMBL1463 chembl
    1223489 surechembl
    14696800 surechembl
    24063 surechembl
    24064 surechembl
    3366 pubchem
    D83282DT06 fdasrs
    PD000417 probes_and_drugs
    MEBQEQ CCDC
    1252 brenda
    176865 brenda
    1LD - Ideal conformer pdbe
    HMDB0015231 hmdb
    Molport-000-155-561 molport
    Molport-002-317-353 molport
    Molport-003-990-777 molport
    1188 drugcentral
    50248003 bindingdb
    The data in this table is sourced from UniChem at EBI.