Dataset

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

This MassBank record with Accession MSBNK-Eawag-EQ00312155 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-EQ00312155
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Maintainer
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MetadataPublished 2024-05-08
Related Molecule
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    • Field Value
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    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 pdbe
    HMDB0015231 hmdb
    DTXSID3023059 comptox
    NCT00000776 clinicaltrials
    NCT00012467 clinicaltrials
    NCT00847678 clinicaltrials
    NCT00978107 clinicaltrials
    NCT01172964 clinicaltrials
    NCT01562132 clinicaltrials
    NCT01562626 clinicaltrials
    NCT01715922 clinicaltrials
    NCT02015819 clinicaltrials
    NCT03294486 clinicaltrials
    NCT03724071 clinicaltrials
    NCT04140461 clinicaltrials
    NCT04194034 clinicaltrials
    NCT04327011 clinicaltrials
    NCT06178627 clinicaltrials
    NCT06414512 clinicaltrials
    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.