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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Maintainer
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MetadataPublished 2024-05-08
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    Data-Source Molecule ID Data-Source
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    HY-B0139 MedChemExpress
    FLUCYTOSINE clinicaltrials
    RO-2-9915 clinicaltrials
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    ANCOBON clinicaltrials
    50248003 BindingDB
    FLUCYTOSINE rxnorm
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    FLUCYTOSINE DailyMed
    CHEMBL1463 ChEMBL
    SAM001246753 NIH Clinical Collection
    5100 ChEBI
    DB01099 DrugBank
    CB6744939 ChemicalBook
    ZINC000000896546 ZINC
    flucytosine DailyMed
    1252 Brenda
    HMDB0015231 Human Metabolome Database
    3366 PubChem
    MCULE-7094058995 Mcule
    1LD PDBe
    SCHEMBL24063 SureChEMBL
    PD000417 ProbesDrugs
    163444972 PubChem: Thomson Pharma
    14747633 PubChem: Thomson Pharma
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    PA449654 PharmGKB
    15194483 PubChem: Thomson Pharma
    2022-85-7 ACToR
    LSM-5878 LINCS
    D83282DT06 FDA SRS
    736052 eMolecules
    538448 eMolecules
    914155 eMolecules
    511893 eMolecules
    The data in this table is sourced from UniChem at EBI.