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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Maintainer
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MetadataPublished 2024-06-14
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00544 DrugBank
    URF PDBe
    SAM002264615 NIH Clinical Collection
    C07649 KEGG Ligand
    CHEMBL185 ChEMBL
    FLUOROURACIL DailyMed
    50340677 BindingDB
    229065 Brenda
    EFUDEX rxnorm
    FLUOROPLEX rxnorm
    CARAC rxnorm
    TOLAK rxnorm
    FLUOROURACIL rxnorm
    ADRUCIL rxnorm
    RO-2-9757 clinicaltrials
    CARAC clinicaltrials
    ADRUCIL clinicaltrials
    FLUOROPLEX clinicaltrials
    FLUOROURACIL clinicaltrials
    EFUDEX clinicaltrials
    NSC-19893 clinicaltrials
    HY-90006 MedChemExpress
    RO 2-9757 clinicaltrials
    26 DrugCentral
    4789 Guide to Pharmacology
    J4.489J Nikkaji
    FURACL CCDC
    229064 Brenda
    HMDB0014684 Human Metabolome Database
    DTXSID2020634 EPA CompTox Dashboard
    U3P01618RT FDA SRS
    5-fluourouracil Atlas
    5-fluorouracil Atlas
    PD002327 ProbesDrugs
    LSM-4261 LINCS
    1004-03-1 ACToR
    15218968 PubChem: Thomson Pharma
    PA128406956 PharmGKB
    Adrucil(Fluorouracil) Selleck
    512920 eMolecules
    13386136 eMolecules
    155282 Brenda
    812 Brenda
    fluorouracil DailyMed
    51649 Brenda
    ZINC000038212689 ZINC
    CB8162744 ChemicalBook
    MCULE-6338086431 Mcule
    SCHEMBL3646 SureChEMBL
    3385 PubChem
    20027309 NMRShiftDB
    46345 ChEBI
    The data in this table is sourced from UniChem at EBI.