Dataset

5-Fluorouracil

This MassBank record with Accession MSBNK-Eawag-EQ00256603 contains the MS2 mass spectrum of 5-Fluorouracil with the InChIkey GHASVSINZRGABV-UHFFFAOYSA-N.

Chemical Info

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-EQ00256603
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T09:54:48.096697
MetadataModified 2025-02-09T09:54:48.299988
MetadataPublished 2024-06-14
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.