Dataset

5-Fluorocytosine

This MassBank record with Accession MSBNK-Eawag-EQ00312152 contains the MS2 mass spectrum of 5-Fluorocytosine with the InChIkey XRECTZIEBJDKEO-UHFFFAOYSA-N.

Chemical Info

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-EQ00312152
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:34:49.111764
MetadataModified 2025-02-09T10:34:49.304273
MetadataPublished 2024-05-08
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MEBQEQ CCDC
J3.695A Nikkaji
1188 DrugCentral
DTXSID3023059 EPA CompTox Dashboard
HY-B0139 MedChemExpress
FLUCYTOSINE clinicaltrials
RO-2-9915 clinicaltrials
RO 2-9915 clinicaltrials
ANCOBON clinicaltrials
50248003 BindingDB
FLUCYTOSINE rxnorm
ANCOBON rxnorm
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
Flucytosine(Ancobon) Selleck
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.