Dataset

Flubendazole

This MassBank record with Accession MSBNK-Athens_Univ-AU106303 contains the MS2 mass spectrum of Flubendazole with the InChIkey CPEUVMUXAHMANV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)
SMILES COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3ccc(cc3)F
InChI Key CPEUVMUXAHMANV-UHFFFAOYSA-N
Molecular Formula C16H12FN3O3
Exact Mass 313.086 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-Athens_Univ-AU106303
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T08:54:05.927169
MetadataModified 2025-02-08T19:13:12.949001
MetadataPublished 2015-09-22
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CB2669630 ChemicalBook
ZINC000003830847 ZINC
77095 ChEBI
35802 PubChem
499473 eMolecules
2724654 eMolecules
PD000634 ProbesDrugs
R8M46911LR FDA SRS
15189547 PubChem: Thomson Pharma
SCHEMBL167185 SureChEMBL
31430-15-6 ACToR
flubendazole-flutelmium Selleck
LSM-5916 LINCS
PEZLUE CCDC
DB08974 DrugBank
HMDB0252324 Human Metabolome Database
1186 DrugCentral
DTXSID8023058 EPA CompTox Dashboard
J20.325D Nikkaji
HY-B0294 MedChemExpress
FLUBENDAZOLE rxnorm
FLUBENDAZOLE DailyMed
CHEMBL1454946 ChEMBL
SAM001246685 NIH Clinical Collection
12015477 PubChem: Drugs of the Future
The data in this table is sourced from UniChem at EBI.