Dataset

Flubendazole

This MassBank record with Accession MSBNK-Athens_Univ-AU106301 contains the MS2 mass spectrum of Flubendazole with the InChIkey CPEUVMUXAHMANV-UHFFFAOYSA-N.

Chemical Info

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

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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-AU106301
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:41:34.895649
MetadataModified	2024-01-11T09:41:35.058631
MetadataPublished	2015-09-22

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB08974	DrugBank
PEZLUE	CCDC
FLUBENDAZOLE	DailyMed
ZINC000003830847	ZINC
HY-B0294	MedChemExpress
DTXSID8023058	EPA CompTox Dashboard
1186	DrugCentral
FLUBENDAZOLE	rxnorm
CB2669630	ChemicalBook
PD000634	ProbesDrugs
R8M46911LR	FDA SRS
15189547	PubChem: Thomson Pharma
SCHEMBL167185	SureChEMBL
31430-15-6	ACToR
flubendazole-flutelmium	Selleck
LSM-5916	LINCS
J20.325D	Nikkaji
HMDB0252324	Human Metabolome Database
35802	PubChem
77095	ChEBI
499473	eMolecules
2724654	eMolecules
12015477	PubChem: Drugs of the Future
CHEMBL1454946	ChEMBL
SAM001246685	NIH Clinical Collection
The data in this table is sourced from UniChem at EBI.