Dataset

Clofibrate

This MassBank record with Accession MSBNK-Eawag-EQ00425801 contains the MS2 mass spectrum of Clofibrate with the InChIkey KNHUKKLJHYUCFP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3
SMILES	CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1
InChI Key	KNHUKKLJHYUCFP-UHFFFAOYSA-N
Molecular Formula	C12H15ClO3
Exact Mass	242.071 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-Eawag-EQ00425801
Version
Author
Maintainer
Language
MetadataCreated	2025-02-09T09:29:14.129793
MetadataModified	2025-02-09T09:29:14.340856
MetadataPublished	2024-06-14
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL565	ChEMBL
C06916	KEGG Ligand
22395216	PubChem: Drugs of the Future
3750	ChEBI
DB00636	DrugBank
CLOFIBRATE	rxnorm
ATROMID-S	clinicaltrials
ATROMID	clinicaltrials
CLOFIBRATE	clinicaltrials
HY-B0287	MedChemExpress
50085047	BindingDB
DTXSID3020336	EPA CompTox Dashboard
694	DrugCentral
ZINC000000056648	ZINC
2667	Guide to Pharmacology
J3.314F	Nikkaji
SCHEMBL2356	SureChEMBL
MCULE-9236719628	Mcule
2796	PubChem
47223	Brenda
47220	Brenda
1278	Brenda
HMDB0014774	Human Metabolome Database
CB5774380	ChemicalBook
PD001476	ProbesDrugs
clofibrate	Atlas
HPN91K7FU3	FDA SRS
LSM-2996	LINCS
14798427	PubChem: Thomson Pharma
PA449045	PharmGKB
Clofibrate(Atromid-S)	Selleck
637-07-0	ACToR
492659	eMolecules
The data in this table is sourced from UniChem at EBI.