Dataset

Bezafibrate

This MassBank record with Accession MSBNK-LCSB-LU055953 contains the MS2 mass spectrum of Bezafibrate with the InChIkey IIBYAHWJQTYFKB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
SMILES CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O
InChI Key IIBYAHWJQTYFKB-UHFFFAOYSA-N
Molecular Formula C19H20ClNO4
Exact Mass 361.108 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU055953
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T18:28:00.619322
MetadataModified 2025-02-09T15:31:17.015009
MetadataPublished 2020-08-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
39042 PubChem
PD001407 ProbesDrugs
bezafibrate Atlas
Y9449Q51XH FDA SRS
14926008 PubChem: Thomson Pharma
41859-67-0 ACToR
PA162364313 PharmGKB
LSM-3015 LINCS
535336 eMolecules
HMDB0015465 Human Metabolome Database
105590 Brenda
ZINC000003956919 ZINC
CB1188501 ChemicalBook
SCHEMBL16299 SureChEMBL
47612 ChEBI
12015374 PubChem: Drugs of the Future
CHEMBL264374 ChEMBL
2668 Guide to Pharmacology
PEM PDBe
28701 BindingDB
BEZAFIBRATE rxnorm
BEZAFIBRATE clinicaltrials
BM-15.075 clinicaltrials
BM 15.075 clinicaltrials
VAMBOA CCDC
MCULE-9775992840 Mcule
DTXSID3029869 EPA CompTox Dashboard
362 DrugCentral
J16.626J Nikkaji
HY-B0637 MedChemExpress
DB01393 DrugBank
The data in this table is sourced from UniChem at EBI.