Dataset

Diclofenac; LC-ESI-Q; MS; POS; 60 V, 75 V

This MassBank record with Accession MSBNK-Waters-WA001678 contains the MS mass spectrum of Diclofenac with the InChIkey DCOPUUMXTXDBNB-UHFFFAOYSA-N.

Chemical Information

InChI	InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
SMILES	OC(=O)Cc(c2)c(ccc2)Nc(c(Cl)1)c(Cl)ccc1
InChI Key	DCOPUUMXTXDBNB-UHFFFAOYSA-N
Molecular Formula	C14H11Cl2NO2
Exact Mass	295.017 g/mol

Data and Resources

DiclofenacHTML

Go to source

Related Molecule ⌄

2-[2-(2,6-dichloroanilino)phenyl]acetic acid

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001678
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	2-[2-(2,6-dichloroanilino)phenyl]acetic acid

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00586	drugbank
DIF	rcsb_pdb
CHEMBL139	chembl
2799	surechembl
29354260	surechembl
3033	pubchem
144O8QL0L1	fdasrs
DIF	pdbe
2714	gtopdb
PD009905	probes_and_drugs
SIKLIH	CCDC
153432	brenda
154422	brenda
69451	brenda
CHEBI:47381	chebi
HMDB0014724	hmdb
DTXSID6022923	comptox
NCT00090181	clinicaltrials
NCT00108992	clinicaltrials
NCT00139646	clinicaltrials
NCT00140920	clinicaltrials
NCT00140933	clinicaltrials
NCT00141102	clinicaltrials
NCT00171626	clinicaltrials
NCT00171665	clinicaltrials
NCT00171678	clinicaltrials
NCT00171691	clinicaltrials
NCT00174317	clinicaltrials
NCT00204542	clinicaltrials
NCT00242489	clinicaltrials
NCT00247052	clinicaltrials
NCT00264147	clinicaltrials
NCT00276419	clinicaltrials
NCT00371696	clinicaltrials
NCT00377806	clinicaltrials
NCT00428025	clinicaltrials
NCT00447759	clinicaltrials
NCT00448110	clinicaltrials
NCT00484120	clinicaltrials
NCT00491192	clinicaltrials
NCT00507026	clinicaltrials
NCT00548678	clinicaltrials
NCT00568217	clinicaltrials
NCT00573768	clinicaltrials
NCT00594854	clinicaltrials
NCT00595543	clinicaltrials
NCT00640432	clinicaltrials
NCT00648141	clinicaltrials
NCT00649610	clinicaltrials
NCT00650598	clinicaltrials
NCT00671320	clinicaltrials
NCT00715091	clinicaltrials
NCT00762463	clinicaltrials
NCT00766402	clinicaltrials
NCT00777127	clinicaltrials
NCT00792376	clinicaltrials
NCT00800527	clinicaltrials
NCT00801528	clinicaltrials
NCT00864097	clinicaltrials
NCT00893854	clinicaltrials
NCT00894790	clinicaltrials
NCT00942448	clinicaltrials
NCT00943098	clinicaltrials
NCT00954785	clinicaltrials
NCT00955513	clinicaltrials
NCT00985439	clinicaltrials
NCT00991861	clinicaltrials
NCT00999791	clinicaltrials
NCT01039545	clinicaltrials
NCT01066520	clinicaltrials
NCT01067430	clinicaltrials
NCT01190722	clinicaltrials
NCT01229774	clinicaltrials
NCT01265602	clinicaltrials
NCT01335724	clinicaltrials
NCT01358045	clinicaltrials
NCT01383954	clinicaltrials
NCT01413854	clinicaltrials
NCT01453179	clinicaltrials
NCT01456611	clinicaltrials
NCT01458600	clinicaltrials
NCT01461369	clinicaltrials
NCT01462435	clinicaltrials
NCT01462435	clinicaltrials
NCT01481610	clinicaltrials
NCT01510912	clinicaltrials
NCT01590342	clinicaltrials
NCT01596647	clinicaltrials
NCT01812928	clinicaltrials
NCT01860833	clinicaltrials
NCT01876615	clinicaltrials
NCT01907984	clinicaltrials
NCT01935531	clinicaltrials
NCT01939743	clinicaltrials
NCT01967550	clinicaltrials
NCT02068859	clinicaltrials
NCT02068859	clinicaltrials
NCT02088411	clinicaltrials
NCT02171507	clinicaltrials
NCT02181920	clinicaltrials
NCT02183129	clinicaltrials
NCT02187614	clinicaltrials
NCT02192203	clinicaltrials
NCT02193620	clinicaltrials
NCT02194088	clinicaltrials
NCT02229747	clinicaltrials
NCT02286453	clinicaltrials
NCT02332057	clinicaltrials
NCT02361619	clinicaltrials
NCT02417337	clinicaltrials
NCT02419651	clinicaltrials
NCT02424578	clinicaltrials
NCT02425709	clinicaltrials
NCT02428777	clinicaltrials
NCT02433418	clinicaltrials
NCT02445599	clinicaltrials
NCT02528201	clinicaltrials
NCT02547896	clinicaltrials
NCT02636569	clinicaltrials
NCT02664116	clinicaltrials
NCT02666846	clinicaltrials
NCT02689024	clinicaltrials
NCT02700815	clinicaltrials
NCT02714842	clinicaltrials
NCT02760888	clinicaltrials
NCT02779530	clinicaltrials
NCT02918812	clinicaltrials
NCT03039426	clinicaltrials
NCT03072485	clinicaltrials
NCT03074162	clinicaltrials
NCT03081728	clinicaltrials
NCT03178539	clinicaltrials
NCT03199924	clinicaltrials
NCT03221946	clinicaltrials
NCT03304379	clinicaltrials
NCT03434197	clinicaltrials
NCT03473665	clinicaltrials
NCT03493490	clinicaltrials
NCT03497039	clinicaltrials
NCT03506763	clinicaltrials
NCT03519152	clinicaltrials
NCT03595150	clinicaltrials
NCT03605914	clinicaltrials
NCT03745599	clinicaltrials
NCT03781544	clinicaltrials
NCT03861611	clinicaltrials
NCT03910088	clinicaltrials
NCT03949673	clinicaltrials
NCT04052620	clinicaltrials
NCT04091022	clinicaltrials
NCT04199572	clinicaltrials
NCT04235426	clinicaltrials
NCT04391842	clinicaltrials
NCT04421911	clinicaltrials
NCT04552327	clinicaltrials
NCT04591795	clinicaltrials
NCT04611529	clinicaltrials
NCT04819828	clinicaltrials
NCT04849468	clinicaltrials
NCT05026320	clinicaltrials
NCT05050448	clinicaltrials
NCT05121233	clinicaltrials
NCT05254574	clinicaltrials
NCT05312645	clinicaltrials
NCT05653401	clinicaltrials
NCT05653401	clinicaltrials
NCT05752526	clinicaltrials
NCT05816226	clinicaltrials
NCT05882812	clinicaltrials
NCT05883241	clinicaltrials
NCT06012097	clinicaltrials
NCT06029296	clinicaltrials
NCT06053411	clinicaltrials
NCT06158620	clinicaltrials
NCT06184685	clinicaltrials
NCT06231043	clinicaltrials
NCT06252441	clinicaltrials
NCT06257537	clinicaltrials
NCT06373978	clinicaltrials
Molport-000-003-072	molport
865	drugcentral
13066	bindingdb
The data in this table is sourced from UniChem at EBI.