Dataset

Chlorzoxazone

This MassBank record with Accession MSBNK-Waters-WA002308 contains the MS mass spectrum of Chlorzoxazone with the InChIkey TZFWDZFKRBELIQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
SMILES O=C(O1)Nc(c2)c(ccc(Cl)2)1
InChI Key TZFWDZFKRBELIQ-UHFFFAOYSA-N
Molecular Formula C7H4ClNO2
Exact Mass 168.993 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA002308
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:09.640086
MetadataModified 2025-02-09T20:16:00.448607
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3655 ChEBI
SAM002554888 NIH Clinical Collection
2322 Guide to Pharmacology
CLW PDBe
C07931 KEGG Ligand
DB00356 DrugBank
CHEMBL1371 ChEMBL
J3.950K Nikkaji
CHLORZOXAZONE DailyMed
PARAFON FORTE DSC rxnorm
CHLORZOXAZONE rxnorm
NEWKOP CCDC
CHLORZOXAZONE clinicaltrials
DTXSID9022813 EPA CompTox Dashboard
PARAFON clinicaltrials
HY-B1462 MedChemExpress
PARAFLEX clinicaltrials
626 DrugCentral
50290811 BindingDB
PD002420 ProbesDrugs
16935856 PubChem: Thomson Pharma
32850-84-3 ACToR
H0DE420U8G FDA SRS
2733 PubChem
chlorzoxazone Selleck
PA448971 PharmGKB
LSM-6011 LINCS
SCHEMBL35177 SureChEMBL
901630 eMolecules
536115 eMolecules
20146194 NMRShiftDB
MCULE-3638156868 Mcule
CB0392987 ChemicalBook
HMDB0014500 Human Metabolome Database
ZINC000084843283 ZINC
chlorzoxazone DailyMed
21821 Brenda
The data in this table is sourced from UniChem at EBI.