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

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

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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	2024-01-11T22:50:09.814953
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00356	DrugBank
C07931	KEGG Ligand
3655	ChEBI
2322	Guide to Pharmacology
SAM002554888	NIH Clinical Collection
CLW	PDBe
CHLORZOXAZONE	DailyMed
PARAFON FORTE DSC	rxnorm
CHLORZOXAZONE	rxnorm
CHLORZOXAZONE	clinicaltrials
PARAFLEX	clinicaltrials
PARAFON	clinicaltrials
50290811	BindingDB
DTXSID9022813	EPA CompTox Dashboard
626	DrugCentral
J3.950K	Nikkaji
NEWKOP	CCDC
HY-B1462	MedChemExpress
PD002420	ProbesDrugs
2733	PubChem
H0DE420U8G	FDA SRS
16935856	PubChem: Thomson Pharma
chlorzoxazone	Selleck
PA448971	PharmGKB
SCHEMBL35177	SureChEMBL
32850-84-3	ACToR
LSM-6011	LINCS
ZINC000084843283	ZINC
CHEMBL1371	ChEMBL
chlorzoxazone	DailyMed
CB0392987	ChemicalBook
HMDB0014500	Human Metabolome Database
21821	Brenda
20146194	NMRShiftDB
MCULE-3638156868	Mcule
901630	eMolecules
536115	eMolecules
The data in this table is sourced from UniChem at EBI.