Dataset

Meclofenoxate

This MassBank record with Accession MSBNK-Waters-WA001916 contains the MS mass spectrum of Meclofenoxate with the InChIkey XZTYGFHCIAKPGJ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3
SMILES	CN(C)CCOC(=O)COc(c1)ccc(Cl)c1
InChI Key	XZTYGFHCIAKPGJ-UHFFFAOYSA-N
Molecular Formula	C12H16ClNO3
Exact Mass	257.082 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-WA001916
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:45:40.852831
MetadataModified	2024-01-11T22:45:40.997759
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
902091	eMolecules
CHEMBL64545	ChEMBL
C08195	KEGG Ligand
HMDB0254396	Human Metabolome Database
J4.124F	Nikkaji
MCULE-4430192880	Mcule
51-68-3	ACToR
LSM-5273	LINCS
C76QQ2I0RG	FDA SRS
SCHEMBL147339	SureChEMBL
14798874	PubChem: Thomson Pharma
4039	PubChem
PD013213	ProbesDrugs
DB13758	DrugBank
CB9751497	ChemicalBook
94126	Brenda
MECLOFENOXATE	clinicaltrials
DTXSID9046940	EPA CompTox Dashboard
ZINC000001531029	ZINC
1651	DrugCentral
6712	ChEBI
CETREXIN	clinicaltrials
MECLOFENOXATE	rxnorm
The data in this table is sourced from UniChem at EBI.