Dataset

N-Desmethylclozapine

This MassBank record with Accession MSBNK-Waters-WA000912 contains the MS mass spectrum of N-Desmethylclozapine with the InChIkey JNNOSTQEZICQQP-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
SMILES	Clc(c4)cc(N=1)c(c4)Nc(c3)c(ccc3)C1N(C2)CCNC2
InChI Key	JNNOSTQEZICQQP-UHFFFAOYSA-N
Molecular Formula	C17H17ClN4
Exact Mass	312.114 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-WA000912
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:44:49.550037
MetadataModified	2024-01-11T22:44:49.729272
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL845	ChEMBL
537374	eMolecules
50122054	BindingDB
DTXSID0042616	EPA CompTox Dashboard
ZINC000003995781	ZINC
HY-G0021	MedChemExpress
LSM-2206	LINCS
MTBLC64050	Metabolights
HMDB0060536	Human Metabolome Database
135409468	PubChem
80133	Brenda
CB8196019	ChemicalBook
SCHEMBL781423	SureChEMBL
PD021872	ProbesDrugs
DB05766	DrugBank
64050	ChEBI
6104-71-8	ACToR
14776686	PubChem: Thomson Pharma
1I9001LWY8	FDA SRS
J446.142H	Nikkaji
The data in this table is sourced from UniChem at EBI.