Dataset

OCP_197.0840_11.1

This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ET130004 contains the MS2 mass spectrum of OCP_197.0840_11.1 with the InChIkey VHFVKMTVMIZMIK-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
SMILES	Clc1cccc(c1)N1CCNCC1
InChI Key	VHFVKMTVMIZMIK-UHFFFAOYSA-N
Molecular Formula	C10H13ClN2
Exact Mass	196.077 g/mol

Data and Resources

OCP_197.0840_11.1HTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag_Additional_Specs-ET130004
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T14:49:35.316847
MetadataModified	2025-02-09T11:10:09.303241
MetadataPublished	2016-03-17

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C11738	KEGG Ligand
CHEMBL478	ChEMBL
10588	ChEBI
142	Guide to Pharmacology
DTXSID9045138	EPA CompTox Dashboard
50001915	BindingDB
ZINC000000004285	ZINC
J227.960F	Nikkaji
MCULE-2169847421	Mcule
HMDB0061008	Human Metabolome Database
DB12110	DrugBank
MTBLC10588	Metabolights
1355	PubChem
PD014369	ProbesDrugs
REY0CNO998	FDA SRS
15487730	PubChem: Thomson Pharma
6640-24-0	ACToR
SCHEMBL48931	SureChEMBL
LSM-25627	LINCS
617619	eMolecules
The data in this table is sourced from UniChem at EBI.