Dataset

OCP_239.0946_17.0

This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ET130102 contains the MS2 mass spectrum of OCP_239.0946_17.0 with the InChIkey LBSHKCUTMCYUOW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H15ClN2O/c1-10(16)14-6-8-15(9-7-14)12-5-3-2-4-11(12)13/h2-5H,6-9H2,1H3
SMILES CC(=O)N1CCN(CC1)c1ccccc1Cl
InChI Key LBSHKCUTMCYUOW-UHFFFAOYSA-N
Molecular Formula C12H15ClN2O
Exact Mass 238.087 g/mol

Data and Resources

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-ET130102
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:49:41.109619
MetadataModified 2025-02-09T11:07:29.231858
MetadataPublished 2016-03-17
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID50891566 EPA CompTox Dashboard
SCHEMBL9565829 SureChEMBL
ZINC000001561680 ZINC
258328 PubChem
The data in this table is sourced from UniChem at EBI.