Dataset

BEZ-da

This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ET290109 contains the MS2 mass spectrum of BEZ-da with the InChIkey ZTLWJYCDAXUIBK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H14ClNO2/c16-13-5-3-12(4-6-13)15(19)17-10-9-11-1-7-14(18)8-2-11/h1-8,18H,9-10H2,(H,17,19)
SMILES OC1=CC=C(CCNC(C2=CC=C(Cl)C=C2)=O)C=C1
InChI Key ZTLWJYCDAXUIBK-UHFFFAOYSA-N
Molecular Formula C15H14ClNO2
Exact Mass 275.071 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag_Additional_Specs-ET290109
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:49:38.425974
MetadataModified 2025-02-09T11:10:01.194527
MetadataPublished 2016-12-08
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J278.281B Nikkaji
DTXSID80194653 EPA CompTox Dashboard
ZINC000000134547 ZINC
CHEMBL538430 ChEMBL
CB0727583 ChemicalBook
MCULE-7626402334 Mcule
SCHEMBL8668493 SureChEMBL
198234 PubChem
15642508 PubChem: Thomson Pharma
41859-57-8 ACToR
2723985 eMolecules
The data in this table is sourced from UniChem at EBI.