Dataset

PRZ_M239

This MassBank record with Accession MSBNK-Eawag_Additional_Specs-ET201003 contains the MS2 mass spectrum of PRZ_M239 with the InChIkey SUSCJRQKCYABMX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H8Cl3NO/c9-5-3-6(10)8(7(11)4-5)13-2-1-12/h3-4H,1-2,12H2
SMILES NCCOC1=C(Cl)C=C(Cl)C=C1Cl
InChI Key SUSCJRQKCYABMX-UHFFFAOYSA-N
Molecular Formula C8H8Cl3NO
Exact Mass 238.967 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-ET201003
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:49:36.147037
MetadataModified 2025-02-09T11:10:35.108546
MetadataPublished 2016-03-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000004227457 ZINC
DTXSID60891613 EPA CompTox Dashboard
7139321 PubChem
SCHEMBL9622239 SureChEMBL
MCULE-9998334790 Mcule
The data in this table is sourced from UniChem at EBI.