Dataset

Metazachlor

This MassBank record with Accession MSBNK-AGILENT-AG000032 contains the MS2 mass spectrum of Metazachlor with the InChIkey STEPQTYSZVCJPV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3
SMILES CC1C=CC=C(C)C=1N(CN1C=CC=N1)C(=O)CCl
InChI Key STEPQTYSZVCJPV-UHFFFAOYSA-N
Molecular Formula C14H16ClN3O
Exact Mass 277.098 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000032
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:16.168955
MetadataModified 2024-01-11T09:29:16.318261
MetadataPublished 2023-02-17
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C10948 KEGG Ligand
5757866 eMolecules
14872898 PubChem: Thomson Pharma
49384 PubChem
SCHEMBL55016 SureChEMBL
TPY2K437O4 FDA SRS
67129-08-2 ACToR
J19.048I Nikkaji
6798 ChEBI
HMDB0254508 Human Metabolome Database
AZADAG CCDC
CHEMBL2272118 ChEMBL
ZINC000000900592 ZINC
DTXSID4058156 EPA CompTox Dashboard
181131 BindingDB
HY-136373 MedChemExpress
28724 Brenda
CB3428786 ChemicalBook
The data in this table is sourced from UniChem at EBI.