Dataset

Metazachlor; ESI-QTOF; MS2; CE: 20; [M+H]+

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

Chemical Information

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 https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AGILENT-AG000032
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MetadataPublished 2023-02-17
Related Molecule
  • 2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14872898 PubChem: Thomson Pharma
    49384 PubChem
    SCHEMBL55016 SureChEMBL
    TPY2K437O4 FDA SRS
    67129-08-2 ACToR
    5757866 eMolecules
    CB3428786 ChemicalBook
    28724 Brenda
    ZINC000000900592 ZINC
    CHEMBL2272118 ChEMBL
    C10948 KEGG Ligand
    AZADAG CCDC
    HMDB0254508 Human Metabolome Database
    6798 ChEBI
    J19.048I Nikkaji
    HY-136373 MedChemExpress
    181131 BindingDB
    DTXSID4058156 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.