Dataset

Propachlor; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU362204 contains the MS2 mass spectrum of Propachlor with the InChIkey MFOUDYKPLGXPGO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
SMILES CC(C)N(C(=O)CCl)C1=CC=CC=C1
InChI Key MFOUDYKPLGXPGO-UHFFFAOYSA-N
Molecular Formula C11H14ClNO
Exact Mass 211.076 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-Athens_Univ-AU362204
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MetadataPublished 2015-12-09
Related Molecule
  • 2-chloro-N-phenyl-N-propan-2-ylacetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-5126926361 Mcule
    14797730 PubChem: Thomson Pharma
    1918-16-7 ACToR
    015443A483 FDA SRS
    4931 PubChem
    SCHEMBL65571 SureChEMBL
    DUSZOH CCDC
    J3.384G Nikkaji
    DTXSID4024274 EPA CompTox Dashboard
    ZINC000002039117 ZINC
    508547 eMolecules
    CB9726635 ChemicalBook
    19503 ChEBI
    C18759 KEGG Ligand
    CHEMBL1394829 ChEMBL
    The data in this table is sourced from UniChem at EBI.