Dataset

Butachlor; LC-ESI-QFT; MS2; CE: 75%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00379305 contains the MS2 mass spectrum of Butachlor with the InChIkey HKPHPIREJKHECO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3
SMILES CCCCOCN(C1=C(C=CC=C1CC)CC)C(=O)CCl
InChI Key HKPHPIREJKHECO-UHFFFAOYSA-N
Molecular Formula C17H26ClNO2
Exact Mass 311.165 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-EQ00379305
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MetadataPublished 2024-06-14
Related Molecule
  • N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1399036 ChEMBL
    C10931 KEGG Ligand
    HMDB0249451 Human Metabolome Database
    J1.872D Nikkaji
    ZINC000001532059 ZINC
    3230 ChEBI
    HY-B2042 MedChemExpress
    246638 Brenda
    DTXSID3034402 EPA CompTox Dashboard
    62792 Brenda
    CB2693046 ChemicalBook
    3230 Rhea
    20209007 NMRShiftDB
    31677 PubChem
    23184-66-9 ACToR
    SCHEMBL65784 SureChEMBL
    94NU90OO5K FDA SRS
    14850091 PubChem: Thomson Pharma
    502862 eMolecules
    The data in this table is sourced from UniChem at EBI.