Dataset

Dichlorprop; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

This MassBank record with Accession MSBNK-Waters-WA000209 contains the MS2 mass spectrum of Dichlorprop with the InChIkey MZHCENGPTKEIGP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
SMILES OC(=O)C(C)Oc(c1)c(Cl)cc(Cl)c1
InChI Key MZHCENGPTKEIGP-UHFFFAOYSA-N
Molecular Formula C9H8Cl2O3
Exact Mass 233.985 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000209
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-(2,4-dichlorophenoxy)propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL573221 ChEMBL
    C11020 KEGG Ligand
    HMDB0251202 Human Metabolome Database
    J3.254I Nikkaji
    DTXSID0020440 EPA CompTox Dashboard
    J7YV2RKO6Q FDA SRS
    CB7179789 ChemicalBook
    SCHEMBL54510 SureChEMBL
    20039952 NMRShiftDB
    MCULE-9665038741 Mcule
    75370 ChEBI
    8427 PubChem
    120-36-5 ACToR
    PD000271 ProbesDrugs
    16608790 PubChem: Thomson Pharma
    492924 eMolecules
    The data in this table is sourced from UniChem at EBI.