Dataset

Amitraz; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU302303 contains the MS2 mass spectrum of Amitraz with the InChIkey QXAITBQSYVNQDR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3
SMILES CN(C=NC1=C(C)C=C(C)C=C1)C=NC1=C(C)C=C(C)C=C1
InChI Key QXAITBQSYVNQDR-UHFFFAOYSA-N
Molecular Formula C19H23N3
Exact Mass 293.189 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-AU302303
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Maintainer
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MetadataPublished 2015-12-08
Related Molecule
  • N'-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)iminomethyl]-N-methylmethanimidamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MCULE-1585410947 Mcule
    ZINC000253495784 ZINC
    36324 PubChem
    PD055757 ProbesDrugs
    2665 ChEBI
    HMDB0248337 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.