Dataset

Amitraz

This MassBank record with Accession MSBNK-Athens_Univ-AU302304 contains the MS2 mass spectrum of Amitraz with the InChIkey QXAITBQSYVNQDR-UHFFFAOYSA-N.

Chemical Info

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-AU302304
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:02:26.630130
MetadataModified 2025-02-08T19:13:18.682719
MetadataPublished 2015-12-08
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.