Dataset

Tebufenpyrad

This MassBank record with Accession MSBNK-Eawag-EQ00353701 contains the MS2 mass spectrum of Tebufenpyrad with the InChIkey ZZYSLNWGKKDOML-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)
SMILES CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)C(C)(C)C)C
InChI Key ZZYSLNWGKKDOML-UHFFFAOYSA-N
Molecular Formula C18H24ClN3O
Exact Mass 333.161 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-EQ00353701
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:03:06.267444
MetadataModified 2025-02-09T10:03:06.430719
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
14851197 PubChem: Thomson Pharma
14777635 PubChem: Thomson Pharma
IRU3P7ZB3F FDA SRS
119168-77-3 ACToR
PD099072 ProbesDrugs
511368 eMolecules
86354 PubChem
20209025 NMRShiftDB
SCHEMBL26848 SureChEMBL
C11126 KEGG Ligand
CHEMBL1897070 ChEMBL
9422 ChEBI
J364.797H Nikkaji
JOBREX CCDC
HMDB0258765 Human Metabolome Database
ZINC000000967721 ZINC
DTXSID0034223 EPA CompTox Dashboard
CB5441303 ChemicalBook
The data in this table is sourced from UniChem at EBI.