Dataset

Pyridaben

This MassBank record with Accession MSBNK-Eawag-EQ01130303 contains the MS2 mass spectrum of Pyridaben with the InChIkey DWFZBUWUXWZWKD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3
SMILES CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl
InChI Key DWFZBUWUXWZWKD-UHFFFAOYSA-N
Molecular Formula C19H25ClN2OS
Exact Mass 364.138 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-EQ01130303
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T13:24:20.741997
MetadataModified 2025-02-09T10:33:57.241552
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C18614 KEGG Ligand
CHEMBL225963 ChEMBL
38626 ChEBI
LIJDEO CCDC
DTXSID5032573 EPA CompTox Dashboard
HY-B0817 MedChemExpress
ZINC000001543237 ZINC
HQK PDBe
HMDB0256960 Human Metabolome Database
58401 BindingDB
J388.265I Nikkaji
CB7701029 ChemicalBook
91754 PubChem
PD085446 ProbesDrugs
14779273 PubChem: Thomson Pharma
96489-71-3 ACToR
2E4JBA5272 FDA SRS
510764 eMolecules
83948 Brenda
21885 Brenda
20208995 NMRShiftDB
SCHEMBL27429 SureChEMBL
The data in this table is sourced from UniChem at EBI.