Dataset

Spirodiclofen

This MassBank record with Accession MSBNK-Eawag-EQ00381503 contains the MS2 mass spectrum of Spirodiclofen with the InChIkey DTDSAWVUFPGDMX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3
SMILES CCC(C)(C)C(=O)OC1=C(C(=O)OC12CCCCC2)C3=C(C=C(C=C3)Cl)Cl
InChI Key DTDSAWVUFPGDMX-UHFFFAOYSA-N
Molecular Formula C21H24Cl2O4
Exact Mass 410.105 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-EQ00381503
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:29:59.427365
MetadataModified 2025-02-09T10:31:18.068248
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
38639 ChEBI
C18553 KEGG Ligand
CB1473535 ChemicalBook
J1.571.716E Nikkaji
HY-B0826 MedChemExpress
WIKSIT CCDC
10550465 eMolecules
14806396 PubChem: Thomson Pharma
SCHEMBL27234 SureChEMBL
PD012091 ProbesDrugs
3X7G31F5MX FDA SRS
ZINC000002540062 ZINC
212874 Brenda
177863 PubChem
CHEMBL2227839 ChEMBL
The data in this table is sourced from UniChem at EBI.