Dataset

Dieldrin

This MassBank record with Accession MSBNK-Athens_Univ-AU591219 contains the MS2 mass spectrum of Dieldrin with the InChIkey DFBKLUNHFCTMDC-PICURKEMSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11-
SMILES ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@@H]([C@H]5O[C@@H]45)[C@@H]3[C@@]1(Cl)C2(Cl)Cl
InChI Key DFBKLUNHFCTMDC-PICURKEMSA-N
Molecular Formula C12H8Cl6O
Exact Mass 377.871 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU591219
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:45:57.768179
MetadataModified 2025-02-08T19:08:33.904964
MetadataPublished 2019-11-21
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60-57-1 ACToR
16014815 PubChem: Thomson Pharma
I0246D2ZS0 FDA SRS
PD077054 ProbesDrugs
29536690 eMolecules
ZINC000000607816 ZINC
969491 PubChem
SCHEMBL72829 SureChEMBL
CHEMBL1873703 ChEMBL
C13718 KEGG Ligand
34696 ChEBI
DIELDR CCDC
DTXSID9020453 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.