Dataset

Dichlorprop

This MassBank record with Accession MSBNK-Waters-WA000210 contains the MS2 mass spectrum of Dichlorprop with the InChIkey MZHCENGPTKEIGP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
SMILES OC(=O)C(C)Oc(c1)c(Cl)cc(Cl)c1
InChI Key MZHCENGPTKEIGP-UHFFFAOYSA-N
Molecular Formula C9H8Cl2O3
Exact Mass 233.985 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000210
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:44:35.094536
MetadataModified 2025-02-09T20:20:33.043116
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL573221 ChEMBL
C11020 KEGG Ligand
HMDB0251202 Human Metabolome Database
J3.254I Nikkaji
DTXSID0020440 EPA CompTox Dashboard
J7YV2RKO6Q FDA SRS
CB7179789 ChemicalBook
SCHEMBL54510 SureChEMBL
20039952 NMRShiftDB
MCULE-9665038741 Mcule
75370 ChEBI
8427 PubChem
120-36-5 ACToR
PD000271 ProbesDrugs
16608790 PubChem: Thomson Pharma
492924 eMolecules
The data in this table is sourced from UniChem at EBI.