Dataset

4-Chlorophenoxyacetic Acid

This MassBank record with Accession MSBNK-Eawag-EQ01126057 contains the MS2 mass spectrum of 4-Chlorophenoxyacetic Acid with the InChIkey SODPIMGUZLOIPE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
SMILES C1=CC(=CC=C1OCC(=O)O)Cl
InChI Key SODPIMGUZLOIPE-UHFFFAOYSA-N
Molecular Formula C8H7ClO3
Exact Mass 186.008 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-EQ01126057
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:03:56.706325
MetadataModified 2025-02-09T09:32:20.419685
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
26229 PubChem
PD159963 ProbesDrugs
15195265 PubChem: Thomson Pharma
122-88-3 ACToR
4EMM3U5P3K FDA SRS
440195 eMolecules
94595 Brenda
CB7189313 ChemicalBook
ZINC000008403210 ZINC
MCULE-9539789488 Mcule
SCHEMBL40485 SureChEMBL
CHEMBL178018 ChEMBL
1808 ChEBI
C07088 KEGG Ligand
HMDB0246399 Human Metabolome Database
DTXSID9034282 EPA CompTox Dashboard
CLPOAC CCDC
J2.495C Nikkaji
The data in this table is sourced from UniChem at EBI.