2,4,6-Trichlorophenoxyacetic acid

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MassBank

MassBank is an open source mass spectral library for the identification of small chemical molecules of metabolomics, exposomics and environmental relevance.

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Dataset

2,4,6-Trichlorophenoxyacetic acid

This MassBank record with Accession MSBNK-BAFG-CSL23111026980 contains the MS2 mass spectrum of 2,4,6-Trichlorophenoxyacetic acid with the InChIkey KZDCLQBOHGBWOI-UHFFFAOYSA-N.

Chemical Info

molecular Image

InChI	InChI=1S/C8H5Cl3O3/c9-4-1-5(10)8(6(11)2-4)14-3-7(12)13/h1-2H,3H2,(H,12,13)
SMILES	C1=C(C=C(C(=C1Cl)OCC(=O)O)Cl)Cl
InChI Key	KZDCLQBOHGBWOI-UHFFFAOYSA-N
Molecular Formula	C8H5Cl3O3
Exact Mass	253.930 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111026980
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T11:31:17.892629
MetadataModified	2024-01-11T11:31:18.048482
MetadataPublished	2023-11-10

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables