Dataset

Triclopyr

This MassBank record with Accession MSBNK-Waters-WA000227 contains the MS2 mass spectrum of Triclopyr with the InChIkey REEQLXCGVXDJSQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)
SMILES OC(=O)COc(n1)c(Cl)cc(Cl)c(Cl)1
InChI Key REEQLXCGVXDJSQ-UHFFFAOYSA-N
Molecular Formula C7H4Cl3NO3
Exact Mass 254.926 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-WA000227
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:32:27.992039
MetadataModified 2025-02-09T20:23:05.309971
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000000900723 ZINC
41428 PubChem
15196918 PubChem: Thomson Pharma
MV06PHJ6I0 FDA SRS
SCHEMBL37162 SureChEMBL
55335-06-3 ACToR
501772 eMolecules
HMDB0259186 Human Metabolome Database
9682 ChEBI
J1.901A Nikkaji
HY-B2051 MedChemExpress
WOHZEA CCDC
SBK PDBe
DTXSID0032497 EPA CompTox Dashboard
CB4666264 ChemicalBook
CHEMBL1865925 ChEMBL
C11032 KEGG Ligand
The data in this table is sourced from UniChem at EBI.