Dataset

Picloram

This MassBank record with Accession MSBNK-Eawag-EQ00353208 contains the MS2 mass spectrum of Picloram with the InChIkey NQQVFXUMIDALNH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)
SMILES C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N
InChI Key NQQVFXUMIDALNH-UHFFFAOYSA-N
Molecular Formula C6H3Cl3N2O2
Exact Mass 239.926 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-EQ00353208
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:14:40.154132
MetadataModified 2025-02-09T10:14:40.344649
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-7113663407 Mcule
15965 PubChem
WOM PDBe
14774066 PubChem: Thomson Pharma
SCHEMBL13299 SureChEMBL
1918-02-1 ACToR
O7437X49DW FDA SRS
489794 eMolecules
J3.383I Nikkaji
HMDB0256531 Human Metabolome Database
ZINC000001237662 ZINC
DTXSID1021160 EPA CompTox Dashboard
HY-B2034 MedChemExpress
34922 ChEBI
CB8143725 ChemicalBook
C14310 KEGG Ligand
CHEMBL461349 ChEMBL
The data in this table is sourced from UniChem at EBI.