Dataset

Propachlor

This MassBank record with Accession MSBNK-Athens_Univ-AU362201 contains the MS2 mass spectrum of Propachlor with the InChIkey MFOUDYKPLGXPGO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
SMILES CC(C)N(C(=O)CCl)C1=CC=CC=C1
InChI Key MFOUDYKPLGXPGO-UHFFFAOYSA-N
Molecular Formula C11H14ClNO
Exact Mass 211.076 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-Athens_Univ-AU362201
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:45:34.587037
MetadataModified 2024-01-11T09:45:34.750454
MetadataPublished 2015-12-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
19503 ChEBI
CHEMBL1394829 ChEMBL
C18759 KEGG Ligand
MCULE-5126926361 Mcule
DUSZOH CCDC
J3.384G Nikkaji
14797730 PubChem: Thomson Pharma
1918-16-7 ACToR
015443A483 FDA SRS
4931 PubChem
SCHEMBL65571 SureChEMBL
ZINC000002039117 ZINC
DTXSID4024274 EPA CompTox Dashboard
508547 eMolecules
CB9726635 ChemicalBook
The data in this table is sourced from UniChem at EBI.