Dataset

Propachlor-OXA

This MassBank record with Accession MSBNK-Athens_Univ-AU207304 contains the MS2 mass spectrum of Propachlor-OXA with the InChIkey HYHJOUPYTUBFIX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H13NO3/c1-8(2)12(10(13)11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)
SMILES CC(C)N(C(=O)C(O)=O)C1=CC=CC=C1
InChI Key HYHJOUPYTUBFIX-UHFFFAOYSA-N
Molecular Formula C11H13NO3
Exact Mass 207.090 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-AU207304
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:52:04.103884
MetadataModified 2025-02-08T18:59:32.287663
MetadataPublished 2015-12-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
83520 ChEBI
DTXSID8037592 EPA CompTox Dashboard
MTBLC83520 Metabolights
ZINC000005760318 ZINC
J1.837.035B Nikkaji
10517031 eMolecules
SCHEMBL12985450 SureChEMBL
70628-36-3 ACToR
155385 PubChem
The data in this table is sourced from UniChem at EBI.