Dataset

Metazachlor-OXA

This MassBank record with Accession MSBNK-Athens_Univ-AU206202 contains the MS2 mass spectrum of Metazachlor-OXA with the InChIkey PHMHHVKFXZNTKU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H15N3O3/c1-10-5-3-6-11(2)12(10)17(13(18)14(19)20)9-16-8-4-7-15-16/h3-8H,9H2,1-2H3,(H,19,20)
SMILES Cc1cccc(C)c1N(Cn1cccn1)C(=O)C(O)=O
InChI Key PHMHHVKFXZNTKU-UHFFFAOYSA-N
Molecular Formula C14H15N3O3
Exact Mass 273.111 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-AU206202
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:49:41.916282
MetadataModified 2024-01-11T09:49:42.075731
MetadataPublished 2015-12-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000095629810 ZINC
MTBLC83483 Metabolights
DTXSID00891455 EPA CompTox Dashboard
83483 ChEBI
86290103 PubChem
The data in this table is sourced from UniChem at EBI.