Dataset

Metazachlor OA

This MassBank record with Accession MSBNK-Athens_Univ-AU264201 contains the MS2 mass spectrum of Metazachlor OA 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 CC1=CC=CC(C)=C1N(CN1C=CC=N1)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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU264201
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T10:10:36.594850
MetadataModified 2025-02-08T19:08:31.962510
MetadataPublished 2019-05-30
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID00891455 EPA CompTox Dashboard
MTBLC83483 Metabolights
ZINC000095629810 ZINC
83483 ChEBI
86290103 PubChem
The data in this table is sourced from UniChem at EBI.