Dataset

Metazachlor-ESA

This MassBank record with Accession MSBNK-Athens_Univ-AU206105 contains the MS2 mass spectrum of Metazachlor-ESA with the InChIkey IPVCSECPEVHQOV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H17N3O4S/c1-11-5-3-6-12(2)14(11)17(10-16-8-4-7-15-16)13(18)9-22(19,20)21/h3-8H,9-10H2,1-2H3,(H,19,20,21)
SMILES Cc1cccc(C)c1N(Cn1cccn1)C(=O)CS(O)(=O)=O
InChI Key IPVCSECPEVHQOV-UHFFFAOYSA-N
Molecular Formula C14H17N3O4S
Exact Mass 323.094 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-AU206105
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:50:08.588312
MetadataModified 2024-01-11T09:50:08.750000
MetadataPublished 2015-12-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
86290102 PubChem
83482 ChEBI
DTXSID40891454 EPA CompTox Dashboard
ZINC000219969278 ZINC
MTBLC83482 Metabolights
The data in this table is sourced from UniChem at EBI.