Dataset

Ethaboxam

This MassBank record with Accession MSBNK-Eawag-EQ01124201 contains the MS2 mass spectrum of Ethaboxam with the InChIkey NQRFDNJEBWAUBL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H16N4OS2/c1-3-9-12(21-14(18-9)16-4-2)13(19)17-10(8-15)11-6-5-7-20-11/h5-7,10H,3-4H2,1-2H3,(H,16,18)(H,17,19)
SMILES CCC1=C(SC(=N1)NCC)C(=O)NC(C#N)C2=CC=CS2
InChI Key NQRFDNJEBWAUBL-UHFFFAOYSA-N
Molecular Formula C14H16N4OS2
Exact Mass 320.077 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-Eawag-EQ01124201
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:30:24.973273
MetadataModified 2025-02-09T10:06:31.637349
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
162650-77-3 ACToR
82857 ChEBI
16254771 PubChem: Thomson Pharma
SCHEMBL20484 SureChEMBL
11174640 PubChem
CB8505965 ChemicalBook
DTXSID2057994 EPA CompTox Dashboard
7MP0L17BM8 FDA SRS
J1.594.391B Nikkaji
The data in this table is sourced from UniChem at EBI.