Dataset

Ethaboxam; LC-ESI-QFT; MS2; CE: 30%; R=17500; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ01124252 contains the MS2 mass spectrum of Ethaboxam with the InChIkey NQRFDNJEBWAUBL-UHFFFAOYSA-N.

Chemical Information

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-EQ01124252
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MetadataPublished 2023-04-27
Related Molecule
  • N-[cyano(thiophen-2-yl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide
    • 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.