Dataset

Oxasulfuron; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00349002 contains the MS2 mass spectrum of Oxasulfuron with the InChIkey IOXAXYHXMLCCJJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H18N4O6S/c1-10-7-11(2)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-13(14)15(22)27-12-8-26-9-12/h3-7,12H,8-9H2,1-2H3,(H2,18,19,20,21,23)
SMILES CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC3COC3)C
InChI Key IOXAXYHXMLCCJJ-UHFFFAOYSA-N
Molecular Formula C17H18N4O6S
Exact Mass 406.095 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-EQ00349002
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MetadataPublished 2024-06-14
Related Molecule
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    511330 eMolecules
    144651-06-9 ACToR
    56440241 PubChem: Thomson Pharma
    698F069J44 FDA SRS
    86443 PubChem
    SCHEMBL66884 SureChEMBL
    ZINC000013831537 ZINC
    CHEMBL1903152 ChEMBL
    CB5242564 ChemicalBook
    DTXSID4034364 EPA CompTox Dashboard
    J943.172A Nikkaji
    The data in this table is sourced from UniChem at EBI.