Dataset

Thifensulfuron-methyl; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU368805 contains the MS2 mass spectrum of Thifensulfuron-methyl with the InChIkey AHTPATJNIAFOLR-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)
SMILES COC(=O)C1=C(C=CS1)S(=O)(=O)NC(=O)NC1=NC(C)=NC(OC)=N1
InChI Key AHTPATJNIAFOLR-UHFFFAOYSA-N
Molecular Formula C12H13N5O6S2
Exact Mass 387.031 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-AU368805
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MetadataPublished 2015-12-09
Related Molecule
  • methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:83453 chebi
    R4O rcsb_pdb
    CHEMBL1904815 chembl
    21300509 surechembl
    29463414 surechembl
    53606 surechembl
    73674 pubchem
    5VFH25ES6F fdasrs
    PD210528 probes_and_drugs
    AGEJII CCDC
    151279 brenda
    151287 brenda
    R4O pdbe
    HMDB0258993 hmdb
    Molport-003-933-625 molport
    The data in this table is sourced from UniChem at EBI.