Dataset

Thifensulfuron-methyl; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000220 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(n2)nc(nc(C)2)NC(=O)NS(=O)(=O)c(c1)c(sc1)C(=O)OC
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000220
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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
    HMDB0258993 hmdb
    Molport-003-933-625 molport
    The data in this table is sourced from UniChem at EBI.