Dataset

Cloransulam-methyl; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000197 contains the MS2 mass spectrum of Cloransulam-methyl with the InChIkey BIKACRYIQSLICJ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3
SMILES CCOC(=N3)n(n1)c(C=C(F)3)nc1S(=O)(=O)Nc(c(Cl)2)c(ccc2)C(=O)OC
InChI Key BIKACRYIQSLICJ-UHFFFAOYSA-N
Molecular Formula C15H13ClFN5O5S
Exact Mass 429.031 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-WA000197
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MetadataPublished 2016-01-19
Related Molecule
  • methyl 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL64266 SureChEMBL
    147150-35-4 ACToR
    N9P737Z6HO FDA SRS
    CB0691826 ChemicalBook
    ZINC000000900525 ZINC
    86453 PubChem
    J719.378E Nikkaji
    3760 ChEBI
    DTXSID8034372 EPA CompTox Dashboard
    16101634 PubChem: Thomson Pharma
    C10907 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.