Dataset

Forchlorfenuron; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

This MassBank record with Accession MSBNK-Waters-WA000268 contains the MS2 mass spectrum of Forchlorfenuron with the InChIkey GPXLRLUVLMHHIK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)
SMILES O=C(Nc(c2)cccc2)Nc(c1)cc(Cl)nc1
InChI Key GPXLRLUVLMHHIK-UHFFFAOYSA-N
Molecular Formula C12H10ClN3O
Exact Mass 247.051 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-WA000268
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-(2-chloropyridin-4-yl)-3-phenylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1229826 ChEMBL
    C18604 KEGG Ligand
    245 PDBe
    HY-B1841 MedChemExpress
    ZINC000000402792 ZINC
    HMDB0252436 Human Metabolome Database
    MCULE-6325790412 Mcule
    MEPWUZ CCDC
    J236.162K Nikkaji
    DTXSID1034634 EPA CompTox Dashboard
    81861 ChEBI
    117683422 PubChem: Thomson Pharma
    PD063869 ProbesDrugs
    SCHEMBL119685 SureChEMBL
    68157-60-8 ACToR
    K62IP7463J FDA SRS
    535946 eMolecules
    19360 Brenda
    CB3343940 ChemicalBook
    49228 Brenda
    93379 PubChem
    The data in this table is sourced from UniChem at EBI.