Dataset

Terbutryn; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU286302 contains the MS2 mass spectrum of Terbutryn with the InChIkey IROINLKCQGIITA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
SMILES CCNC1=NC(NC(C)(C)C)=NC(SC)=N1
InChI Key IROINLKCQGIITA-UHFFFAOYSA-N
Molecular Formula C10H19N5S
Exact Mass 241.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU286302
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Maintainer
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MetadataPublished 2019-05-31
Related Molecule
  • 2-N-tert-butyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1234490 ChEMBL
    MST PDBe
    C18811 KEGG Ligand
    DB08215 DrugBank
    SCHEMBL20893401 SureChEMBL
    HMDB0258830 Human Metabolome Database
    HY-B1991 MedChemExpress
    J9.469B Nikkaji
    ZINC000002008092 ZINC
    DTXSID3024318 EPA CompTox Dashboard
    MCULE-7277402178 Mcule
    44156 ChEBI
    13450 PubChem
    CB9412718 ChemicalBook
    PD004636 ProbesDrugs
    ZXL474TLFP FDA SRS
    14847478 PubChem: Thomson Pharma
    SCHEMBL65395 SureChEMBL
    886-50-0 ACToR
    510251 eMolecules
    The data in this table is sourced from UniChem at EBI.