Dataset

Terbutryn; LC-ESI-QTOF; MS2; 140 V

This MassBank record with Accession MSBNK-BAFG-CSL2311094268 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 CCNc1nc(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
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311094268
Version
Author
Maintainer
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MetadataPublished 2023-11-09
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
    DB08215 drugbank
    MST rcsb_pdb
    CHEMBL1234490 chembl
    20893401 surechembl
    29367562 surechembl
    65395 surechembl
    13450 pubchem
    MST - Ideal conformer pdbe
    PD004636 probes_and_drugs
    CHEBI:44156 chebi
    ZXL474TLFP fdasrs
    HMDB0258830 hmdb
    Molport-003-933-499 molport
    The data in this table is sourced from UniChem at EBI.