Dataset

Methoprotryne; LC-ESI-QFT; MS2; CE: 45%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ01128103 contains the MS2 mass spectrum of Methoprotryne with the InChIkey DDUIUBPJPOKOMV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)
SMILES CC(C)NC1=NC(=NC(=N1)NCCCOC)SC
InChI Key DDUIUBPJPOKOMV-UHFFFAOYSA-N
Molecular Formula C11H21N5OS
Exact Mass 271.147 g/mol

Data and Resources

Metadata Information

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DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01128103
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MetadataPublished 2023-04-27
Related Molecule
  • 4-N-(3-methoxypropyl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82226 chebi
    136002 surechembl
    13290 pubchem
    31X54QGQ17 fdasrs
    Molport-006-112-477 molport
    The data in this table is sourced from UniChem at EBI.