Dataset

4-Desmethyl-trimethoprim; LC-ESI-QTOF; MS2; 60 V

This MassBank record with Accession MSBNK-BAFG-CSL2311107226 contains the MS2 mass spectrum of 4-Desmethyl-trimethoprim with the InChIkey HPOCGNHBIFZCAN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
SMILES COC1=CC(=CC(=C1O)OC)CC2=CN=C(N=C2N)N
InChI Key HPOCGNHBIFZCAN-UHFFFAOYSA-N
Molecular Formula C13H16N4O3
Exact Mass 276.122 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311107226
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MetadataPublished 2023-11-10
Related Molecule
  • 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.