Dataset

Baquiloprim; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU117803 contains the MS2 mass spectrum of Baquiloprim with the InChIkey AIOWJIMWVFWROP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H20N6/c1-10-7-11(8-12-9-21-17(19)22-16(12)18)13-5-4-6-20-14(13)15(10)23(2)3/h4-7,9H,8H2,1-3H3,(H4,18,19,21,22)
SMILES CC1=CC(=C2C=CC=NC2=C1N(C)C)CC3=CN=C(N=C3N)N
InChI Key AIOWJIMWVFWROP-UHFFFAOYSA-N
Molecular Formula C17H20N6
Exact Mass 308.175 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU117803
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Author
Maintainer
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MetadataPublished 2015-09-23
Related Molecule
  • 5-[[8-(dimethylamino)-7-methylquinolin-5-yl]methyl]pyrimidine-2,4-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL2105911 chembl
    29420867 surechembl
    9007835 surechembl
    9861430 pubchem
    3DE766VIG6 fdasrs
    DB19824 drugbank
    PD075275 probes_and_drugs
    HMDB0248865 hmdb
    Molport-047-917-476 molport
    The data in this table is sourced from UniChem at EBI.