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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MetadataPublished 2015-09-23
Related Molecule
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    Data-Source Molecule ID Data-Source
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    CHEMBL2105911 ChEMBL
    14825596 PubChem: Thomson Pharma
    PD075275 ProbesDrugs
    9861430 PubChem
    3DE766VIG6 FDA SRS
    SCHEMBL9007835 SureChEMBL
    DTXSID90891424 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.