Dataset

Hydroxychloroquine; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL23111012804 contains the MS2 mass spectrum of Hydroxychloroquine with the InChIkey XXSMGPRMXLTPCZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)
SMILES CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO
InChI Key XXSMGPRMXLTPCZ-UHFFFAOYSA-N
Molecular Formula C18H26ClN3O
Exact Mass 335.176 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111012804
Version
Author
Maintainer
Language
MetadataPublished 2023-11-10
Related Molecule
  • 2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01611 drugbank
    CHEBI:5801 chebi
    CHEMBL1535 chembl
    29359553 surechembl
    29430237 surechembl
    8170 surechembl
    3652 pubchem
    4QWG6N8QKH fdasrs
    7198 gtopdb
    PD009448 probes_and_drugs
    239396 brenda
    38397 brenda
    HMDB0015549 hmdb
    Molport-003-847-792 molport
    1395 drugcentral
    50247975 bindingdb
    50467780 bindingdb
    The data in this table is sourced from UniChem at EBI.