Dataset

Mepacrine; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00470 contains the MS2 mass spectrum of Mepacrine with the InChIkey GPKJTRJOBQGKQK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
SMILES CCN(CC)CCCC(C)Nc(c21)c(c3)c(ccc(OC)3)nc(cc(Cl)cc2)1
InChI Key GPKJTRJOBQGKQK-UHFFFAOYSA-N
Molecular Formula C23H30ClN3O
Exact Mass 399.208 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00470
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01103 drugbank
    CHEBI:8711 chebi
    CHEMBL7568 chembl
    19225 surechembl
    29363141 surechembl
    237 pubchem
    H0C805XYDE fdasrs
    10172 gtopdb
    PD009806 probes_and_drugs
    105492 brenda
    107156 brenda
    1593 brenda
    171917 brenda
    29761 brenda
    38969 brenda
    44829 brenda
    5181 brenda
    98049 brenda
    HMDB0015235 hmdb
    Molport-001-739-072 molport
    2338 drugcentral
    50015214 bindingdb
    The data in this table is sourced from UniChem at EBI.