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
    CHEMBL7568 ChEMBL
    C07339 KEGG Ligand
    8711 ChEBI
    DB01103 DrugBank
    2338 DrugCentral
    DTXSID7022627 EPA CompTox Dashboard
    H0C805XYDE FDA SRS
    MEPACRINE clinicaltrials
    ATABRINE clinicaltrials
    QUINACRINE HYDROCHLORIDE clinicaltrials
    QUINACRINE clinicaltrials
    QUINACRINE rxnorm
    J3.877F Nikkaji
    50015214 BindingDB
    14781277 PubChem: Thomson Pharma
    10172 Guide to Pharmacology
    171917 Brenda
    1593 Brenda
    5181 Brenda
    38969 Brenda
    29761 Brenda
    HMDB0015235 Human Metabolome Database
    98049 Brenda
    105492 Brenda
    44829 Brenda
    107156 Brenda
    MCULE-3049117865 Mcule
    237 PubChem
    PD009806 ProbesDrugs
    CB7138654 ChemicalBook
    PA164745551 PharmGKB
    LSM-1577 LINCS
    83-89-6 ACToR
    66777-81-9 ACToR
    SCHEMBL19225 SureChEMBL
    27523606 eMolecules
    1221687 eMolecules
    The data in this table is sourced from UniChem at EBI.