Dataset

Primaquine; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00462 contains the MS2 mass spectrum of Primaquine with the InChIkey INDBQLZJXZLFIT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3
SMILES NCCCC(C)Nc(c1)c(n2)c(ccc2)cc(OC)1
InChI Key INDBQLZJXZLFIT-UHFFFAOYSA-N
Molecular Formula C15H21N3O
Exact Mass 259.168 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-FIO00462
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01087 DrugBank
    CHEMBL506 ChEMBL
    C07627 KEGG Ligand
    229812 Brenda
    71542 BindingDB
    229813 Brenda
    PRIMAQUINE DailyMed
    PRIMAQUINE rxnorm
    PRIMAQUINE PHOSPHATE rxnorm
    PRIMAQUINE clinicaltrials
    J4.316H Nikkaji
    PRIMAQUINE DIPHOSPHATE clinicaltrials
    NEO-QUIPENYL clinicaltrials
    2266 DrugCentral
    PRIMAQUINE PHOSPHATE clinicaltrials
    239398 Brenda
    DTXSID8023509 EPA CompTox Dashboard
    MVR3634GX1 FDA SRS
    CB0875785 ChemicalBook
    4908 PubChem
    14798934 PubChem: Thomson Pharma
    70103121 NMRShiftDB
    PA451103 PharmGKB
    LSM-1649 LINCS
    SCHEMBL22207 SureChEMBL
    90-34-6 ACToR
    PD009815 ProbesDrugs
    1077024 eMolecules
    HMDB0015219 Human Metabolome Database
    9952 Guide to Pharmacology
    primaquine DailyMed
    5715 Brenda
    83785 Brenda
    MCULE-1557087031 Mcule
    8405 ChEBI
    The data in this table is sourced from UniChem at EBI.