Dataset

Oxamniquine; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

This MassBank record with Accession MSBNK-Fiocruz-FIO00340 contains the MS2 mass spectrum of Oxamniquine with the InChIkey XCGYUJZMCCFSRP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3
SMILES CC(C)NCC(C2)Nc(c1)c(C2)cc(CO)c([N+1]([O-1])=O)1
InChI Key XCGYUJZMCCFSRP-UHFFFAOYSA-N
Molecular Formula C14H21N3O3
Exact Mass 279.158 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-FIO00340
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MetadataPublished 2016-01-19
Related Molecule
  • [7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl]methanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    4612 PubChem
    PD009809 ProbesDrugs
    LSM-6378 LINCS
    14799596 PubChem: Thomson Pharma
    PA164748782 PharmGKB
    21738-42-1 ACToR
    35864027 eMolecules
    HMDB0015228 Human Metabolome Database
    78416 ChEBI
    SCHEMBL44921 SureChEMBL
    HY-10416 MedChemExpress
    CB2505817 ChemicalBook
    0O977R722D FDA SRS
    00BCY677OT FDA SRS
    2009 DrugCentral
    7GIJ138H3K FDA SRS
    OXAMNIQUINE rxnorm
    DTXSID3023398 EPA CompTox Dashboard
    DB01096 DrugBank
    CHEMBL847 ChEMBL
    22395920 PubChem: Drugs of the Future
    C07341 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.