Dataset

Doxapram; LC-ESI-Q; MS; POS; 15 V, 30 V

This MassBank record with Accession MSBNK-Waters-WA000832 contains the MS mass spectrum of Doxapram with the InChIkey XFDJYSQDBULQSI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3
SMILES C(c(c4)cccc4)(c(c3)cccc3)(C(=O)1)C(CCN(C2)CCOC2)CN(CC)1
InChI Key XFDJYSQDBULQSI-UHFFFAOYSA-N
Molecular Formula C24H30N2O2
Exact Mass 378.231 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-Waters-WA000832
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL644504 SureChEMBL
    MCULE-9853713128 Mcule
    HMDB0014701 Human Metabolome Database
    doxapram DailyMed
    3156 PubChem
    PD009963 ProbesDrugs
    15078242 PubChem: Thomson Pharma
    309-29-5 ACToR
    PA164784026 PharmGKB
    LSM-5058 LINCS
    901795 eMolecules
    DOPRAM rxnorm
    DOXAPRAM DailyMed
    STIMULEXIN clinicaltrials
    DOXAPRAM HYDROCHLORIDE clinicaltrials
    DOPRAM clinicaltrials
    DOXAPRAM clinicaltrials
    DOCATONE clinicaltrials
    HY-B0551 MedChemExpress
    94F3830Q73 FDA SRS
    50505297 BindingDB
    DOXAPRAM rxnorm
    DOXAPRAM HYDROCHLORIDE rxnorm
    7169 Guide to Pharmacology
    J5.501H Nikkaji
    953 DrugCentral
    DTXSID2022963 EPA CompTox Dashboard
    CB4245654 ChemicalBook
    DB00561 DrugBank
    CHEMBL1754 ChEMBL
    681848 ChEBI
    The data in this table is sourced from UniChem at EBI.