Dataset

Ephedrine; LC-ESI-Q; MS; POS; 75 V, 90 V

This MassBank record with Accession MSBNK-Waters-WA001004 contains the MS mass spectrum of Ephedrine with the InChIkey KWGRBVOPPLSCSI-WPRPVWTQSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1
SMILES CNC(C)C(O)c(c1)cccc1
InChI Key KWGRBVOPPLSCSI-WPRPVWTQSA-N
Molecular Formula C10H15NO
Exact Mass 165.115 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-WA001004
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J9.314I Nikkaji
    247103 Brenda
    EPHEDR CCDC
    MCULE-1217859840 Mcule
    DTXSID0022985 EPA CompTox Dashboard
    1024 DrugCentral
    ZINC000000074836 ZINC
    EPHEDRINE DailyMed
    EPHEDRINE HYDROCHLORIDE clinicaltrials
    EPHEDRINE SULFATE clinicaltrials
    EPHEDRINE HYDROCHLORIDE rxnorm
    EPHEDRINE SULFATE rxnorm
    AKOVAZ rxnorm
    EPHEDRINE clinicaltrials
    EPHEDRINE rxnorm
    CORPHEDRA rxnorm
    15219436 PubChem: Thomson Pharma
    556 Guide to Pharmacology
    15407 ChEBI
    DB01364 DrugBank
    C01575 KEGG Ligand
    CHEMBL211456 ChEMBL
    ephedrine DailyMed
    HMDB0015451 Human Metabolome Database
    90189 Brenda
    63172 Brenda
    19817 Brenda
    204497 Brenda
    PA449466 PharmGKB
    MTBLC15407 Metabolights
    SCHEMBL4785 SureChEMBL
    GN83C131XS FDA SRS
    PD009531 ProbesDrugs
    60032445 NMRShiftDB
    15147083 PubChem: Thomson Pharma
    9294 PubChem
    480929 eMolecules
    The data in this table is sourced from UniChem at EBI.