Dataset

Ephedrine; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EA275807 contains the MS2 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 c1([C@H]([C@@H](NC)C)O)ccccc1
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA275807
Version
Author
Maintainer
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MetadataPublished 2014-01-14
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
    DB01364 drugbank
    CHEBI:15407 chebi
    CHEMBL211456 chembl
    30411556 surechembl
    4785 surechembl
    9294 pubchem
    GN83C131XS fdasrs
    PD009531 probes_and_drugs
    EPHEDR CCDC
    19817 brenda
    204497 brenda
    247103 brenda
    63172 brenda
    90189 brenda
    HMDB0015451 hmdb
    DTXSID0022985 comptox
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    NCT02522858 clinicaltrials
    NCT02622126 clinicaltrials
    NCT02658721 clinicaltrials
    NCT02713087 clinicaltrials
    NCT03047109 clinicaltrials
    NCT03421860 clinicaltrials
    NCT03704909 clinicaltrials
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    NCT03864094 clinicaltrials
    NCT03984526 clinicaltrials
    NCT04025918 clinicaltrials
    NCT05127876 clinicaltrials
    NCT05497700 clinicaltrials
    NCT05498857 clinicaltrials
    NCT05725031 clinicaltrials
    NCT05873218 clinicaltrials
    NCT05892913 clinicaltrials
    NCT05941494 clinicaltrials
    NCT05993182 clinicaltrials
    NCT06327399 clinicaltrials
    NCT06334549 clinicaltrials
    1024 drugcentral
    50480314 bindingdb
    The data in this table is sourced from UniChem at EBI.