Dataset

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

This MassBank record with Accession MSBNK-Univ_Connecticut-CO000168 contains the MS2 mass spectrum of Ephedrine with the InChIkey KWGRBVOPPLSCSI-UHFFFAOYSA-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
SMILES [H]OC([H])(c(c([H])1)c([H])c([H])c([H])c([H])1)C([H])(C([H])([H])[H])N([H])C([H])([H])[H]
InChI Key KWGRBVOPPLSCSI-UHFFFAOYSA-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Univ_Connecticut-CO000168
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 2-(methylamino)-1-phenylpropan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    975520 eMolecules
    5032 PubChem
    MCULE-9848295327 Mcule
    SCHEMBL4369 SureChEMBL
    70102975 NMRShiftDB
    38732-95-5 ACToR
    134-72-5 ACToR
    90-81-3 ACToR
    PD062884 ProbesDrugs
    14748094 PubChem: Thomson Pharma
    299-42-3 ACToR
    53214-57-6 ACToR
    90-82-4 ACToR
    321-98-2 ACToR
    LSM-1633 LINCS
    CHEMBL279157 ChEMBL
    86284 BindingDB
    HMDB0246924 Human Metabolome Database
    J69.045G Nikkaji
    EPHEDR CCDC
    90188 Brenda
    20259 Brenda
    The data in this table is sourced from UniChem at EBI.