Dataset

Dextromethorphan; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA001699 contains the MS mass spectrum of Dextromethorphan with the InChIkey MKXZASYAUGDDCJ-NJAFHUGGSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
SMILES COc(c4)cc(c(c4)1)C(C3)(C2)C([H])(CCC3)C(N(C)C2)C1
InChI Key MKXZASYAUGDDCJ-NJAFHUGGSA-N
Molecular Formula C18H25NO
Exact Mass 271.194 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-WA001699
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
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    4NQ rcsb_pdb
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    29949 surechembl
    5360696 pubchem
    7355X3ROTS fdasrs
    4NQ pdbe
    PD009985 probes_and_drugs
    XAPTAK CCDC
    24585 brenda
    DTXSID3022908 comptox
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    842 drugcentral
    50366613 bindingdb
    The data in this table is sourced from UniChem at EBI.