Dataset

6-Acetylmorphine; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA002831 contains the MS mass spectrum of 6-Acetylmorphine with the InChIkey JJGYGPZNTOPXGV-SSTWWWIQSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
SMILES CC(=O)OC(C=5)C(O2)C(C4)(c13)C([H])(C5)C(N(C)C4)Cc(ccc(O)c23)1
InChI Key JJGYGPZNTOPXGV-SSTWWWIQSA-N
Molecular Formula C19H21NO4
Exact Mass 327.147 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-WA002831
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • [(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:2168 chebi
    CHEMBL592009 chembl
    7940016 surechembl
    5462507 pubchem
    M5E47P1ZCH fdasrs
    PD017203 probes_and_drugs
    31754 brenda
    33916 brenda
    55328 brenda
    224020 bindingdb
    The data in this table is sourced from UniChem at EBI.