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
    C11781 KEGG Ligand
    CHEMBL592009 ChEMBL
    J330.682H Nikkaji
    2168 ChEBI
    DTXSID60182154 EPA CompTox Dashboard
    224020 BindingDB
    MTBLC2168 Metabolights
    ZINC000004102204 ZINC
    33916 Brenda
    31754 Brenda
    SCHEMBL7940016 SureChEMBL
    5462507 PubChem
    PD017203 ProbesDrugs
    15049956 PubChem: Thomson Pharma
    2784-73-8 ACToR
    M5E47P1ZCH FDA SRS
    10144098 eMolecules
    The data in this table is sourced from UniChem at EBI.