Dataset

Morphine; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA001093 contains the MS mass spectrum of Morphine with the InChIkey BQJCRHHNABKAKU-KBQPJGBKSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
SMILES CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
InChI Key BQJCRHHNABKAKU-KBQPJGBKSA-N
Molecular Formula C17H19NO3
Exact Mass 285.136 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-WA001093
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00295 drugbank
    CHEBI:17303 chebi
    MOI rcsb_pdb
    CHEMBL70 chembl
    29350575 surechembl
    2997 surechembl
    5288826 pubchem
    76I7G6D29C fdasrs
    MOI pdbe
    PD010118 probes_and_drugs
    MORPIN CCDC
    1050 brenda
    229673 brenda
    229674 brenda
    HMDB0014440 hmdb
    DTXSID9023336 comptox
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    1845 drugcentral
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    The data in this table is sourced from UniChem at EBI.