Dataset

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

This MassBank record with Accession MSBNK-Waters-WA000716 contains the MS mass spectrum of Pentazocine with the InChIkey VOKSWYLNZZRQPF-GDIGMMSISA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1
SMILES CC(C)=CCN(C3)C([H])(C1)C([H])(C)C(C)(C3)c(c2)c(ccc(O)2)1
InChI Key VOKSWYLNZZRQPF-GDIGMMSISA-N
Molecular Formula C19H27NO
Exact Mass 285.209 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-WA000716
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:7982 chebi
    CHEMBL560 chembl
    2492 surechembl
    441278 pubchem
    768DQ5A5AI fdasrs
    RP4A60D26L fdasrs
    PD009870 probes_and_drugs
    38373 brenda
    HMDB0014790 hmdb
    The data in this table is sourced from UniChem at EBI.