Dataset

Fentanyl; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA001015 contains the MS mass spectrum of Fentanyl with the InChIkey PJMPHNIQZUBGLI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
SMILES CCC(=O)N(c(c3)cccc3)C(C1)CCN(CCc(c2)cccc2)C1
InChI Key PJMPHNIQZUBGLI-UHFFFAOYSA-N
Molecular Formula C22H28N2O
Exact Mass 336.220 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-WA001015
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00813 drugbank
    CHEBI:119915 chebi
    7V7 rcsb_pdb
    CHEMBL596 chembl
    8804 surechembl
    3345 pubchem
    UF599785JZ fdasrs
    7V7 - Ideal conformer pdbe
    1626 gtopdb
    PD009706 probes_and_drugs
    UGIYEP CCDC
    229447 brenda
    229448 brenda
    HMDB0014951 hmdb
    1164 drugcentral
    50008984 bindingdb
    The data in this table is sourced from UniChem at EBI.