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
Version
Author
Maintainer
Language
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
    7V7 PDBe
    HMDB0014951 Human Metabolome Database
    fentanyl DailyMed
    ZINC000002522669 ZINC
    SCHEMBL8804 SureChEMBL
    14753493 PubChem: Thomson Pharma
    3345 PubChem
    PD009706 ProbesDrugs
    PA449599 PharmGKB
    UF599785JZ FDA SRS
    437-38-7 ACToR
    EN-3267 clinicaltrials
    901881 eMolecules
    CHEMBL596 ChEMBL
    1626 Guide to Pharmacology
    DB00813 DrugBank
    119915 ChEBI
    FENTANYL DailyMed
    ABSTRAL rxnorm
    FENTANYL CITRATE rxnorm
    LAZANDA rxnorm
    ACTIQ rxnorm
    SUBSYS rxnorm
    IONSYS rxnorm
    FENTANYL rxnorm
    FENTANYL HYDROCHLORIDE rxnorm
    FENTORA rxnorm
    DURAGESIC rxnorm
    IONSYS clinicaltrials
    INSTANYL clinicaltrials
    ABSTRAL clinicaltrials
    AD-923 clinicaltrials
    LAZANDA clinicaltrials
    AD 923 clinicaltrials
    N02AB03 clinicaltrials
    ACTIQ clinicaltrials
    PECFENT clinicaltrials
    FENTANYL clinicaltrials
    FENTANYL BUCCAL clinicaltrials
    FENTANYL CII clinicaltrials
    FENTANYL CITRATE clinicaltrials
    FENTANYL HYDROCHLORIDE clinicaltrials
    FENTORA clinicaltrials
    ONSOLIS clinicaltrials
    SUBLIMAZE clinicaltrials
    R-4263 clinicaltrials
    R 4263 clinicaltrials
    EFFENTORA clinicaltrials
    DURAGESIC clinicaltrials
    229448 Brenda
    DTXSID9023049 EPA CompTox Dashboard
    1164 DrugCentral
    J5.736C Nikkaji
    UGIYEP CCDC
    50008984 BindingDB
    229447 Brenda
    The data in this table is sourced from UniChem at EBI.