Dataset

Droperidol; LC-ESI-QTOF; MS2; CE: 20 eV; R=35000; [M+Na]+

This MassBank record with Accession MSBNK-Athens_Univ-AU120731 contains the MS2 mass spectrum of Droperidol with the InChIkey RMEDXOLNCUSCGS-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)
SMILES c1ccc2c(c1)nc(n2C3=CCN(CC3)CCCC(=O)c4ccc(cc4)F)O
InChI Key RMEDXOLNCUSCGS-UHFFFAOYSA-N
Molecular Formula C22H22FN3O2
Exact Mass 379.170 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU120731
Version
Author
Maintainer
Language
MetadataPublished 2016-02-28
Related Molecule
  • 3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
  • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00450 drugbank
    CHEBI:4717 chebi
    USS rcsb_pdb
    CHEMBL1108 chembl
    29364550 surechembl
    41426 surechembl
    3168 pubchem
    O9U0F09D5X fdasrs
    USS pdbe
    7172 gtopdb
    PD001512 probes_and_drugs
    GIXXOB CCDC
    217393 brenda
    HMDB0014593 hmdb
    DTXSID6022973 comptox
    NCT00209885 clinicaltrials
    NCT00445055 clinicaltrials
    NCT00702442 clinicaltrials
    NCT01432977 clinicaltrials
    NCT01434017 clinicaltrials
    NCT01679093 clinicaltrials
    NCT01942343 clinicaltrials
    NCT02078336 clinicaltrials
    NCT02282956 clinicaltrials
    NCT02744495 clinicaltrials
    NCT03023462 clinicaltrials
    NCT04411069 clinicaltrials
    NCT05065567 clinicaltrials
    NCT05244460 clinicaltrials
    Molport-003-666-341 molport
    966 drugcentral
    50017705 bindingdb
    The data in this table is sourced from UniChem at EBI.