Dataset

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

This MassBank record with Accession MSBNK-Waters-WA000412 contains the MS 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 Fc(c4)ccc(c4)C(=O)CCCN(C3)CC=C(C3)N(C(=O)1)c(c2)c(ccc2)N1
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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000412
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
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
    7172 gtopdb
    PD001512 probes_and_drugs
    GIXXOB CCDC
    217393 brenda
    HMDB0014593 hmdb
    Molport-003-666-341 molport
    966 drugcentral
    50017705 bindingdb
    The data in this table is sourced from UniChem at EBI.