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
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MetadataPublished 2016-02-28
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    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    3168 PubChem
    PD001512 ProbesDrugs
    O9U0F09D5X FDA SRS
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    536929 eMolecules
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    CB9145418 ChemicalBook
    HMDB0014593 Human Metabolome Database
    DROLEPTAN clinicaltrials
    HY-B1240 MedChemExpress
    INAPSINE clinicaltrials
    DROPERIDOL clinicaltrials
    DROPERIDOL rxnorm
    DROPERIDOL DailyMed
    50017705 BindingDB
    GIXXOB CCDC
    J26.622A Nikkaji
    7172 Guide to Pharmacology
    966 DrugCentral
    DTXSID6022973 EPA CompTox Dashboard
    USS PDBe
    217393 Brenda
    DB00450 DrugBank
    CHEMBL1108 ChEMBL
    4717 ChEBI
    SAM001247013 NIH Clinical Collection
    The data in this table is sourced from UniChem at EBI.