Dataset

Melperon; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU251304 contains the MS2 mass spectrum of Melperon with the InChIkey DKMFBWQBDIGMHM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3
SMILES CC1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1
InChI Key DKMFBWQBDIGMHM-UHFFFAOYSA-N
Molecular Formula C16H22FNO
Exact Mass 263.169 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-AU251304
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MetadataPublished 2019-04-08
Related Molecule
  • 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1531134 ChEMBL
    CB81011889 ChemicalBook
    DB09224 DrugBank
    93626 ChEBI
    DTXSID0023298 EPA CompTox Dashboard
    1677 DrugCentral
    HMDB0254429 Human Metabolome Database
    HY-B2169 MedChemExpress
    METYLPERON rxnorm
    81771 BindingDB
    J22.266F Nikkaji
    MELPERONE clinicaltrials
    ZINC000000001672 ZINC
    J8WA3K39B7 FDA SRS
    LSM-4090 LINCS
    3575-80-2 ACToR
    14750259 PubChem: Thomson Pharma
    PA166301641 PharmGKB
    PD008997 ProbesDrugs
    15387 PubChem
    SCHEMBL146287 SureChEMBL
    The data in this table is sourced from UniChem at EBI.