Dataset

Buflomedil; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA000936 contains the MS mass spectrum of Buflomedil with the InChIkey OWYLAEYXIQKAOL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H25NO4/c1-20-13-11-15(21-2)17(16(12-13)22-3)14(19)7-6-10-18-8-4-5-9-18/h11-12H,4-10H2,1-3H3
SMILES COc(c1)cc(OC)c(C(=O)CCCN(C2)CCC2)c(OC)1
InChI Key OWYLAEYXIQKAOL-UHFFFAOYSA-N
Molecular Formula C17H25NO4
Exact Mass 307.178 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-WA000936
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000000005191 ZINC
    50170664 BindingDB
    BUFLOMEDIL rxnorm
    BUFLOMEDIL clinicaltrials
    94538 ChEBI
    MCULE-5840092627 Mcule
    DTXSID5022697 EPA CompTox Dashboard
    422 DrugCentral
    J11.045K Nikkaji
    HMDB0249429 Human Metabolome Database
    DB13510 DrugBank
    CB8675435 ChemicalBook
    CHEMBL188921 ChEMBL
    SCHEMBL150905 SureChEMBL
    14776428 PubChem: Thomson Pharma
    2467 PubChem
    55837-25-7 ACToR
    V7I71DQ432 FDA SRS
    LSM-5365 LINCS
    PD013131 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.