Dataset

Gemfibrozil; LC-ESI-QTOF; MS2; CE: 30 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU269103 contains the MS2 mass spectrum of Gemfibrozil with the InChIkey HEMJJKBWTPKOJG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
SMILES CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1
InChI Key HEMJJKBWTPKOJG-UHFFFAOYSA-N
Molecular Formula C15H22O3
Exact Mass 250.157 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-AU269103
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MetadataPublished 2019-05-30
Related Molecule
  • 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    12013353 PubChem: Drugs of the Future
    DB01241 DrugBank
    CHEMBL457 ChEMBL
    5296 ChEBI
    SAM002564211 NIH Clinical Collection
    C07020 KEGG Ligand
    50110590 BindingDB
    LOPID rxnorm
    GEMFIBROZIL rxnorm
    CI-719 clinicaltrials
    LOPID clinicaltrials
    GEMFIBROZIL clinicaltrials
    HY-B0258 MedChemExpress
    4TX PDBe
    DTXSID0020652 EPA CompTox Dashboard
    1285 DrugCentral
    ZINC000001530641 ZINC
    3439 Guide to Pharmacology
    J40.721F Nikkaji
    XAPVOA CCDC
    GEMFIBROZIL DailyMed
    3463 PubChem
    PD002321 ProbesDrugs
    gemfibrozil Atlas
    Q8X02027X3 FDA SRS
    14798621 PubChem: Thomson Pharma
    LSM-2227 LINCS
    25812-30-0 ACToR
    Gemfibrozil(Lopid) Selleck
    SCHEMBL4813 SureChEMBL
    538915 eMolecules
    MCULE-4563546953 Mcule
    PA449750 PharmGKB
    gemfibrozil DailyMed
    6087 Brenda
    CB9154247 ChemicalBook
    HMDB0015371 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.