Dataset

PARA METHYL ACETOPHENONE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000199 contains the MS mass spectrum of PARA METHYL ACETOPHENONE with the InChIkey GNKZMNRKLCTJAY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3
SMILES Cc(c1)ccc(c1)C(C)=O
InChI Key GNKZMNRKLCTJAY-UHFFFAOYSA-N
Molecular Formula C9H10O
Exact Mass 134.073 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000199
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-(4-methylphenyl)ethanone
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    8500 PubChem
    SCHEMBL55409 SureChEMBL
    PD158295 ProbesDrugs
    AX66V0KX3Y FDA SRS
    122-00-9 ACToR
    178626 ChEBI
    14818217 PubChem: Thomson Pharma
    527630 eMolecules
    7564 Brenda
    76056 Brenda
    HMDB0032608 Human Metabolome Database
    CB5852945 ChemicalBook
    MCULE-5591471266 Mcule
    10024884 NMRShiftDB
    CHEMBL271871 ChEMBL
    HY-W012653 MedChemExpress
    DTXSID9044374 EPA CompTox Dashboard
    EVUZOK CCDC
    J2.926B Nikkaji
    254796 Brenda
    ZINC000001699969 ZINC
    The data in this table is sourced from UniChem at EBI.