Dataset

2-Hydroxy-2-methylpropiophenone; GC-APCI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU506801 contains the MS2 mass spectrum of 2-Hydroxy-2-methylpropiophenone with the InChIkey XMLYCEVDHLAQEL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H12O2/c1-10(2,12)9(11)8-6-4-3-5-7-8/h3-7,12H,1-2H3
SMILES CC(C)(C(=O)C1=CC=CC=C1)O
InChI Key XMLYCEVDHLAQEL-UHFFFAOYSA-N
Molecular Formula C10H12O2
Exact Mass 164.084 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-AU506801
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MetadataPublished 2021-04-20
Related Molecule
  • 2-hydroxy-2-methyl-1-phenylpropan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J30.899D Nikkaji
    81984 PubChem
    CHEMBL3187850 ChEMBL
    Z0LRG273AD FDA SRS
    126038-32-2 ACToR
    7473-98-5 ACToR
    505172 eMolecules
    SCHEMBL21310 SureChEMBL
    15141018 PubChem: Thomson Pharma
    216274 Brenda
    DTXSID8044830 EPA CompTox Dashboard
    ZINC000000395568 ZINC
    CB0150675 ChemicalBook
    The data in this table is sourced from UniChem at EBI.