RefMet Compound Details

Created with Raphaƫl 2.1.0O
RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0161050
RefMet name2-Methylacetophenone
Systematic name1-(o-tolyl)ethanone
SynonymsPubChem Synonyms
Exact mass134.073165 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC9H10OView other entries in RefMet with this formula
Molecular descriptors
Molfile204306 (Download molfile/View MW Metabolite Database details)
InChI
InChIKeyYXWWHNCQZBVZPV-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCc1ccccc1C(=O)C
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic oxygen compounds
Main ClassAcetophenones
Sub ClassAcetophenones
Distribution of 2-Methylacetophenone in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 2-Methylacetophenone
External Links
Pubchem CID11340
ChEBI ID145958
HMDB IDHMDB0032386
Spectral data for 2-Methylacetophenone standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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