RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0161050 | |
---|---|---|
RefMet name | 2-Methylacetophenone | |
Systematic name | 1-(o-tolyl)ethanone | |
Synonyms | PubChem Synonyms | |
Exact mass | 134.073165 (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 |
Formula | C9H10O | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 204306 (Download molfile/View MW Metabolite Database details) | |
InChI | ||
InChIKey | YXWWHNCQZBVZPV-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | Cc1ccccc1C(=O)C
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Chemical/Biochemical Classification | ||
Super Class | Organic oxygen compounds | |
Main Class | Acetophenones | |
Sub Class | Acetophenones | |
Distribution of 2-Methylacetophenone in NMDR studies | ||
Species | Plot Species distribution | |
Sample source | Plot Sample source(tissue) distribution | |
Studies | NMDR Studies reporting 2-Methylacetophenone | |
External Links | ||
Pubchem CID | 11340 | |
ChEBI ID | 145958 | |
HMDB ID | HMDB0032386 | |
Spectral data for 2-Methylacetophenone standards | ||
MassBank(EU) | View MS spectra | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |