Predicted GC-MS Spectrum - 2,5,9-Trimethyl-11-oxotricyclo[6.3.0.01,5]undec-3-ene-3-carboxylic acid GC-MS (TBDMS_1_1) - 70eV, Positive (HMDB0244375)
Spectrum Details
| HMDB ID: | HMDB0244375 |
|---|---|
| Compound Name: | 2,5,9-Trimethyl-11-oxotricyclo[6.3.0.01,5]undec-3-ene-3-carboxylic acid |
| Derivative IUPAC Name: | Not Available |
| Derivative SMILES: | CC1CC(=O)C23C(C)C(C(=O)O[Si](C)(C)C(C)(C)C)=CC2(C)CCC13 |
| Derivative InChIKey: | Not Available |
| Spectrum Type: | Predicted GC-MS Spectrum - 2,5,9-Trimethyl-11-oxotricyclo[6.3.0.01,5]undec-3-ene-3-carboxylic acid GC-MS (TBDMS_1_1) - 70eV, Positive |
| Splash Key: | Not Available |
| Notes: | This is a predicted spectrum, and it should only be used as a guide. Further evidence is required to confirm identification. |
Spectrum View
Relative Intensity
m/z
Experimental Conditions
| Ionization Mode: | Positive |
|---|---|
| Ionization Energy: | 70 eV |
| Chromatography Type: | Gas Chromatography Column (GC) |
| Instrument Type: | Single quadrupole, spectrum predicted by CFM-ID(EI) |
| Mass Resolution: | 0.0001 Da |
| Molecular Formula: | C15H20O3 |
| Molecular Weight (Monoisotopic Mass): | 248.1412 Da |
| Derivative Type: | TBDMS_1_1 |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CC1CC(=O)C23C(C)C(C(=O)O[Si](C)(C)C(C)(C)C)=CC2(C)CCC13)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 741 Bytes |
| mzML formatted file (MZML) | Download file | 4.66 KB |
References
Not Available