Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive (CDB000650)
Spectrum Details
| CDB ID: | CDB000650 |
|---|---|
| Compound Name: | o-Methylacetophenone |
| Derivative IUPAC Name: | 4-(2R)-2-ethylhexyl 1-(2S)-2-ethylhexyl (2R)-2-{[(trimethylsilyl)oxy]sulfonyl}butanedioate |
| Derivative SMILES: | CCCC[C@H](CC)COC(=O)[C@@H](CC(=O)OC[C@H](CC)CCCC)S(=O)(=O)O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=RQGXETURKMPASM-QHAWAJNXSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (1 TMS) - 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
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: | C23H46O7SSi |
| Molecular Weight (Monoisotopic Mass): | 494.273 Da |
| Derivative Type: | 1 TMS |
Notes
Predicted by CFMID-EI, 70eV, fully TMS-derivatized (structure: CCCC[C@H](CC)COC(=O)[C@@H](CC(=O)OC[C@H](CC)CCCC)S(=O)(=O)O[Si](C)(C)C)
Documentation
| Document Description | Download | File Size |
|---|---|---|
| List of m/z values for the spectrum (TXT) | Download file | 743 Bytes |
| mzML formatted file (MZML) | Download file | 4.68 KB |
References
Not Available