Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0003321)
Spectrum Details
| MiMe ID: | MMDBc0003321 |
|---|---|
| Compound Name: | Serratin |
| Derivative IUPAC Name: | (3S,7R)-7-hexyl-5-[(trimethylsilyl)oxy]-3-{[(trimethylsilyl)oxy]methyl}-2,3,6,7-tetrahydro-1,4-oxazepin-2-one |
| Derivative SMILES: | CCCCCC[C@@H]1CC(O[Si](C)(C)C)=N[C@@H](CO[Si](C)(C)C)C(=O)O1 |
| Derivative InChIKey: | InChIKey=WVGTXPVPJSWZLW-CVEARBPZSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_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
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: | C12H21NO4 |
| Molecular Weight (Monoisotopic Mass): | 243.1471 Da |
| Derivative Type: | TMS_2_1 |
Notes
Predicted by CFM-ID 2.0, energy0
Documentation
| Document Description | Download | File Size |
|---|---|---|
| Generated list of m/z values for the spectrum (TSV) | Download file | 771 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References