Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0053399)
Spectrum Details
| MiMe ID: | MMDBc0053399 |
|---|---|
| Compound Name: | L-Dihydroanticapsin |
| Derivative IUPAC Name: | trimethylsilyl (2S)-2-amino-3-[(1R,2S,5R,6R)-5-[(trimethylsilyl)oxy]-7-oxabicyclo[4.1.0]heptan-2-yl]propanoate |
| Derivative SMILES: | C[Si](C)(C)OC(=O)[C@@H](N)C[C@@H]1CC[C@@H](O[Si](C)(C)C)[C@@H]2O[C@H]12 |
| Derivative InChIKey: | InChIKey=NHUZDTHUXSIZPN-QNSTZXKLSA-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: | C9H15NO4 |
| Molecular Weight (Monoisotopic Mass): | 201.1001 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 | 775 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References