Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive (MMDBc0006788)
Spectrum Details
| MiMe ID: | MMDBc0006788 |
|---|---|
| Compound Name: | Kipukasin J |
| Derivative IUPAC Name: | (2R,3R,4R,5R)-4-(acetyloxy)-5-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-{[(trimethylsilyl)oxy]methyl}oxolan-3-yl 2-methyl-4,6-bis[(trimethylsilyl)oxy]benzoate |
| Derivative SMILES: | CC(=O)O[C@@H]1[C@H](OC(=O)C2=C(C)C=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[C@H]1N1C=CC(=O)N(C)C1=O |
| Derivative InChIKey: | InChIKey=KPMZITOSYWHMRI-UUSJWDGRSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_3_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: | C20H22N2O10 |
| Molecular Weight (Monoisotopic Mass): | 450.1274 Da |
| Derivative Type: | TMS_3_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