Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive (MMDBc0014665)
Spectrum Details
| MiMe ID: | MMDBc0014665 |
|---|---|
| Compound Name: | Spirotryprostatin K |
| Derivative IUPAC Name: | (3S,8aS)-3-{[(3S)-6-hydroxy-3-(3-methylbut-2-en-1-yl)-2-[(trimethylsilyl)oxy]-3H-indol-3-yl]methyl}-1-[(trimethylsilyl)oxy]-3H,4H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one |
| Derivative SMILES: | CC(C)=CC[C@@]1(C[C@@H]2N=C(O[Si](C)(C)C)[C@@H]3CCCN3C2=O)C(O[Si](C)(C)C)=NC2=CC(O)=CC=C21 |
| Derivative InChIKey: | InChIKey=LXUNHSZOJBLEAR-WCYRKSIYSA-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: | C21H25N3O4 |
| Molecular Weight (Monoisotopic Mass): | 383.1845 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 | 773 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References