Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive (MMDBc0006683)
Spectrum Details
| MiMe ID: | MMDBc0006683 |
|---|---|
| Compound Name: | Tryprostatin A |
| Derivative IUPAC Name: | (3S,8aS)-3-{[6-methoxy-2-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1-[(trimethylsilyl)oxy]-3H,4H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-4-one |
| Derivative SMILES: | COC1=CC=C2C(C[C@@H]3N=C(O[Si](C)(C)C)[C@@H]4CCCN4C3=O)=C(CC=C(C)C)NC2=C1 |
| Derivative InChIKey: | InChIKey=KCWCFIRIXBOVNM-GOTSBHOMSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_1_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: | C22H27N3O3 |
| Molecular Weight (Monoisotopic Mass): | 381.2052 Da |
| Derivative Type: | TMS_1_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 | 782 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References