Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive (MMDBc0011829)
Spectrum Details
| MiMe ID: | MMDBc0011829 |
|---|---|
| Compound Name: | Polanrazine C |
| Derivative IUPAC Name: | (2R,5R)-5-(methylsulfanyl)-5-(propan-2-yl)-2-{[1-(trimethylsilyl)-1H-indol-3-yl]methyl}-6-[(trimethylsilyl)oxy]-2,5-dihydropyrazine-2,3-diol |
| Derivative SMILES: | CS[C@@]1(C(C)C)N=C(O)[C@](O)(CC2=CN([Si](C)(C)C)C3=CC=CC=C23)N=C1O[Si](C)(C)C |
| Derivative InChIKey: | InChIKey=ALFGZQPATGPPKY-DHIUTWEWSA-N |
| Spectrum Type: | Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 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: | C17H21N3O3S |
| Molecular Weight (Monoisotopic Mass): | 347.1304 Da |
| Derivative Type: | TMS_2_6 |
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 | 777 Bytes |
| mzML formatted file (MZML) | Download file | 4.63 KB |
References